*HEADER    METAL BINDING PROTEIN                   30-JUN-05   2CXJ              
*TITLE     3D SOLUTION STRUCTURE OF S100A13                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: S100 CALCIUM-BINDING PROTEIN A13;                          
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 SYNONYM: S100A13;                                                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PLYS                                      
*KEYWDS    S100A13, STRUCTURE, SOLUTION, FGF, NON-CLASSICAL SECRETION,           
*KEYWDS   2 CALCIUM                                                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    S.VAITHIYALINGAM, T.K.S.KUMAR, C.YU                                   
*REVDAT   1   30-JUN-06 2CXJ    0                                                


 ASSI {  900}
   (( segid "AAAA" and resid 45   and name HE22))
   (( segid "BBBB" and resid 8    and name HG2 ))
      3.000     3.000     3.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.21897E-02 ppm1      6.601 ppm2      2.239 CV     1
 ASSI {   85}
   (( segid "AAAA" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      2.400     2.400     3.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10775E-01 ppm1      0.983 ppm2      1.286 CV     1
 ASSI {  176}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 51   and name HG2 ))
      4.200     2.200     1.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.81945E-03 ppm1      1.194 ppm2      1.357 CV     1
 ASSI {  266}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (  segid "AAAA" and resid 38   and name HD% )
      3.400     3.400     2.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.20539E-02 ppm1      1.100 ppm2      7.020 CV     1
 ASSI {  608}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 41   and name HG  ))
      2.500     2.500     3.500 peak   608 spectrum    1 weight  0.10000E+01 volume  0.86321E-02 ppm1      1.369 ppm2      0.988 CV     1
 ASSI {  864}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 41   and name HG  ))
      3.100     3.100     2.900 peak   864 spectrum    1 weight  0.10000E+01 volume  0.24635E-02 ppm1      2.530 ppm2      0.994 CV     1
 ASSI {  900}
   (( segid "AAAA" and resid 45   and name HE22))
   (( segid "BBBB" and resid 8    and name HG2 ))
      3.000     3.000     3.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.21897E-02 ppm1      6.601 ppm2      2.239 CV     1
 ASSI {   85}
   (( segid "AAAA" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      2.400     2.400     3.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.10775E-01 ppm1      0.983 ppm2      1.286 CV     1
 ASSI {  176}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 51   and name HG2 ))
      4.200     2.200     1.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.81945E-03 ppm1      1.194 ppm2      1.357 CV     1
 ASSI {  266}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (  segid "AAAA" and resid 38   and name HD% )
      3.400     3.400     2.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.20539E-02 ppm1      1.100 ppm2      7.020 CV     1
 ASSI {  608}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 41   and name HG  ))
      2.500     2.500     3.500 peak   608 spectrum    1 weight  0.10000E+01 volume  0.86321E-02 ppm1      1.369 ppm2      0.988 CV     1
 ASSI {  864}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 41   and name HG  ))
      3.100     3.100     2.900 peak   864 spectrum    1 weight  0.10000E+01 volume  0.24635E-02 ppm1      2.530 ppm2      0.994 CV     1
!run17noe table
ASSI {  261}
   (( segid "AAAA" and resid 25   and name HN  ))
   (( segid "AAAA" and resid 25   and name HA2 ))
      2.800     1.000     1.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.42546E-02 ppm1      7.462 ppm2      3.853 CV     1
 OR {  261}
   (( segid "BBBB" and resid 25   and name HN  ))
   (( segid "BBBB" and resid 25   and name HA2 ))
 ASSI {  295}
   (( segid "BBBB" and resid 31   and name HN  ))
   (( segid "BBBB" and resid 30   and name HA  ))
      3.400     1.400     1.400 peak   295 spectrum    1 weight  0.10000E+01 volume  0.87364E-03 ppm1      8.276 ppm2      4.372 CV     1
 OR {  295}
   (( segid "AAAA" and resid 31   and name HN  ))
   (( segid "AAAA" and resid 30   and name HA  ))
 ASSI {  299}
   (( segid "AAAA" and resid 31   and name HN  ))
   (( segid "AAAA" and resid 73   and name HB2 ))
      4.200     2.200     1.800 peak   299 spectrum    1 weight  0.10000E+01 volume  0.12985E-02 ppm1      8.290 ppm2      3.005 CV     1
 OR {  299}
   (( segid "BBBB" and resid 31   and name HN  ))
   (( segid "BBBB" and resid 73   and name HB2 ))
 ASSI {  301}
   (( segid "BBBB" and resid 31   and name HN  ))
   (( segid "BBBB" and resid 72   and name HG2 ))
      2.800     1.000     1.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.37148E-02 ppm1      8.269 ppm2      1.719 CV     1
 OR {  301}
   (( segid "AAAA" and resid 31   and name HN  ))
   (( segid "AAAA" and resid 72   and name HG2 ))
 ASSI {  304}
   (( segid "BBBB" and resid 31   and name HN  ))
   (( segid "BBBB" and resid 25   and name HA2 ))
      2.400     2.400     3.600 peak   304 spectrum    1 weight  0.10000E+01 volume  0.86192E-02 ppm1      8.276 ppm2      3.825 CV     1
 OR {  304}
   (( segid "AAAA" and resid 31   and name HN  ))
   (( segid "AAAA" and resid 25   and name HA2 ))
 OR {  304}
   (( segid "BBBB" and resid 31   and name HN  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  304}
   (( segid "AAAA" and resid 31   and name HN  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 OR {  304}
   (( segid "BBBB" and resid 31   and name HN  ))
   (( segid "AAAA" and resid 94   and name HA2 ))
 ASSI {  308}
   (( segid "BBBB" and resid 31   and name HN  ))
   (( segid "BBBB" and resid 32   and name HN  ))
      2.600     0.900     0.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.59132E-02 ppm1      8.276 ppm2      7.025 CV     1
 OR {  308}
   (( segid "AAAA" and resid 31   and name HN  ))
   (( segid "AAAA" and resid 32   and name HN  ))
 ASSI {  533}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 68   and name HA  ))
      3.600     3.600     2.400 peak   533 spectrum    1 weight  0.10000E+01 volume  0.12032E-02 ppm1      7.045 ppm2      4.837 CV     1
 OR {  533}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 68   and name HA  ))
 ASSI {  582}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 97   and name HE2 ))
      3.400     3.400     2.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.14539E-02 ppm1      7.059 ppm2      3.142 CV     1
 OR {  582}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 97   and name HE2 ))
 ASSI {  612}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 43   and name HB  ))
      2.700     0.900     0.900 peak   612 spectrum    1 weight  0.10000E+01 volume  0.62840E-02 ppm1      7.921 ppm2      4.071 CV     1
 OR {  612}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 43   and name HB  ))
 ASSI {  623}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 44   and name HB2 ))
      3.300     1.400     1.400 peak   623 spectrum    1 weight  0.10000E+01 volume  0.25191E-02 ppm1      7.921 ppm2      2.321 CV     1
 OR {  623}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 44   and name HB2 ))
 OR {  623}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 45   and name HG2 ))
 ASSI {  624}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 44   and name HN  ))
      2.200     0.600     0.600 peak   624 spectrum    1 weight  0.10000E+01 volume  0.83610E-02 ppm1      7.927 ppm2      8.447 CV     1
 OR {  624}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 44   and name HN  ))
 ASSI {  628}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 43   and name HA  ))
      2.300     0.700     0.700 peak   628 spectrum    1 weight  0.10000E+01 volume  0.57181E-02 ppm1      7.927 ppm2      3.798 CV     1
 OR {  628}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 43   and name HA  ))
 ASSI {  633}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 42   and name HA  ))
      2.600     0.800     0.800 peak   633 spectrum    1 weight  0.10000E+01 volume  0.44250E-02 ppm1      7.927 ppm2      3.470 CV     1
 OR {  633}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 42   and name HA  ))
 ASSI {  657}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 1    and name HB2 ))
      3.000     1.100     1.100 peak   657 spectrum    1 weight  0.10000E+01 volume  0.42887E-02 ppm1      7.914 ppm2      1.993 CV     1
 OR {  657}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 1    and name HB2 ))
 ASSI {  714}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 61   and name HN  ))
      2.200     0.600     0.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.74636E-02 ppm1      7.797 ppm2      7.162 CV     1
 OR {  714}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 61   and name HN  ))
 ASSI {  718}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 63   and name HN  ))
      2.100     0.600     0.600 peak   718 spectrum    1 weight  0.10000E+01 volume  0.89644E-02 ppm1      7.797 ppm2      7.517 CV     1
 OR {  718}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 63   and name HN  ))
 ASSI {  719}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 61   and name HB2 ))
      2.100     0.500     0.500 peak   719 spectrum    1 weight  0.10000E+01 volume  0.10564E-01 ppm1      7.797 ppm2      1.911 CV     1
 OR {  719}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 61   and name HB2 ))
 ASSI {  723}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 62   and name HB  ))
      2.800     1.000     1.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.22772E-02 ppm1      7.797 ppm2      3.962 CV     1
 OR {  723}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 62   and name HB  ))
 ASSI {  725}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 61   and name HD2 ))
      3.000     1.200     1.200 peak   725 spectrum    1 weight  0.10000E+01 volume  0.50618E-02 ppm1      7.804 ppm2      1.665 CV     1
 OR {  725}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 61   and name HD2 ))
 OR {  725}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 63   and name HB2 ))
 OR {  725}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 63   and name HB2 ))
 ASSI {  728}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 62   and name HA  ))
      3.000     1.100     1.100 peak   728 spectrum    1 weight  0.10000E+01 volume  0.15071E-02 ppm1      7.797 ppm2      4.181 CV     1
 OR {  728}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 62   and name HA  ))
 ASSI {  730}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 62   and name HG1 ))
      2.000     0.500     0.500 peak   730 spectrum    1 weight  0.10000E+01 volume  0.97527E-02 ppm1      7.797 ppm2      1.227 CV     1
 OR {  730}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 ASSI {  742}
   (( segid "AAAA" and resid 67   and name HE22))
   (  segid "AAAA" and resid 73   and name HE% )
      3.600     3.600     2.400 peak   742 spectrum    1 weight  0.10000E+01 volume  0.15987E-02 ppm1      6.847 ppm2      7.107 CV     1
 OR {  742}
   (( segid "BBBB" and resid 67   and name HE22))
   (  segid "BBBB" and resid 73   and name HE% )
 OR {  742}
   (( segid "AAAA" and resid 67   and name HE22))
   (( segid "AAAA" and resid 75   and name HN  ))
 ASSI {  764}
   (( segid "AAAA" and resid 67   and name HE22))
   (( segid "AAAA" and resid 67   and name HG2 ))
      3.400     1.500     1.500 peak   764 spectrum    1 weight  0.10000E+01 volume  0.28731E-02 ppm1      6.840 ppm2      2.294 CV     1
 OR {  764}
   (( segid "BBBB" and resid 67   and name HE22))
   (( segid "BBBB" and resid 67   and name HG2 ))
 ASSI {  772}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 86   and name HB2 ))
      3.500     1.500     1.500 peak   772 spectrum    1 weight  0.10000E+01 volume  0.22484E-02 ppm1      8.679 ppm2      2.102 CV     1
 OR {  772}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 86   and name HB2 ))
 ASSI {  786}
   (( segid "AAAA" and resid 67   and name HE22))
   (( segid "AAAA" and resid 67   and name HA  ))
      4.200     2.200     1.800 peak   786 spectrum    1 weight  0.10000E+01 volume  0.11537E-02 ppm1      6.840 ppm2      3.962 CV     1
 OR {  786}
   (( segid "BBBB" and resid 67   and name HE22))
   (( segid "BBBB" and resid 67   and name HA  ))
 OR {  786}
   (( segid "AAAA" and resid 67   and name HE22))
   (( segid "AAAA" and resid 78   and name HA  ))
 ASSI {  788}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 86   and name HA  ))
      3.200     1.200     1.200 peak   788 spectrum    1 weight  0.10000E+01 volume  0.18075E-02 ppm1      8.700 ppm2      4.099 CV     1
 OR {  788}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {  788}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 5    and name HA  ))
 ASSI {  793}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 6    and name HB2 ))
      2.700     0.900     0.900 peak   793 spectrum    1 weight  0.10000E+01 volume  0.66495E-02 ppm1      8.693 ppm2      1.665 CV     1
 OR {  793}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 6    and name HB2 ))
 OR {  793}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 9    and name HB2 ))
 ASSI {  794}
   (( segid "AAAA" and resid 7    and name HN  ))
   (  segid "AAAA" and resid 7    and name HG2%)
      2.800     0.900     0.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.70234E-02 ppm1      8.693 ppm2      1.391 CV     1
 OR {  794}
   (( segid "BBBB" and resid 7    and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
 ASSI {  800}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 6    and name HA  ))
      2.200     0.600     0.600 peak   800 spectrum    1 weight  0.10000E+01 volume  0.73574E-02 ppm1      8.686 ppm2      4.372 CV     1
 OR {  800}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 6    and name HA  ))
 ASSI {  817}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 46   and name HB2 ))
      3.300     1.400     1.400 peak   817 spectrum    1 weight  0.10000E+01 volume  0.32209E-02 ppm1      8.303 ppm2      1.665 CV     1
 OR {  817}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 46   and name HB2 ))
 ASSI {  822}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   822 spectrum    1 weight  0.10000E+01 volume  0.18070E-02 ppm1      8.303 ppm2      3.442 CV     1
 OR {  822}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 42   and name HA  ))
 OR {  822}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 46   and name HA  ))
 ASSI {  826}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 46   and name HN  ))
      2.200     0.600     0.600 peak   826 spectrum    1 weight  0.10000E+01 volume  0.88710E-02 ppm1      8.303 ppm2      7.298 CV     1
 OR {  826}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 46   and name HN  ))
 ASSI {  828}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 44   and name HA  ))
      2.800     1.000     1.000 peak   828 spectrum    1 weight  0.10000E+01 volume  0.32286E-02 ppm1      8.310 ppm2      4.263 CV     1
 OR {  828}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 44   and name HA  ))
 OR {  828}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 41   and name HA  ))
 ASSI {  830}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 45   and name HG2 ))
      2.500     0.800     0.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.76350E-02 ppm1      8.303 ppm2      2.294 CV     1
 OR {  830}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 45   and name HG2 ))
 ASSI {  836}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      3.300     3.300     2.700 peak   836 spectrum    1 weight  0.10000E+01 volume  0.39599E-02 ppm1      8.303 ppm2      2.540 CV     1
 OR {  836}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 ASSI {  841}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 46   and name HG  ))
      3.300     1.400     1.400 peak   841 spectrum    1 weight  0.10000E+01 volume  0.24078E-02 ppm1      8.303 ppm2      1.446 CV     1
 OR {  841}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 46   and name HG  ))
 ASSI {  858}
   (( segid "BBBB" and resid 74   and name HN  ))
   (( segid "BBBB" and resid 76   and name HA  ))
      2.700     2.700     3.300 peak   858 spectrum    1 weight  0.10000E+01 volume  0.93609E-02 ppm1      8.932 ppm2      4.071 CV     1
 OR {  858}
   (( segid "AAAA" and resid 74   and name HN  ))
   (( segid "AAAA" and resid 76   and name HA  ))
 ASSI {  871}
   (( segid "BBBB" and resid 74   and name HN  ))
   (  segid "BBBB" and resid 73   and name HD% )
      2.500     0.800     0.800 peak   871 spectrum    1 weight  0.10000E+01 volume  0.33277E-02 ppm1      8.932 ppm2      6.560 CV     1
 OR {  871}
   (( segid "AAAA" and resid 74   and name HN  ))
   (  segid "AAAA" and resid 73   and name HD% )
 ASSI {  878}
   (( segid "BBBB" and resid 74   and name HN  ))
   (( segid "BBBB" and resid 75   and name HN  ))
      2.400     0.700     0.700 peak   878 spectrum    1 weight  0.10000E+01 volume  0.39164E-02 ppm1      8.926 ppm2      7.080 CV     1
 OR {  878}
   (( segid "AAAA" and resid 74   and name HN  ))
   (( segid "AAAA" and resid 75   and name HN  ))
 ASSI {  882}
   (( segid "AAAA" and resid 45   and name HE22))
   (( segid "AAAA" and resid 41   and name HB2 ))
      3.800     1.800     1.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.15882E-02 ppm1      6.601 ppm2      1.610 CV     1
 OR {  882}
   (( segid "BBBB" and resid 45   and name HE22))
   (( segid "BBBB" and resid 41   and name HB2 ))
 ASSI {  900}
   (( segid "AAAA" and resid 45   and name HE22))
   (( segid "BBBB" and resid 8    and name HG2 ))
      3.200     3.200     2.800 peak   900 spectrum    1 weight  0.10000E+01 volume  0.28096E-02 ppm1      6.601 ppm2      2.239 CV     1
 ASSI {  913}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 45   and name HA  ))
      2.700     0.900     0.900 peak   913 spectrum    1 weight  0.10000E+01 volume  0.33820E-02 ppm1      8.303 ppm2      4.646 CV     1
 OR {  913}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 45   and name HA  ))
 ASSI {  922}
   (( segid "AAAA" and resid 45   and name HE21))
   (( segid "BBBB" and resid 1    and name HB2 ))
      3.400     3.400     2.600 peak   922 spectrum    1 weight  0.10000E+01 volume  0.18327E-02 ppm1      7.633 ppm2      1.993 CV     1
 ASSI {  971}
   (( segid "AAAA" and resid 67   and name HN  ))
   (( segid "AAAA" and resid 68   and name HN  ))
      2.600     0.800     0.800 peak   971 spectrum    1 weight  0.10000E+01 volume  0.44065E-02 ppm1      7.777 ppm2      8.365 CV     1
 OR {  971}
   (( segid "BBBB" and resid 67   and name HN  ))
   (( segid "BBBB" and resid 68   and name HN  ))
 ASSI {  977}
   (( segid "AAAA" and resid 67   and name HN  ))
   (( segid "AAAA" and resid 69   and name HN  ))
      3.200     1.300     1.300 peak   977 spectrum    1 weight  0.10000E+01 volume  0.17925E-02 ppm1      7.763 ppm2     10.361 CV     1
 OR {  977}
   (( segid "BBBB" and resid 67   and name HN  ))
   (( segid "BBBB" and resid 69   and name HN  ))
 ASSI {  979}
   (( segid "BBBB" and resid 67   and name HN  ))
   (( segid "BBBB" and resid 65   and name HB  ))
      3.200     1.300     1.300 peak   979 spectrum    1 weight  0.10000E+01 volume  0.27539E-02 ppm1      7.784 ppm2      2.212 CV     1
 OR {  979}
   (( segid "AAAA" and resid 67   and name HN  ))
   (( segid "AAAA" and resid 65   and name HB  ))
 ASSI {  988}
   (( segid "BBBB" and resid 66   and name HN  ))
   (( segid "BBBB" and resid 66   and name HA  ))
      2.400     0.700     0.700 peak   988 spectrum    1 weight  0.10000E+01 volume  0.85146E-02 ppm1      7.852 ppm2      4.810 CV     1
 OR {  988}
   (( segid "AAAA" and resid 66   and name HN  ))
   (( segid "AAAA" and resid 66   and name HA  ))
 ASSI {  998}
   (( segid "BBBB" and resid 66   and name HN  ))
   (( segid "BBBB" and resid 66   and name HB2 ))
      2.500     0.800     0.800 peak   998 spectrum    1 weight  0.10000E+01 volume  0.41727E-02 ppm1      7.852 ppm2      3.224 CV     1
 OR {  998}
   (( segid "AAAA" and resid 66   and name HN  ))
   (( segid "AAAA" and resid 66   and name HB2 ))
 ASSI { 1014}
   (( segid "AAAA" and resid 5    and name HN  ))
   (( segid "BBBB" and resid 51   and name HG2 ))
      2.700     0.900     0.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.43951E-02 ppm1      7.907 ppm2      1.337 CV     1
 OR { 1014}
   (( segid "BBBB" and resid 5    and name HN  ))
   (( segid "AAAA" and resid 51   and name HG2 ))
 ASSI { 1031}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 38   and name HB2 ))
      2.900     2.900     3.100 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.14541E-02 ppm1     10.368 ppm2      3.060 CV     1
 OR { 1031}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 38   and name HB2 ))
 OR { 1031}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 85   and name HE2 ))
 OR { 1031}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 85   and name HE2 ))
 ASSI { 1032}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 68   and name HN  ))
      2.200     0.600     0.600 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.10262E-01 ppm1     10.368 ppm2      8.365 CV     1
 OR { 1032}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 68   and name HN  ))
 ASSI { 1037}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 69   and name HB2 ))
      2.400     0.700     0.700 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.50204E-02 ppm1     10.375 ppm2      3.962 CV     1
 OR { 1037}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 69   and name HB2 ))
 ASSI { 1039}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 20   and name HN  ))
      2.300     0.700     0.700 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.54274E-02 ppm1      7.312 ppm2      6.998 CV     1
 OR { 1039}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 20   and name HN  ))
 ASSI { 1041}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 82   and name HG2 ))
      2.900     2.900     3.100 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.32799E-02 ppm1     10.368 ppm2      2.266 CV     1
 OR { 1041}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
 OR { 1041}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 OR { 1041}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 OR { 1041}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 67   and name HG2 ))
 OR { 1041}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 67   and name HG2 ))
 ASSI { 1042}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 70   and name HN  ))
      2.300     0.700     0.700 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.82694E-02 ppm1     10.368 ppm2      7.572 CV     1
 OR { 1042}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 70   and name HN  ))
 ASSI { 1043}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 68   and name HA  ))
      2.700     0.900     0.900 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.34337E-02 ppm1     10.368 ppm2      4.810 CV     1
 OR { 1043}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 68   and name HA  ))
 OR { 1043}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 66   and name HA  ))
 ASSI { 1044}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 67   and name HN  ))
      3.000     1.100     1.100 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.23871E-02 ppm1     10.368 ppm2      7.763 CV     1
 OR { 1044}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 67   and name HN  ))
 ASSI { 1047}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 17   and name HA  ))
      3.000     1.100     1.100 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.24335E-02 ppm1      7.319 ppm2      4.126 CV     1
 OR { 1047}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 17   and name HA  ))
 ASSI { 1048}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 21   and name HB2 ))
      2.200     0.600     0.600 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.60164E-02 ppm1      7.312 ppm2      3.278 CV     1
 OR { 1048}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 21   and name HB2 ))
 ASSI { 1050}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
      2.900     2.900     3.100 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.39801E-02 ppm1     10.368 ppm2      3.661 CV     1
 OR { 1050}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 32   and name HB2 ))
 OR { 1050}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 24   and name HA  ))
 ASSI { 1055}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 21   and name HA  ))
      2.400     0.700     0.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.73869E-02 ppm1      7.326 ppm2      3.825 CV     1
 OR { 1055}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 21   and name HA  ))
 OR { 1055}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 82   and name HA  ))
 OR { 1055}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 82   and name HA  ))
 ASSI { 1057}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 17   and name HB  ))
      3.300     1.400     1.400 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.39650E-02 ppm1      7.326 ppm2      2.266 CV     1
 OR { 1057}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 17   and name HB  ))
 OR { 1057}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 8    and name HG2 ))
 OR { 1057}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 8    and name HG2 ))
 ASSI { 1059}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 78   and name HG2 ))
      3.900     1.900     1.900 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.12572E-02 ppm1     10.361 ppm2      1.501 CV     1
 OR { 1059}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 78   and name HG2 ))
 OR { 1059}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 79   and name HG  ))
 OR { 1059}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 79   and name HG  ))
 ASSI { 1066}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 84   and name HN  ))
      2.300     0.700     0.700 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.65586E-02 ppm1      7.333 ppm2      8.666 CV     1
 OR { 1066}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 84   and name HN  ))
 ASSI { 1090}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 8    and name HB2 ))
      3.100     1.200     1.200 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.34128E-02 ppm1      7.339 ppm2      2.075 CV     1
 OR { 1090}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 82   and name HB2 ))
 OR { 1090}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 82   and name HB2 ))
 ASSI { 1098}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 83   and name HG  ))
      2.900     2.900     3.100 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.67599E-02 ppm1      7.346 ppm2      1.419 CV     1
 OR { 1098}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 OR { 1098}
   (( segid "AAAA" and resid 85   and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
 OR { 1098}
   (( segid "BBBB" and resid 85   and name HN  ))
   (  segid "AAAA" and resid 7    and name HG2%)
 OR { 1098}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 80   and name HB  ))
 ASSI { 1123}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      2.300     0.700     0.700 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.70845E-02 ppm1      8.768 ppm2      4.454 CV     1
 OR { 1123}
   (( segid "BBBB" and resid 35   and name HN  ))
   (( segid "BBBB" and resid 35   and name HA  ))
 OR { 1123}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 36   and name HA  ))
 ASSI { 1128}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 35   and name HB  ))
      2.400     2.400     3.600 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.10518E-01 ppm1      8.768 ppm2      1.993 CV     1
 OR { 1128}
   (( segid "BBBB" and resid 35   and name HN  ))
   (( segid "BBBB" and resid 35   and name HB  ))
 ASSI { 1130}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 37   and name HN  ))
      3.100     3.100     2.900 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.51745E-02 ppm1      9.773 ppm2      8.529 CV     1
 OR { 1130}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 37   and name HN  ))
 ASSI { 1131}
   (( segid "BBBB" and resid 35   and name HN  ))
   (( segid "BBBB" and resid 34   and name HB2 ))
      2.500     0.800     0.800 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.60524E-02 ppm1      8.768 ppm2      3.442 CV     1
 OR { 1131}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 34   and name HB2 ))
 ASSI { 1144}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 79   and name HG  ))
      2.800     2.800     3.200 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.65113E-02 ppm1      7.592 ppm2      1.501 CV     1
 OR { 1144}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 79   and name HG  ))
 OR { 1144}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR { 1144}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 71   and name HG  ))
 OR { 1144}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 78   and name HG2 ))
 ASSI { 1167}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 25   and name HN  ))
      3.100     1.200     1.200 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.26424E-02 ppm1      9.787 ppm2      7.435 CV     1
 OR { 1167}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 25   and name HN  ))
 ASSI { 1174}
   (( segid "BBBB" and resid 35   and name HN  ))
   (( segid "BBBB" and resid 27   and name HG2 ))
      2.700     2.700     3.300 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.19685E-02 ppm1      8.768 ppm2      2.212 CV     1
 OR { 1174}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 27   and name HG2 ))
 OR { 1174}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 40   and name HB2 ))
 OR { 1174}
   (( segid "BBBB" and resid 35   and name HN  ))
   (( segid "BBBB" and resid 40   and name HB2 ))
 ASSI { 1183}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 27   and name HB2 ))
      4.200     2.200     1.800 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.47400E-03 ppm1      9.780 ppm2      1.774 CV     1
 OR { 1183}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 27   and name HB2 ))
 ASSI { 1191}
   (( segid "BBBB" and resid 48   and name HN  ))
   (( segid "BBBB" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.63171E-02 ppm1      9.746 ppm2      4.482 CV     1
 OR { 1191}
   (( segid "AAAA" and resid 48   and name HN  ))
   (( segid "AAAA" and resid 48   and name HA  ))
 ASSI { 1193}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 33   and name HN  ))
      3.300     3.300     2.700 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.15419E-02 ppm1      9.794 ppm2      9.158 CV     1
 OR { 1193}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 33   and name HN  ))
 ASSI { 1199}
   (( segid "AAAA" and resid 44   and name HN  ))
   (( segid "AAAA" and resid 44   and name HA  ))
      2.500     0.800     0.800 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.64723E-02 ppm1      8.447 ppm2      4.263 CV     1
 OR { 1199}
   (( segid "BBBB" and resid 44   and name HN  ))
   (( segid "BBBB" and resid 44   and name HA  ))
 ASSI { 1200}
   (( segid "BBBB" and resid 48   and name HN  ))
   (( segid "AAAA" and resid 5    and name HN  ))
      2.700     2.700     3.300 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.85070E-02 ppm1      9.746 ppm2      7.900 CV     1
 OR { 1200}
   (( segid "AAAA" and resid 48   and name HN  ))
   (( segid "BBBB" and resid 5    and name HN  ))
 ASSI { 1204}
   (( segid "AAAA" and resid 48   and name HN  ))
   (( segid "AAAA" and resid 50   and name HN  ))
      3.300     3.300     2.700 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.34433E-02 ppm1      9.746 ppm2      7.763 CV     1
 OR { 1204}
   (( segid "BBBB" and resid 48   and name HN  ))
   (( segid "BBBB" and resid 50   and name HN  ))
 ASSI { 1212}
   (( segid "BBBB" and resid 80   and name HN  ))
   (( segid "BBBB" and resid 79   and name HN  ))
      2.400     0.700     0.700 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.41806E-02 ppm1      7.497 ppm2      6.888 CV     1
 OR { 1212}
   (( segid "AAAA" and resid 80   and name HN  ))
   (( segid "AAAA" and resid 79   and name HN  ))
 ASSI { 1219}
   (( segid "AAAA" and resid 80   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
      2.800     1.000     1.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.25024E-02 ppm1      7.510 ppm2      3.224 CV     1
 OR { 1219}
   (( segid "BBBB" and resid 80   and name HN  ))
   (( segid "BBBB" and resid 80   and name HA  ))
 ASSI { 1221}
   (( segid "BBBB" and resid 80   and name HN  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
      3.000     1.200     1.200 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.26375E-02 ppm1      7.490 ppm2      2.294 CV     1
 OR { 1221}
   (( segid "AAAA" and resid 80   and name HN  ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 ASSI { 1269}
   (( segid "AAAA" and resid 50   and name HN  ))
   (( segid "AAAA" and resid 51   and name HN  ))
      2.400     0.700     0.700 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.66811E-02 ppm1      7.777 ppm2      7.107 CV     1
 OR { 1269}
   (( segid "BBBB" and resid 50   and name HN  ))
   (( segid "BBBB" and resid 51   and name HN  ))
 ASSI { 1280}
   (( segid "AAAA" and resid 50   and name HN  ))
   (( segid "AAAA" and resid 89   and name HD2 ))
      2.900     2.900     3.100 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.41364E-02 ppm1      7.784 ppm2      1.555 CV     1
 OR { 1280}
   (( segid "BBBB" and resid 50   and name HN  ))
   (( segid "BBBB" and resid 89   and name HD2 ))
 ASSI { 1295}
   (( segid "BBBB" and resid 23   and name HN  ))
   (( segid "BBBB" and resid 23   and name HA  ))
      2.900     1.000     1.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.27321E-02 ppm1      7.421 ppm2      3.962 CV     1
 OR { 1295}
   (( segid "AAAA" and resid 23   and name HN  ))
   (( segid "AAAA" and resid 23   and name HA  ))
 ASSI { 1303}
   (( segid "BBBB" and resid 50   and name HN  ))
   (( segid "BBBB" and resid 49   and name HA  ))
      4.000     2.100     1.100 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.37589E-02 ppm1      7.777 ppm2      4.208 CV     1
 OR { 1303}
   (( segid "AAAA" and resid 50   and name HN  ))
   (( segid "AAAA" and resid 49   and name HA  ))
 ASSI { 1306}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 38   and name HB2 ))
      2.700     0.900     0.900 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.68316E-02 ppm1      8.413 ppm2      3.060 CV     1
 OR { 1306}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 38   and name HB2 ))
 ASSI { 1309}
   (( segid "AAAA" and resid 52   and name HN  ))
   (( segid "AAAA" and resid 51   and name HN  ))
      2.700     0.900     0.900 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.87276E-02 ppm1      8.399 ppm2      7.107 CV     1
 OR { 1309}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 51   and name HN  ))
 OR { 1309}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 36   and name HN  ))
 OR { 1309}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 36   and name HN  ))
 OR { 1309}
   (( segid "BBBB" and resid 39   and name HN  ))
   (  segid "BBBB" and resid 20   and name HE% )
 ASSI { 1315}
   (( segid "AAAA" and resid 52   and name HN  ))
   (( segid "AAAA" and resid 52   and name HB2 ))
      3.800     1.800     1.800 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.44121E-03 ppm1      8.399 ppm2      2.759 CV     1
 OR { 1315}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 52   and name HB2 ))
 ASSI { 1317}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      2.300     0.700     0.700 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.82574E-02 ppm1      8.399 ppm2      1.309 CV     1
 OR { 1317}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 ASSI { 1322}
   (( segid "AAAA" and resid 52   and name HN  ))
   (( segid "AAAA" and resid 51   and name HA  ))
      2.300     0.700     0.700 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.62076E-02 ppm1      8.392 ppm2      3.989 CV     1
 OR { 1322}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 51   and name HA  ))
 OR { 1322}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 39   and name HA  ))
 OR { 1322}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 39   and name HA  ))
 ASSI { 1323}
   (( segid "BBBB" and resid 93   and name HN  ))
   (( segid "BBBB" and resid 93   and name HB2 ))
      2.500     0.800     0.800 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.44560E-02 ppm1      7.545 ppm2      1.665 CV     1
 OR { 1323}
   (( segid "AAAA" and resid 93   and name HN  ))
   (( segid "AAAA" and resid 93   and name HB2 ))
 ASSI { 1330}
   (( segid "AAAA" and resid 93   and name HN  ))
   (( segid "AAAA" and resid 92   and name HN  ))
      2.100     0.500     0.500 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.10691E-01 ppm1      7.565 ppm2      8.064 CV     1
 OR { 1330}
   (( segid "BBBB" and resid 93   and name HN  ))
   (( segid "BBBB" and resid 92   and name HN  ))
 ASSI { 1331}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 86   and name HB2 ))
      3.200     1.300     1.300 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.39030E-02 ppm1      7.880 ppm2      2.130 CV     1
 OR { 1331}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 86   and name HB2 ))
 ASSI { 1333}
   (( segid "AAAA" and resid 24   and name HN  ))
   (( segid "AAAA" and resid 23   and name HN  ))
      2.900     1.100     1.100 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.17777E-02 ppm1      8.488 ppm2      7.435 CV     1
 OR { 1333}
   (( segid "BBBB" and resid 24   and name HN  ))
   (( segid "BBBB" and resid 23   and name HN  ))
 OR { 1333}
   (( segid "AAAA" and resid 24   and name HN  ))
   (( segid "AAAA" and resid 25   and name HN  ))
 OR { 1333}
   (( segid "BBBB" and resid 24   and name HN  ))
   (( segid "BBBB" and resid 25   and name HN  ))
 ASSI { 1335}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 11   and name HN  ))
      2.700     0.900     0.900 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.41317E-02 ppm1      7.880 ppm2      9.240 CV     1
 OR { 1335}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 11   and name HN  ))
 ASSI { 1337}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 9    and name HN  ))
      2.300     0.700     0.700 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.48875E-02 ppm1      7.880 ppm2      8.638 CV     1
 OR { 1337}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 9    and name HN  ))
 ASSI { 1339}
   (( segid "AAAA" and resid 24   and name HN  ))
   (( segid "AAAA" and resid 24   and name HA  ))
      2.500     0.800     0.800 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.63810E-02 ppm1      8.481 ppm2      3.689 CV     1
 OR { 1339}
   (( segid "BBBB" and resid 24   and name HN  ))
   (( segid "BBBB" and resid 24   and name HA  ))
 ASSI { 1341}
   (( segid "AAAA" and resid 68   and name HN  ))
   (( segid "AAAA" and resid 67   and name HN  ))
      2.200     0.600     0.600 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.10526E-01 ppm1      8.385 ppm2      7.763 CV     1
 OR { 1341}
   (( segid "BBBB" and resid 68   and name HN  ))
   (( segid "BBBB" and resid 67   and name HN  ))
 ASSI { 1351}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 78   and name HB2 ))
      2.200     0.600     0.600 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.52303E-02 ppm1      7.251 ppm2      1.966 CV     1
 OR { 1351}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 78   and name HB2 ))
 ASSI { 1356}
   (( segid "BBBB" and resid 83   and name HN  ))
   (( segid "BBBB" and resid 84   and name HA  ))
      3.300     1.400     1.400 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.26683E-02 ppm1      8.030 ppm2      3.552 CV     1
 OR { 1356}
   (( segid "AAAA" and resid 83   and name HN  ))
   (( segid "AAAA" and resid 84   and name HA  ))
 OR { 1356}
   (( segid "AAAA" and resid 83   and name HN  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR { 1356}
   (( segid "BBBB" and resid 83   and name HN  ))
   (( segid "AAAA" and resid 84   and name HA  ))
 ASSI { 1358}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 10   and name HA  ))
      2.500     0.800     0.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.32375E-02 ppm1      7.886 ppm2      3.689 CV     1
 OR { 1358}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
 ASSI { 1363}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 8    and name HG2 ))
      2.900     2.900     3.100 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.41291E-02 ppm1      7.880 ppm2      2.266 CV     1
 OR { 1363}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 90   and name HG2 ))
 OR { 1363}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 90   and name HG2 ))
 ASSI { 1365}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 77   and name HN  ))
      2.400     0.700     0.700 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.42238E-02 ppm1      7.244 ppm2      9.295 CV     1
 OR { 1365}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 77   and name HN  ))
 ASSI { 1366}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 77   and name HA  ))
      3.000     1.100     1.100 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.16305E-02 ppm1      7.251 ppm2      3.743 CV     1
 OR { 1366}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 77   and name HA  ))
 ASSI { 1370}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 78   and name HG2 ))
      2.400     0.700     0.700 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.44381E-02 ppm1      7.244 ppm2      1.555 CV     1
 OR { 1370}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 78   and name HG2 ))
 ASSI { 1371}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 78   and name HA  ))
      2.300     0.600     0.600 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.98516E-02 ppm1      7.251 ppm2      3.989 CV     1
 OR { 1371}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 78   and name HA  ))
 ASSI { 1373}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 79   and name HN  ))
      2.200     0.600     0.600 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.63090E-02 ppm1      7.251 ppm2      6.888 CV     1
 OR { 1373}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 79   and name HN  ))
 ASSI { 1377}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 75   and name HA  ))
      2.800     1.000     1.000 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.30998E-02 ppm1      7.244 ppm2      4.400 CV     1
 OR { 1377}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 75   and name HA  ))
 ASSI { 1381}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 77   and name HB2 ))
      2.800     1.000     1.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.41275E-02 ppm1      7.251 ppm2      3.032 CV     1
 OR { 1381}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 77   and name HB2 ))
 ASSI { 1384}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 61   and name HN  ))
      2.300     0.700     0.700 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.68865E-02 ppm1      8.242 ppm2      7.162 CV     1
 OR { 1384}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 61   and name HN  ))
 ASSI { 1388}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 94   and name HN  ))
      2.200     0.600     0.600 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.10644E-01 ppm1      7.565 ppm2      7.818 CV     1
 OR { 1388}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 94   and name HN  ))
 ASSI { 1399}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 60   and name HA  ))
      2.400     0.700     0.700 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.70525E-02 ppm1      8.242 ppm2      3.306 CV     1
 OR { 1399}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 60   and name HA  ))
 ASSI { 1405}
   (( segid "AAAA" and resid 78   and name HN  ))
   (  segid "AAAA" and resid 76   and name HE% )
      4.000     2.000     2.000 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.15566E-02 ppm1      7.230 ppm2      6.697 CV     1
 OR { 1405}
   (( segid "BBBB" and resid 78   and name HN  ))
   (  segid "BBBB" and resid 76   and name HE% )
 ASSI { 1409}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 74   and name HA  ))
      3.400     1.400     1.400 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.80879E-03 ppm1      7.579 ppm2      4.044 CV     1
 OR { 1409}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 74   and name HA  ))
 OR { 1409}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 95   and name HA  ))
 OR { 1409}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 95   and name HA  ))
 ASSI { 1411}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 97   and name HE2 ))
      3.500     3.500     2.500 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.17891E-02 ppm1      7.572 ppm2      3.142 CV     1
 OR { 1411}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 97   and name HE2 ))
 ASSI { 1418}
   (( segid "BBBB" and resid 20   and name HN  ))
   (  segid "AAAA" and resid 7    and name HG2%)
      3.600     3.600     2.400 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.29669E-02 ppm1      7.018 ppm2      1.419 CV     1
 OR { 1418}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 OR { 1418}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 OR { 1418}
   (( segid "AAAA" and resid 20   and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
 ASSI { 1435}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
      3.000     3.000     3.000 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.59393E-02 ppm1      7.230 ppm2      3.224 CV     1
 OR { 1435}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 80   and name HA  ))
 ASSI { 1445}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 21   and name HB2 ))
      2.500     0.800     0.800 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.45563E-02 ppm1      8.748 ppm2      3.278 CV     1
 OR { 1445}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 21   and name HB2 ))
 ASSI { 1451}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      2.700     0.900     0.900 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.44140E-02 ppm1      9.226 ppm2      4.454 CV     1
 OR { 1451}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 35   and name HA  ))
 ASSI { 1454}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 37   and name HN  ))
      2.300     0.700     0.700 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.53481E-02 ppm1      9.226 ppm2      8.529 CV     1
 OR { 1454}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 37   and name HN  ))
 ASSI { 1459}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 14   and name HN  ))
      2.300     0.700     0.700 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.73382E-02 ppm1      8.926 ppm2      8.365 CV     1
 OR { 1459}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 14   and name HN  ))
 ASSI { 1462}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 20   and name HB2 ))
      2.700     2.700     3.300 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.48531E-02 ppm1      8.748 ppm2      3.060 CV     1
 ASSI { 1466}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 39   and name HN  ))
      2.300     0.600     0.600 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.62064E-02 ppm1      9.226 ppm2      8.420 CV     1
 OR { 1466}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 39   and name HN  ))
 ASSI { 1467}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 16   and name HA  ))
      3.800     1.800     1.800 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.14685E-02 ppm1      7.025 ppm2      3.798 CV     1
 OR { 1467}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 16   and name HA  ))
 ASSI { 1468}
   (( segid "AAAA" and resid 53   and name HN  ))
   (( segid "AAAA" and resid 53   and name HA  ))
      2.400     0.700     0.700 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.63641E-02 ppm1      7.579 ppm2      3.825 CV     1
 OR { 1468}
   (( segid "BBBB" and resid 53   and name HN  ))
   (( segid "BBBB" and resid 53   and name HA  ))
 OR { 1468}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 OR { 1468}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 ASSI { 1472}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 15   and name HA  ))
      2.300     0.700     0.700 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.96984E-02 ppm1      8.926 ppm2      4.126 CV     1
 OR { 1472}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 15   and name HA  ))
 ASSI { 1480}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 16   and name HN  ))
      2.300     0.600     0.600 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.66535E-02 ppm1      8.926 ppm2      8.611 CV     1
 OR { 1480}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 16   and name HN  ))
 ASSI { 1481}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 22   and name HB  ))
      3.700     1.800     1.800 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.11444E-02 ppm1      8.748 ppm2      4.290 CV     1
 OR { 1481}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 22   and name HB  ))
 ASSI { 1493}
   (( segid "BBBB" and resid 38   and name HN  ))
   (  segid "BBBB" and resid 23   and name HE% )
      2.700     0.900     0.900 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.46221E-02 ppm1      9.226 ppm2      6.998 CV     1
 OR { 1493}
   (( segid "AAAA" and resid 38   and name HN  ))
   (  segid "AAAA" and resid 23   and name HE% )
 OR { 1493}
   (( segid "AAAA" and resid 38   and name HN  ))
   (  segid "AAAA" and resid 38   and name HD% )
 OR { 1493}
   (( segid "BBBB" and resid 38   and name HN  ))
   (  segid "BBBB" and resid 38   and name HD% )
 ASSI { 1494}
   (( segid "BBBB" and resid 53   and name HN  ))
   (( segid "BBBB" and resid 46   and name HN  ))
      2.300     2.300     3.700 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.61793E-02 ppm1      7.586 ppm2      7.271 CV     1
 OR { 1494}
   (( segid "AAAA" and resid 53   and name HN  ))
   (( segid "AAAA" and resid 46   and name HN  ))
 OR { 1494}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 78   and name HN  ))
 OR { 1494}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 77   and name HD1 ))
 ASSI { 1500}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
      2.500     0.800     0.800 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.66629E-02 ppm1      8.926 ppm2      1.173 CV     1
 OR { 1500}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 15   and name HG1 ))
 OR { 1500}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 15   and name HG1 ))
 OR { 1500}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
 ASSI { 1505}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
      2.400     0.700     0.700 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.69149E-02 ppm1      8.748 ppm2      0.817 CV     1
 OR { 1505}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 ASSI { 1506}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 34   and name HN  ))
      3.300     1.300     1.300 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.19154E-02 ppm1      9.226 ppm2      9.787 CV     1
 OR { 1506}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 34   and name HN  ))
 ASSI { 1507}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 20   and name HN  ))
      3.100     1.200     1.200 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.19531E-02 ppm1      8.734 ppm2      6.998 CV     1
 OR { 1507}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 20   and name HN  ))
 ASSI { 1509}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 39   and name HB2 ))
      2.900     1.000     1.000 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.61518E-02 ppm1      9.233 ppm2      2.020 CV     1
 OR { 1509}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 39   and name HB2 ))
 OR { 1509}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 35   and name HB  ))
 OR { 1509}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 35   and name HB  ))
 ASSI { 1510}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 21   and name HN  ))
      2.200     0.600     0.600 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.85153E-02 ppm1      8.741 ppm2      7.298 CV     1
 OR { 1510}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 21   and name HN  ))
 ASSI { 1525}
   (( segid "BBBB" and resid 64   and name HN  ))
   (( segid "BBBB" and resid 64   and name HB2 ))
      3.200     1.300     1.300 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.10479E-02 ppm1      7.579 ppm2      2.868 CV     1
 OR { 1525}
   (( segid "AAAA" and resid 64   and name HN  ))
   (( segid "AAAA" and resid 64   and name HB2 ))
 ASSI { 1532}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 57   and name HA  ))
      2.900     1.000     1.000 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.30041E-02 ppm1      7.784 ppm2      4.263 CV     1
 OR { 1532}
   (( segid "AAAA" and resid 58   and name HN  ))
   (( segid "AAAA" and resid 57   and name HA  ))
 ASSI { 1540}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 8    and name HB2 ))
      2.200     0.600     0.600 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.58403E-02 ppm1      8.659 ppm2      2.048 CV     1
 OR { 1540}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 8    and name HB2 ))
 ASSI { 1557}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 7    and name HA  ))
      3.200     1.300     1.300 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.26820E-02 ppm1      8.666 ppm2      4.454 CV     1
 OR { 1557}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 7    and name HA  ))
 ASSI { 1558}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 8    and name HG2 ))
      5.000     3.100     1.000 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.20700E-03 ppm1      8.666 ppm2      2.266 CV     1
 OR { 1558}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 8    and name HG2 ))
 ASSI { 1563}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 17   and name HN  ))
      2.300     2.300     3.700 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.40142E-02 ppm1      8.727 ppm2      8.228 CV     1
 OR { 1563}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 17   and name HN  ))
 ASSI { 1566}
   (( segid "AAAA" and resid 58   and name HN  ))
   (( segid "AAAA" and resid 58   and name HG2 ))
      2.900     2.900     3.100 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.74356E-02 ppm1      7.784 ppm2      2.266 CV     1
 OR { 1566}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 ASSI { 1571}
   (( segid "AAAA" and resid 95   and name HN  ))
   (  segid "BBBB" and resid 73   and name HD% )
      3.900     1.900     1.900 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.12035E-02 ppm1      7.586 ppm2      6.560 CV     1
 OR { 1571}
   (( segid "BBBB" and resid 95   and name HN  ))
   (  segid "AAAA" and resid 73   and name HD% )
 OR { 1571}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 77   and name HZ3 ))
 ASSI { 1574}
   (( segid "AAAA" and resid 58   and name HN  ))
   (( segid "AAAA" and resid 58   and name HB2 ))
      3.400     1.400     1.400 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.68807E-03 ppm1      7.784 ppm2      2.020 CV     1
 OR { 1574}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 58   and name HB2 ))
 ASSI { 1580}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 57   and name HN  ))
      2.600     0.800     0.800 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.42807E-02 ppm1      7.784 ppm2      8.201 CV     1
 OR { 1580}
   (( segid "AAAA" and resid 58   and name HN  ))
   (( segid "AAAA" and resid 57   and name HN  ))
 ASSI { 1581}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 10   and name HN  ))
      2.200     0.600     0.600 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.65902E-02 ppm1      8.673 ppm2      7.873 CV     1
 OR { 1581}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 10   and name HN  ))
 ASSI { 1583}
   (( segid "AAAA" and resid 53   and name HN  ))
   (( segid "AAAA" and resid 53   and name HB  ))
      2.400     0.700     0.700 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.78405E-02 ppm1      7.586 ppm2      2.048 CV     1
 OR { 1583}
   (( segid "BBBB" and resid 53   and name HN  ))
   (( segid "BBBB" and resid 53   and name HB  ))
 ASSI { 1585}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 9    and name HA  ))
      2.300     0.700     0.700 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.65392E-02 ppm1      8.673 ppm2      4.153 CV     1
 OR { 1585}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 9    and name HA  ))
 OR { 1585}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 ASSI { 1592}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 45   and name HA  ))
      2.800     2.800     3.200 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.33282E-02 ppm1      9.657 ppm2      4.646 CV     1
 OR { 1592}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 5    and name HB  ))
 ASSI { 1594}
   (( segid "AAAA" and resid 58   and name HN  ))
   (( segid "AAAA" and resid 57   and name HB2 ))
      2.400     0.700     0.700 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.71346E-02 ppm1      7.791 ppm2      2.513 CV     1
 OR { 1594}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 57   and name HB2 ))
 ASSI { 1596}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 9    and name HN  ))
      2.400     0.700     0.700 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.48347E-02 ppm1      9.664 ppm2      8.638 CV     1
 OR { 1596}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 9    and name HN  ))
 ASSI { 1599}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 8    and name HG2 ))
      2.000     0.500     0.500 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.91254E-02 ppm1      9.664 ppm2      2.239 CV     1
 OR { 1599}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 8    and name HG2 ))
 ASSI { 1603}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 7    and name HA  ))
      2.800     1.000     1.000 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.17030E-02 ppm1      9.664 ppm2      4.454 CV     1
 OR { 1603}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 7    and name HA  ))
 ASSI { 1605}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 10   and name HG2 ))
      2.500     2.500     3.500 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.69684E-02 ppm1      9.664 ppm2      2.431 CV     1
 OR { 1605}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 10   and name HG2 ))
 ASSI { 1608}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 8    and name HB2 ))
      2.300     0.700     0.700 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.73021E-02 ppm1      9.664 ppm2      2.048 CV     1
 OR { 1608}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 8    and name HB2 ))
 ASSI { 1628}
   (( segid "AAAA" and resid 58   and name HN  ))
   (( segid "AAAA" and resid 55   and name HB2 ))
      3.300     1.300     1.300 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.29772E-02 ppm1      7.784 ppm2      3.771 CV     1
 OR { 1628}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 55   and name HB2 ))
 ASSI { 1655}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 88   and name HA  ))
      2.800     2.800     3.200 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.76841E-02 ppm1      7.326 ppm2      4.044 CV     1
 OR { 1655}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 88   and name HA  ))
 OR { 1655}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 89   and name HA  ))
 OR { 1655}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 89   and name HA  ))
 ASSI { 1668}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
      3.400     1.400     1.400 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.18463E-02 ppm1      7.319 ppm2      1.446 CV     1
 OR { 1668}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
 OR { 1668}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR { 1668}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR { 1668}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 ASSI { 1669}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
      1.900     0.400     0.400 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.10723E-01 ppm1      7.326 ppm2      2.321 CV     1
 OR { 1669}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 ASSI { 1671}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 60   and name HA  ))
      3.100     1.200     1.200 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.26874E-02 ppm1      7.551 ppm2      3.306 CV     1
 OR { 1671}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 60   and name HA  ))
 ASSI { 1674}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 10   and name HN  ))
      3.000     1.100     1.100 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.28234E-02 ppm1      9.664 ppm2      7.873 CV     1
 OR { 1674}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 10   and name HN  ))
 ASSI { 1689}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 13   and name HG12))
      2.800     2.800     3.200 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.60039E-02 ppm1      7.326 ppm2      1.774 CV     1
 OR { 1689}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 13   and name HG12))
 OR { 1689}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 83   and name HB2 ))
 ASSI { 1703}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 63   and name HA  ))
      2.300     0.600     0.600 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.93225E-02 ppm1      7.538 ppm2      4.181 CV     1
 OR { 1703}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 63   and name HA  ))
 ASSI { 1734}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
      3.300     1.300     1.300 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.26000E-02 ppm1      8.522 ppm2      1.118 CV     1
 OR { 1734}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 ASSI { 1738}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 43   and name HN  ))
      2.200     0.600     0.600 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.75076E-02 ppm1      8.515 ppm2      7.900 CV     1
 OR { 1738}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 43   and name HN  ))
 OR { 1738}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 40   and name HN  ))
 OR { 1738}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 40   and name HN  ))
 ASSI { 1752}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 42   and name HA  ))
      2.100     0.600     0.600 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.77137E-02 ppm1      8.515 ppm2      3.470 CV     1
 OR { 1752}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 42   and name HA  ))
 ASSI { 1755}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 79   and name HG  ))
      2.600     2.600     3.400 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.86696E-02 ppm1      9.274 ppm2      1.473 CV     1
 OR { 1755}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 79   and name HG  ))
 OR { 1755}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 71   and name HG  ))
 OR { 1755}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR { 1755}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 ASSI { 1759}
   (( segid "AAAA" and resid 36   and name HN  ))
   (( segid "AAAA" and resid 37   and name HN  ))
      2.200     0.600     0.600 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.69284E-02 ppm1      7.121 ppm2      8.529 CV     1
 OR { 1759}
   (( segid "BBBB" and resid 36   and name HN  ))
   (( segid "BBBB" and resid 37   and name HN  ))
 ASSI { 1769}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 9    and name HN  ))
      3.100     1.200     1.200 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.32757E-02 ppm1      9.274 ppm2      8.638 CV     1
 OR { 1769}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 9    and name HN  ))
 ASSI { 1777}
   (( segid "AAAA" and resid 36   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      2.100     0.600     0.600 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.10805E-01 ppm1      7.121 ppm2      4.427 CV     1
 OR { 1777}
   (( segid "BBBB" and resid 36   and name HN  ))
   (( segid "BBBB" and resid 35   and name HA  ))
 ASSI { 1783}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 41   and name HB2 ))
      1.800     0.400     0.400 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.73634E-02 ppm1      8.509 ppm2      1.583 CV     1
 OR { 1783}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 41   and name HB2 ))
 ASSI { 1788}
   (( segid "AAAA" and resid 36   and name HN  ))
   (( segid "AAAA" and resid 35   and name HN  ))
      2.300     0.700     0.700 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.51457E-02 ppm1      7.121 ppm2      8.748 CV     1
 OR { 1788}
   (( segid "BBBB" and resid 36   and name HN  ))
   (( segid "BBBB" and resid 35   and name HN  ))
 ASSI { 1791}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 40   and name HG2 ))
      3.100     1.200     1.200 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.12024E-02 ppm1      7.900 ppm2      2.485 CV     1
 OR { 1791}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 40   and name HG2 ))
 ASSI { 1796}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 37   and name HA  ))
      2.500     0.800     0.800 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.53731E-02 ppm1      8.563 ppm2      4.071 CV     1
 OR { 1796}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 37   and name HA  ))
 ASSI { 1797}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 39   and name HN  ))
      2.300     0.700     0.700 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.58605E-02 ppm1      7.907 ppm2      8.420 CV     1
 OR { 1797}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 39   and name HN  ))
 ASSI { 1804}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.30181E-02 ppm1      7.914 ppm2      3.989 CV     1
 OR { 1804}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 58   and name HA  ))
 OR { 1804}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 39   and name HA  ))
 OR { 1804}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 39   and name HA  ))
 ASSI { 1812}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 41   and name HN  ))
      4.100     2.100     1.900 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.23183E-03 ppm1      7.921 ppm2      8.201 CV     1
 OR { 1812}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 60   and name HN  ))
 OR { 1812}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 41   and name HN  ))
 OR { 1812}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 60   and name HN  ))
 ASSI { 1814}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 58   and name HG2 ))
      3.400     1.400     1.400 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.24813E-02 ppm1      7.907 ppm2      2.294 CV     1
 OR { 1814}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 ASSI { 1830}
   (( segid "AAAA" and resid 37   and name HN  ))
   (  segid "AAAA" and resid 20   and name HE% )
      3.300     3.300     2.700 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.72678E-02 ppm1      8.563 ppm2      7.080 CV     1
 OR { 1830}
   (( segid "BBBB" and resid 37   and name HN  ))
   (  segid "BBBB" and resid 20   and name HE% )
 ASSI { 1834}
   (( segid "AAAA" and resid 40   and name HN  ))
   (  segid "AAAA" and resid 20   and name HE% )
      2.800     2.800     3.200 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.75092E-02 ppm1      7.893 ppm2      7.080 CV     1
 OR { 1834}
   (( segid "BBBB" and resid 40   and name HN  ))
   (  segid "BBBB" and resid 20   and name HE% )
 ASSI { 1840}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      3.100     1.200     1.200 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.35952E-02 ppm1      8.563 ppm2      4.427 CV     1
 OR { 1840}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 35   and name HA  ))
 ASSI { 1879}
   (( segid "AAAA" and resid 92   and name HN  ))
   (( segid "AAAA" and resid 93   and name HN  ))
      4.100     2.100     1.900 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.19046E-03 ppm1      8.071 ppm2      7.517 CV     1
 OR { 1879}
   (( segid "BBBB" and resid 92   and name HN  ))
   (( segid "BBBB" and resid 93   and name HN  ))
 ASSI { 1889}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 83   and name HA  ))
      2.600     0.800     0.800 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.42139E-02 ppm1      8.666 ppm2      3.962 CV     1
 OR { 1889}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 83   and name HA  ))
 ASSI { 1891}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 82   and name HA  ))
      2.900     1.100     1.100 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.27770E-02 ppm1      8.666 ppm2      3.798 CV     1
 OR { 1891}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 82   and name HA  ))
 OR { 1891}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA2 ))
 OR { 1891}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
 OR { 1891}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA1 ))
 ASSI { 1894}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 85   and name HN  ))
      2.300     0.700     0.700 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.70341E-02 ppm1      8.659 ppm2      7.326 CV     1
 OR { 1894}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 85   and name HN  ))
 ASSI { 1898}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 80   and name HA  ))
      3.400     1.400     1.400 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.18718E-02 ppm1      8.652 ppm2      3.224 CV     1
 OR { 1898}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
 OR { 1898}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
 ASSI { 1899}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 83   and name HN  ))
      2.200     0.600     0.600 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.76349E-02 ppm1      8.659 ppm2      8.037 CV     1
 OR { 1899}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 83   and name HN  ))
 ASSI { 1904}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 87   and name HB  ))
      2.800     2.800     3.200 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.72944E-02 ppm1      8.659 ppm2      1.884 CV     1
 OR { 1904}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 87   and name HB  ))
 ASSI { 1945}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 46   and name HA  ))
      2.600     0.800     0.800 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.38533E-02 ppm1      7.319 ppm2      3.442 CV     1
 OR { 1945}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 46   and name HA  ))
 ASSI { 1968}
   (( segid "AAAA" and resid 41   and name HN  ))
   (( segid "AAAA" and resid 40   and name HN  ))
      2.200     0.600     0.600 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.10281E-01 ppm1      8.180 ppm2      7.900 CV     1
 OR { 1968}
   (( segid "BBBB" and resid 41   and name HN  ))
   (( segid "BBBB" and resid 40   and name HN  ))
 ASSI { 1973}
   (( segid "AAAA" and resid 41   and name HN  ))
   (( segid "AAAA" and resid 40   and name HG2 ))
      2.900     1.000     1.000 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.43095E-02 ppm1      8.174 ppm2      2.485 CV     1
 OR { 1973}
   (( segid "BBBB" and resid 41   and name HN  ))
   (( segid "BBBB" and resid 40   and name HG2 ))
 ASSI { 1984}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 87   and name HB  ))
      2.200     0.600     0.600 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.95983E-02 ppm1      7.955 ppm2      1.884 CV     1
 OR { 1984}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 87   and name HB  ))
 ASSI { 1994}
   (( segid "BBBB" and resid 41   and name HN  ))
   (( segid "BBBB" and resid 41   and name HB2 ))
      2.000     0.500     0.500 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.91521E-02 ppm1      8.180 ppm2      1.583 CV     1
 OR { 1994}
   (( segid "AAAA" and resid 41   and name HN  ))
   (( segid "AAAA" and resid 41   and name HB2 ))
 ASSI { 2027}
   (( segid "BBBB" and resid 6    and name HN  ))
   (( segid "BBBB" and resid 7    and name HN  ))
      3.300     1.400     1.400 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.18944E-02 ppm1      8.037 ppm2      8.666 CV     1
 OR { 2027}
   (( segid "AAAA" and resid 6    and name HN  ))
   (( segid "AAAA" and resid 7    and name HN  ))
 ASSI { 2035}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
      2.100     0.600     0.600 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.71440E-02 ppm1      7.695 ppm2      2.321 CV     1
 OR { 2035}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 ASSI { 2041}
   (( segid "BBBB" and resid 65   and name HN  ))
   (( segid "BBBB" and resid 64   and name HB2 ))
      2.800     1.000     1.000 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.27751E-02 ppm1      8.057 ppm2      2.841 CV     1
 OR { 2041}
   (( segid "AAAA" and resid 65   and name HN  ))
   (( segid "AAAA" and resid 64   and name HB2 ))
 ASSI { 2046}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
      3.100     1.200     1.200 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.16201E-02 ppm1      7.695 ppm2      3.224 CV     1
 OR { 2046}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 80   and name HA  ))
 ASSI { 2051}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 79   and name HA  ))
      2.600     0.900     0.900 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.50596E-02 ppm1      7.695 ppm2      3.962 CV     1
 OR { 2051}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 79   and name HA  ))
 ASSI { 2053}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 82   and name HA  ))
      3.300     1.400     1.400 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.10362E-02 ppm1      7.695 ppm2      3.798 CV     1
 OR { 2053}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 82   and name HA  ))
 OR { 2053}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA1 ))
 OR { 2053}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA1 ))
 OR { 2053}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
 ASSI { 2098}
   (( segid "BBBB" and resid 71   and name HN  ))
   (( segid "BBBB" and resid 33   and name HN  ))
      3.200     3.200     2.800 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.24870E-02 ppm1     10.334 ppm2      9.158 CV     1
 OR { 2098}
   (( segid "AAAA" and resid 71   and name HN  ))
   (( segid "AAAA" and resid 33   and name HN  ))
 ASSI { 2113}
   (( segid "BBBB" and resid 97   and name HN  ))
   (( segid "BBBB" and resid 97   and name HB2 ))
      3.400     1.400     1.400 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.15528E-02 ppm1      8.249 ppm2      1.719 CV     1
 OR { 2113}
   (( segid "AAAA" and resid 97   and name HN  ))
   (( segid "AAAA" and resid 97   and name HB2 ))
 OR { 2113}
   (( segid "AAAA" and resid 97   and name HN  ))
   (( segid "AAAA" and resid 96   and name HB2 ))
 ASSI { 2124}
   (( segid "BBBB" and resid 34   and name HN  ))
   (  segid "BBBB" and resid 33   and name HD2%)
      4.000     2.000     2.000 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.20027E-02 ppm1      9.801 ppm2      0.981 CV     1
 OR { 2124}
   (( segid "AAAA" and resid 34   and name HN  ))
   (  segid "AAAA" and resid 33   and name HD2%)
 ASSI { 2128}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 95   and name HB  ))
      3.100     3.100     2.900 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.22469E-02 ppm1      7.100 ppm2      1.747 CV     1
 OR { 2128}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 95   and name HB  ))
 OR { 2128}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 96   and name HB2 ))
 OR { 2128}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 70   and name HB2 ))
 ASSI { 2133}
   (( segid "BBBB" and resid 71   and name HN  ))
   (( segid "BBBB" and resid 72   and name HN  ))
      3.500     1.500     1.500 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.14206E-02 ppm1     10.348 ppm2      8.939 CV     1
 OR { 2133}
   (( segid "AAAA" and resid 71   and name HN  ))
   (( segid "AAAA" and resid 72   and name HN  ))
 ASSI { 2137}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 67   and name HG2 ))
      2.700     2.700     3.300 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.60751E-02 ppm1      9.808 ppm2      2.294 CV     1
 OR { 2137}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 67   and name HG2 ))
 OR { 2137}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 72   and name HB2 ))
 OR { 2137}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 72   and name HB2 ))
 OR { 2137}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 ASSI { 2139}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 24   and name HA  ))
      2.900     1.100     1.100 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.26088E-02 ppm1      9.808 ppm2      3.689 CV     1
 OR { 2139}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 24   and name HA  ))
 ASSI { 2142}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 34   and name HB2 ))
      3.000     1.200     1.200 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.16548E-02 ppm1      9.808 ppm2      3.442 CV     1
 OR { 2142}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 34   and name HB2 ))
 ASSI { 2144}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 35   and name HN  ))
      3.300     1.400     1.400 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.13258E-02 ppm1      9.801 ppm2      8.748 CV     1
 OR { 2144}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 35   and name HN  ))
 ASSI { 2147}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 37   and name HN  ))
      3.100     1.200     1.200 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.25319E-02 ppm1      9.794 ppm2      8.529 CV     1
 OR { 2147}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 37   and name HN  ))
 ASSI { 2155}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 33   and name HG  ))
      2.700     0.900     0.900 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.31102E-02 ppm1      9.808 ppm2      1.528 CV     1
 OR { 2155}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 33   and name HG  ))
 ASSI { 2157}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 26   and name HB2 ))
      2.600     0.900     0.900 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.60103E-02 ppm1      9.801 ppm2      2.020 CV     1
 OR { 2157}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 26   and name HB2 ))
 OR { 2157}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 35   and name HB  ))
 ASSI { 2159}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 77   and name HN  ))
      3.500     1.600     1.600 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.12550E-02 ppm1      7.093 ppm2      9.295 CV     1
 OR { 2159}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 77   and name HN  ))
 ASSI { 2164}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.16445E-02 ppm1      9.808 ppm2      9.185 CV     1
 OR { 2164}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 33   and name HN  ))
 ASSI { 2184}
   (( segid "AAAA" and resid 73   and name HN  ))
   (( segid "AAAA" and resid 72   and name HA  ))
      2.700     0.900     0.900 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.38637E-02 ppm1      9.534 ppm2      4.892 CV     1
 OR { 2184}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 72   and name HA  ))
 ASSI { 2185}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 72   and name HD2 ))
      3.400     1.500     1.500 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.16210E-02 ppm1      9.520 ppm2      3.306 CV     1
 OR { 2185}
   (( segid "AAAA" and resid 73   and name HN  ))
   (( segid "AAAA" and resid 72   and name HD2 ))
 ASSI { 2187}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 93   and name HA  ))
      2.500     2.500     3.500 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.83280E-02 ppm1      8.126 ppm2      4.071 CV     1
 OR { 2187}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 93   and name HA  ))
 OR { 2187}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 98   and name HA  ))
 OR { 2187}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 98   and name HA  ))
 ASSI { 2189}
   (( segid "AAAA" and resid 73   and name HN  ))
   (( segid "AAAA" and resid 72   and name HB2 ))
      2.800     1.000     1.000 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.27966E-02 ppm1      9.534 ppm2      2.294 CV     1
 OR { 2189}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 72   and name HB2 ))
 OR { 2189}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 ASSI { 2193}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 97   and name HE2 ))
      3.500     1.500     1.500 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.17559E-02 ppm1      8.132 ppm2      3.142 CV     1
 OR { 2193}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 97   and name HE2 ))
 ASSI { 2199}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 96   and name HB2 ))
      2.600     0.900     0.900 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.41515E-02 ppm1      8.126 ppm2      1.747 CV     1
 OR { 2199}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 96   and name HB2 ))
 OR { 2199}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 95   and name HB  ))
 ASSI { 2200}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 73   and name HB2 ))
      3.000     1.100     1.100 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.39801E-02 ppm1      9.534 ppm2      3.005 CV     1
 OR { 2200}
   (( segid "AAAA" and resid 73   and name HN  ))
   (( segid "AAAA" and resid 73   and name HB2 ))
 ASSI { 2205}
   (( segid "AAAA" and resid 73   and name HN  ))
   (( segid "AAAA" and resid 72   and name HN  ))
      2.400     0.700     0.700 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.20302E-02 ppm1      9.527 ppm2      8.912 CV     1
 OR { 2205}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 72   and name HN  ))
 ASSI { 2215}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 15   and name HA  ))
      2.700     0.900     0.900 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.44130E-02 ppm1      8.625 ppm2      4.126 CV     1
 OR { 2215}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 15   and name HA  ))
 ASSI { 2219}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 16   and name HA  ))
      2.300     0.700     0.700 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.51816E-02 ppm1      8.625 ppm2      3.798 CV     1
 OR { 2219}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 16   and name HA  ))
 ASSI { 2231}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 16   and name HB  ))
      2.100     0.600     0.600 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.83716E-02 ppm1      8.625 ppm2      2.649 CV     1
 OR { 2231}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 16   and name HB  ))
 ASSI { 2250}
   (( segid "AAAA" and resid 2    and name HN  ))
   (( segid "AAAA" and resid 1    and name HB2 ))
      2.600     0.800     0.800 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.10584E-01 ppm1      8.180 ppm2      1.993 CV     1
 OR { 2250}
   (( segid "BBBB" and resid 2    and name HN  ))
   (( segid "BBBB" and resid 1    and name HB2 ))
 ASSI { 2293}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 24   and name HN  ))
      3.700     1.700     1.700 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.13894E-02 ppm1      9.172 ppm2      8.474 CV     1
 OR { 2293}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 24   and name HN  ))
 ASSI { 2307}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 32   and name HA  ))
      2.400     0.700     0.700 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.52759E-02 ppm1      9.179 ppm2      5.138 CV     1
 OR { 2307}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 32   and name HA  ))
 ASSI { 2311}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 27   and name HG2 ))
      3.000     3.000     3.000 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.24984E-02 ppm1      9.172 ppm2      2.212 CV     1
 OR { 2311}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 27   and name HG2 ))
 ASSI { 2314}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 34   and name HA  ))
      3.200     1.300     1.300 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.19554E-02 ppm1      9.172 ppm2      4.892 CV     1
 OR { 2314}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 34   and name HA  ))
 OR { 2314}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 72   and name HA  ))
 ASSI { 2330}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 33   and name HA  ))
      2.900     1.000     1.000 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.22056E-02 ppm1      9.179 ppm2      5.275 CV     1
 OR { 2330}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 33   and name HA  ))
 ASSI { 2532}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 78   and name HG2 ))
      2.700     0.900     0.900 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.16321E-02 ppm1     10.245 ppm2      1.555 CV     1
 OR { 2532}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 78   and name HG2 ))
 ASSI { 2544}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 77   and name HN  ))
      3.600     1.600     1.600 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.10868E-02 ppm1     10.245 ppm2      9.322 CV     1
 OR { 2544}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 77   and name HN  ))
 ASSI { 2550}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 77   and name HE3 ))
      3.300     1.400     1.400 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.13005E-02 ppm1     10.245 ppm2      7.654 CV     1
 OR { 2550}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 77   and name HE3 ))
 ASSI { 2552}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 77   and name HD1 ))
      3.300     1.300     1.300 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.13085E-02 ppm1     10.238 ppm2      7.216 CV     1
 OR { 2552}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 77   and name HD1 ))
 ASSI { 2563}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 77   and name HA  ))
      2.900     2.900     3.100 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.79313E-02 ppm1     10.238 ppm2      3.771 CV     1
 OR { 2563}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 77   and name HA  ))
 ASSI { 2573}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 78   and name HA  ))
      3.800     1.800     1.800 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.22618E-02 ppm1     10.238 ppm2      3.962 CV     1
 OR { 2573}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 78   and name HA  ))

!RUN17 2D NOE TABLE

ASSI {    5}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "AAAA" and resid 86   and name HG2 ))
      1.600     0.300     0.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.74604E-01 ppm1      2.143 ppm2      2.334 CV     1
 OR {    5}
   (( segid "BBBB" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 ASSI {    8}
   (( segid "BBBB" and resid 1    and name HB2 ))
   (( segid "AAAA" and resid 39   and name HA  ))
      1.400     0.300     0.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.54758E-01 ppm1      2.014 ppm2      4.001 CV     1
 OR {    8}
   (( segid "AAAA" and resid 1    and name HB2 ))
   (( segid "BBBB" and resid 39   and name HA  ))
 OR {    8}
   (( segid "BBBB" and resid 58   and name HB2 ))
   (( segid "BBBB" and resid 58   and name HA  ))
 OR {    8}
   (( segid "AAAA" and resid 58   and name HB2 ))
   (( segid "AAAA" and resid 58   and name HA  ))
 OR {    8}
   (( segid "AAAA" and resid 39   and name HB2 ))
   (( segid "AAAA" and resid 39   and name HA  ))
 ASSI {   11}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 8    and name HA  ))
      2.000     2.000     4.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.42092E-01 ppm1      1.487 ppm2      4.130 CV     1
 OR {   11}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 OR {   11}
   (( segid "BBBB" and resid 6    and name HG  ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {   11}
   (( segid "AAAA" and resid 6    and name HG  ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {   11}
   (( segid "AAAA" and resid 88   and name HB2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {   11}
   (( segid "BBBB" and resid 88   and name HB2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {   11}
   (( segid "AAAA" and resid 85   and name HG2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {   11}
   (( segid "BBBB" and resid 46   and name HG  ))
   (( segid "BBBB" and resid 47   and name HA  ))
 OR {   11}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 47   and name HA  ))
 OR {   11}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {   11}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {   11}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 17   and name HA  ))
 OR {   11}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 59   and name HA  ))
 ASSI {   12}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 74   and name HB2 ))
      2.100     0.500     0.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.26519E-01 ppm1      0.865 ppm2      3.995 CV     1
 OR {   12}
   (  segid "BBBB" and resid 95   and name HG2%)
   (( segid "AAAA" and resid 74   and name HB2 ))
 OR {   12}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "AAAA" and resid 95   and name HA  ))
 OR {   12}
   (  segid "BBBB" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 95   and name HA  ))
 OR {   12}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 74   and name HA  ))
 ASSI {   13}
   (( segid "AAAA" and resid 40   and name HG2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      2.400     2.400     3.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.18139E-01 ppm1      2.436 ppm2      2.544 CV     1
 OR {   13}
   (( segid "BBBB" and resid 40   and name HG2 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 ASSI {   15}
   (( segid "AAAA" and resid 63   and name HG  ))
   (( segid "AAAA" and resid 63   and name HA  ))
      1.800     0.400     0.400 peak    15 spectrum    1 weight  0.10000E+01 volume  0.22872E-01 ppm1      1.170 ppm2      4.194 CV     1
 OR {   15}
   (( segid "BBBB" and resid 63   and name HG  ))
   (( segid "BBBB" and resid 63   and name HA  ))
 ASSI {   18}
   (( segid "AAAA" and resid 22   and name HG1 ))
   (( segid "AAAA" and resid 22   and name HA  ))
      2.200     0.600     0.600 peak    18 spectrum    1 weight  0.10000E+01 volume  0.25251E-01 ppm1      0.830 ppm2      3.837 CV     1
 OR {   18}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (( segid "BBBB" and resid 22   and name HA  ))
 OR {   18}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {   18}
   (  segid "BBBB" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 94   and name HA1 ))
 ASSI {   21}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 5    and name HA  ))
      2.000     0.500     0.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.23828E-01 ppm1      1.194 ppm2      4.101 CV     1
 OR {   21}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 5    and name HA  ))
 OR {   21}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {   21}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 59   and name HA  ))
 OR {   21}
   (( segid "BBBB" and resid 15   and name HG1 ))
   (( segid "BBBB" and resid 15   and name HA  ))
 ASSI {   22}
   (( segid "BBBB" and resid 85   and name HB2 ))
   (( segid "BBBB" and resid 85   and name HE2 ))
      1.800     0.400     0.400 peak    22 spectrum    1 weight  0.10000E+01 volume  0.24880E-01 ppm1      1.697 ppm2      3.030 CV     1
 OR {   22}
   (( segid "AAAA" and resid 85   and name HB2 ))
   (( segid "AAAA" and resid 85   and name HE2 ))
 ASSI {   24}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 77   and name HA  ))
      2.700     2.700     3.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.10849E-01 ppm1      3.561 ppm2      3.750 CV     1
 OR {   24}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 77   and name HA  ))
 ASSI {   27}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 61   and name HA  ))
      1.900     0.400     0.400 peak    27 spectrum    1 weight  0.10000E+01 volume  0.41038E-01 ppm1      1.897 ppm2      4.025 CV     1
 OR {   27}
   (( segid "AAAA" and resid 61   and name HB2 ))
   (( segid "AAAA" and resid 61   and name HA  ))
 ASSI {   30}
   (( segid "AAAA" and resid 97   and name HG2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
      2.100     2.100     3.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.10637E-01 ppm1      1.299 ppm2      1.433 CV     1
 OR {   30}
   (( segid "AAAA" and resid 98   and name HG2 ))
   (( segid "AAAA" and resid 93   and name HG  ))
 OR {   30}
   (( segid "BBBB" and resid 98   and name HG2 ))
   (( segid "BBBB" and resid 93   and name HG  ))
 OR {   30}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 46   and name HG  ))
 OR {   30}
   (( segid "AAAA" and resid 39   and name HG2 ))
   (( segid "AAAA" and resid 46   and name HG  ))
 OR {   30}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 61   and name HG2 ))
 ASSI {   38}
   (( segid "BBBB" and resid 98   and name HA  ))
   (( segid "BBBB" and resid 97   and name HA  ))
      3.300     1.400     1.400 peak    38 spectrum    1 weight  0.10000E+01 volume  0.20121E-02 ppm1      4.053 ppm2      4.194 CV     1
 OR {   38}
   (( segid "AAAA" and resid 98   and name HA  ))
   (( segid "AAAA" and resid 97   and name HA  ))
 OR {   38}
   (( segid "AAAA" and resid 61   and name HA  ))
   (( segid "AAAA" and resid 62   and name HA  ))
 OR {   38}
   (( segid "BBBB" and resid 61   and name HA  ))
   (( segid "BBBB" and resid 62   and name HA  ))
 OR {   38}
   (( segid "AAAA" and resid 37   and name HA  ))
   (( segid "AAAA" and resid 38   and name HA  ))
 OR {   38}
   (( segid "BBBB" and resid 37   and name HA  ))
   (( segid "BBBB" and resid 38   and name HA  ))
 ASSI {   39}
   (( segid "BBBB" and resid 78   and name HG2 ))
   (( segid "BBBB" and resid 69   and name HA  ))
      2.600     0.800     0.800 peak    39 spectrum    1 weight  0.10000E+01 volume  0.12843E-01 ppm1      1.533 ppm2      4.323 CV     1
 OR {   39}
   (( segid "AAAA" and resid 78   and name HG2 ))
   (( segid "AAAA" and resid 69   and name HA  ))
 OR {   39}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 69   and name HA  ))
 OR {   39}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 69   and name HA  ))
 OR {   39}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {   39}
   (( segid "AAAA" and resid 89   and name HD2 ))
   (( segid "AAAA" and resid 87   and name HA  ))
 ASSI {   42}
   (( segid "AAAA" and resid 22   and name HG1 ))
   (( segid "AAAA" and resid 22   and name HB  ))
      2.200     0.600     0.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.10781E-01 ppm1      0.819 ppm2      4.323 CV     1
 OR {   42}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (( segid "BBBB" and resid 22   and name HB  ))
 ASSI {   46}
   (( segid "BBBB" and resid 89   and name HG2 ))
   (( segid "BBBB" and resid 90   and name HG2 ))
      1.900     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.18940E-01 ppm1      1.018 ppm2      2.252 CV     1
 OR {   46}
   (( segid "AAAA" and resid 89   and name HG2 ))
   (( segid "AAAA" and resid 90   and name HG2 ))
 ASSI {   47}
   (  segid "AAAA" and resid 35   and name HG2%)
   (( segid "AAAA" and resid 36   and name HB2 ))
      2.100     2.100     3.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.28317E-01 ppm1      1.662 ppm2      2.925 CV     1
 OR {   47}
   (  segid "BBBB" and resid 35   and name HG2%)
   (( segid "BBBB" and resid 36   and name HB2 ))
 ASSI {   51}
   (( segid "BBBB" and resid 97   and name HB2 ))
   (( segid "BBBB" and resid 97   and name HA  ))
      2.100     0.500     0.500 peak    51 spectrum    1 weight  0.10000E+01 volume  0.21686E-01 ppm1      1.697 ppm2      4.165 CV     1
 OR {   51}
   (( segid "AAAA" and resid 97   and name HB2 ))
   (( segid "AAAA" and resid 97   and name HA  ))
 OR {   51}
   (( segid "BBBB" and resid 9    and name HB2 ))
   (( segid "BBBB" and resid 9    and name HA  ))
 OR {   51}
   (( segid "AAAA" and resid 9    and name HB2 ))
   (( segid "AAAA" and resid 9    and name HA  ))
 ASSI {   60}
   (( segid "AAAA" and resid 96   and name HB2 ))
   (( segid "AAAA" and resid 96   and name HA  ))
      1.900     0.500     0.500 peak    60 spectrum    1 weight  0.10000E+01 volume  0.21275E-01 ppm1      1.721 ppm2      4.247 CV     1
 OR {   60}
   (( segid "AAAA" and resid 60   and name HB2 ))
   (( segid "AAAA" and resid 57   and name HA  ))
 OR {   60}
   (( segid "BBBB" and resid 96   and name HB2 ))
   (( segid "BBBB" and resid 96   and name HA  ))
 OR {   60}
   (( segid "BBBB" and resid 60   and name HB2 ))
   (( segid "BBBB" and resid 57   and name HA  ))
 ASSI {   64}
   (( segid "AAAA" and resid 86   and name HG2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
      2.400     0.700     0.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.12788E-01 ppm1      2.319 ppm2      4.107 CV     1
 OR {   64}
   (( segid "BBBB" and resid 86   and name HG2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {   64}
   (( segid "AAAA" and resid 44   and name HB2 ))
   (( segid "AAAA" and resid 43   and name HB  ))
 OR {   64}
   (( segid "BBBB" and resid 44   and name HB2 ))
   (( segid "BBBB" and resid 43   and name HB  ))
 OR {   64}
   (( segid "BBBB" and resid 90   and name HG2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {   64}
   (( segid "AAAA" and resid 90   and name HG2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {   64}
   (( segid "BBBB" and resid 75   and name HB2 ))
   (( segid "BBBB" and resid 76   and name HA  ))
 ASSI {   65}
   (( segid "AAAA" and resid 17   and name HB  ))
   (( segid "AAAA" and resid 17   and name HA  ))
      2.100     0.600     0.600 peak    65 spectrum    1 weight  0.10000E+01 volume  0.11303E-01 ppm1      2.283 ppm2      4.130 CV     1
 OR {   65}
   (( segid "BBBB" and resid 17   and name HB  ))
   (( segid "BBBB" and resid 17   and name HA  ))
 OR {   65}
   (( segid "BBBB" and resid 8    and name HG2 ))
   (( segid "BBBB" and resid 8    and name HA  ))
 OR {   65}
   (( segid "AAAA" and resid 8    and name HG2 ))
   (( segid "AAAA" and resid 8    and name HA  ))
 ASSI {   68}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 82   and name HA  ))
      2.900     1.100     1.100 peak    68 spectrum    1 weight  0.10000E+01 volume  0.66054E-02 ppm1      3.561 ppm2      3.820 CV     1
 OR {   68}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 82   and name HA  ))
 OR {   68}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 81   and name HA2 ))
 OR {   68}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
 OR {   68}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 81   and name HA1 ))
 OR {   68}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 81   and name HA1 ))
 ASSI {   69}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 79   and name HA  ))
      2.300     0.700     0.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.15511E-01 ppm1      1.498 ppm2      3.960 CV     1
 OR {   69}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 79   and name HA  ))
 OR {   69}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 83   and name HA  ))
 OR {   69}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 83   and name HA  ))
 OR {   69}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 78   and name HA  ))
 OR {   69}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 78   and name HA  ))
 OR {   69}
   (( segid "AAAA" and resid 50   and name HG  ))
   (( segid "AAAA" and resid 51   and name HA  ))
 ASSI {   70}
   (( segid "BBBB" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
      2.200     0.600     0.600 peak    70 spectrum    1 weight  0.10000E+01 volume  0.13970E-01 ppm1      2.131 ppm2      4.095 CV     1
 OR {   70}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 ASSI {   71}
   (( segid "AAAA" and resid 83   and name HB2 ))
   (( segid "BBBB" and resid 84   and name HA  ))
      2.200     2.200     3.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.14091E-01 ppm1      1.779 ppm2      3.545 CV     1
 OR {   71}
   (( segid "BBBB" and resid 83   and name HB2 ))
   (( segid "AAAA" and resid 84   and name HA  ))
 OR {   71}
   (( segid "BBBB" and resid 83   and name HB2 ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {   71}
   (( segid "AAAA" and resid 83   and name HB2 ))
   (( segid "AAAA" and resid 84   and name HA  ))
 ASSI {   72}
   (( segid "AAAA" and resid 67   and name HB2 ))
   (( segid "AAAA" and resid 67   and name HA  ))
      2.000     0.500     0.500 peak    72 spectrum    1 weight  0.10000E+01 volume  0.19939E-01 ppm1      2.143 ppm2      3.990 CV     1
 OR {   72}
   (( segid "BBBB" and resid 67   and name HB2 ))
   (( segid "BBBB" and resid 67   and name HA  ))
 ASSI {   73}
   (( segid "BBBB" and resid 13   and name HG11))
   (( segid "AAAA" and resid 87   and name HA  ))
      2.400     0.700     0.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.90279E-02 ppm1      1.604 ppm2      4.329 CV     1
 OR {   73}
   (( segid "AAAA" and resid 13   and name HG11))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {   73}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "AAAA" and resid 1    and name HA  ))
 OR {   73}
   (( segid "AAAA" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 1    and name HA  ))
 ASSI {   74}
   (  segid "BBBB" and resid 35   and name HG2%)
   (( segid "BBBB" and resid 67   and name HA  ))
      2.400     0.700     0.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.84532E-02 ppm1      1.651 ppm2      3.984 CV     1
 OR {   74}
   (  segid "AAAA" and resid 35   and name HG2%)
   (( segid "AAAA" and resid 67   and name HA  ))
 OR {   74}
   (( segid "BBBB" and resid 93   and name HB2 ))
   (( segid "BBBB" and resid 90   and name HA  ))
 OR {   74}
   (( segid "AAAA" and resid 93   and name HB2 ))
   (( segid "AAAA" and resid 90   and name HA  ))
 OR {   74}
   (( segid "BBBB" and resid 51   and name HD2 ))
   (( segid "BBBB" and resid 51   and name HA  ))
 OR {   74}
   (( segid "AAAA" and resid 51   and name HD2 ))
   (( segid "AAAA" and resid 51   and name HA  ))
 ASSI {   75}
   (( segid "AAAA" and resid 89   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HA  ))
      2.300     0.600     0.600 peak    75 spectrum    1 weight  0.10000E+01 volume  0.12937E-01 ppm1      1.686 ppm2      4.013 CV     1
 OR {   75}
   (( segid "BBBB" and resid 89   and name HB2 ))
   (( segid "BBBB" and resid 89   and name HA  ))
 OR {   75}
   (( segid "BBBB" and resid 98   and name HB2 ))
   (( segid "BBBB" and resid 98   and name HA  ))
 OR {   75}
   (( segid "AAAA" and resid 98   and name HB2 ))
   (( segid "AAAA" and resid 98   and name HA  ))
 OR {   75}
   (( segid "BBBB" and resid 93   and name HB2 ))
   (( segid "BBBB" and resid 90   and name HA  ))
 OR {   75}
   (( segid "AAAA" and resid 93   and name HB2 ))
   (( segid "AAAA" and resid 90   and name HA  ))
 OR {   75}
   (( segid "BBBB" and resid 61   and name HD2 ))
   (( segid "BBBB" and resid 61   and name HA  ))
 OR {   75}
   (( segid "AAAA" and resid 61   and name HD2 ))
   (( segid "AAAA" and resid 61   and name HA  ))
 ASSI {   78}
   (( segid "AAAA" and resid 66   and name HB2 ))
   (( segid "AAAA" and resid 69   and name HB2 ))
      2.400     0.700     0.700 peak    78 spectrum    1 weight  0.10000E+01 volume  0.10224E-01 ppm1      3.244 ppm2      3.978 CV     1
 OR {   78}
   (( segid "BBBB" and resid 66   and name HB2 ))
   (( segid "BBBB" and resid 69   and name HB2 ))
 OR {   78}
   (( segid "AAAA" and resid 26   and name HD2 ))
   (( segid "AAAA" and resid 26   and name HA  ))
 OR {   78}
   (( segid "BBBB" and resid 26   and name HD2 ))
   (( segid "BBBB" and resid 26   and name HA  ))
 ASSI {   79}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 88   and name HG2 ))
      2.400     2.400     3.600 peak    79 spectrum    1 weight  0.10000E+01 volume  0.12827E-01 ppm1      0.760 ppm2      1.544 CV     1
 OR {   79}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 88   and name HG2 ))
 OR {   79}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 79   and name HG  ))
 ASSI {   82}
   (( segid "BBBB" and resid 41   and name HG  ))
   (  segid "AAAA" and resid 7    and name HG2%)
      2.500     2.500     3.500 peak    82 spectrum    1 weight  0.10000E+01 volume  0.21153E-01 ppm1      0.983 ppm2      1.368 CV     1
 OR {   82}
   (( segid "AAAA" and resid 41   and name HG  ))
   (  segid "BBBB" and resid 7    and name HG2%)
 ASSI {   85}
   (( segid "AAAA" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      2.400     2.400     3.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.11736E-01 ppm1      0.983 ppm2      1.286 CV     1
 ASSI {   90}
   (( segid "AAAA" and resid 4    and name HG2 ))
   (( segid "AAAA" and resid 4    and name HA  ))
      2.500     0.800     0.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.11717E-01 ppm1      2.190 ppm2      4.276 CV     1
 OR {   90}
   (( segid "BBBB" and resid 4    and name HG2 ))
   (( segid "BBBB" and resid 4    and name HA  ))
 OR {   90}
   (( segid "AAAA" and resid 60   and name HG2 ))
   (( segid "AAAA" and resid 57   and name HA  ))
 OR {   90}
   (( segid "BBBB" and resid 60   and name HG2 ))
   (( segid "BBBB" and resid 57   and name HA  ))
 ASSI {   91}
   (  segid "BBBB" and resid 21   and name HD% )
   (  segid "BBBB" and resid 21   and name HE% )
      2.100     0.600     0.600 peak    91 spectrum    1 weight  0.10000E+01 volume  0.86957E-02 ppm1      6.702 ppm2      7.102 CV     1
 OR {   91}
   (  segid "AAAA" and resid 21   and name HD% )
   (  segid "AAAA" and resid 21   and name HE% )
 OR {   91}
   (  segid "AAAA" and resid 76   and name HE% )
   (  segid "AAAA" and resid 21   and name HE% )
 ASSI {   98}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 87   and name HA  ))
      2.200     0.600     0.600 peak    98 spectrum    1 weight  0.10000E+01 volume  0.94506E-02 ppm1      1.920 ppm2      4.270 CV     1
 OR {   98}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 87   and name HA  ))
 ASSI {   99}
   (( segid "AAAA" and resid 88   and name HG2 ))
   (( segid "AAAA" and resid 88   and name HA  ))
      2.300     0.600     0.600 peak    99 spectrum    1 weight  0.10000E+01 volume  0.12819E-01 ppm1      1.580 ppm2      4.001 CV     1
 OR {   99}
   (( segid "BBBB" and resid 88   and name HG2 ))
   (( segid "BBBB" and resid 88   and name HA  ))
 OR {   99}
   (( segid "AAAA" and resid 98   and name HD2 ))
   (( segid "AAAA" and resid 98   and name HA  ))
 OR {   99}
   (( segid "BBBB" and resid 98   and name HD2 ))
   (( segid "BBBB" and resid 98   and name HA  ))
 OR {   99}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 39   and name HA  ))
 OR {   99}
   (( segid "AAAA" and resid 41   and name HB2 ))
   (( segid "AAAA" and resid 39   and name HA  ))
 ASSI {  102}
   (  segid "AAAA" and resid 73   and name HD% )
   (( segid "AAAA" and resid 75   and name HN  ))
      2.100     0.600     0.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.76178E-02 ppm1      6.573 ppm2      7.102 CV     1
 OR {  102}
   (  segid "AAAA" and resid 73   and name HD% )
   (  segid "AAAA" and resid 73   and name HE% )
 OR {  102}
   (  segid "BBBB" and resid 73   and name HD% )
   (  segid "BBBB" and resid 73   and name HE% )
 OR {  102}
   (  segid "AAAA" and resid 20   and name HD% )
   (  segid "AAAA" and resid 20   and name HE% )
 OR {  102}
   (  segid "BBBB" and resid 73   and name HD% )
   (( segid "BBBB" and resid 75   and name HN  ))
 OR {  102}
   (  segid "BBBB" and resid 20   and name HD% )
   (  segid "BBBB" and resid 20   and name HE% )
 OR {  102}
   (  segid "BBBB" and resid 20   and name HD% )
   (  segid "BBBB" and resid 21   and name HE% )
 ASSI {  106}
   (( segid "AAAA" and resid 30   and name HB2 ))
   (( segid "AAAA" and resid 30   and name HA  ))
      2.600     0.800     0.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.78857E-02 ppm1      1.885 ppm2      4.405 CV     1
 OR {  106}
   (( segid "BBBB" and resid 30   and name HB2 ))
   (( segid "BBBB" and resid 30   and name HA  ))
 ASSI {  108}
   (( segid "BBBB" and resid 14   and name HG2 ))
   (( segid "BBBB" and resid 11   and name HA  ))
      2.600     0.900     0.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.75258E-02 ppm1      2.436 ppm2      4.124 CV     1
 OR {  108}
   (( segid "AAAA" and resid 14   and name HG2 ))
   (( segid "AAAA" and resid 11   and name HA  ))
 OR {  108}
   (( segid "AAAA" and resid 10   and name HG2 ))
   (( segid "AAAA" and resid 8    and name HA  ))
 OR {  108}
   (( segid "BBBB" and resid 10   and name HG2 ))
   (( segid "BBBB" and resid 8    and name HA  ))
 OR {  108}
   (( segid "BBBB" and resid 10   and name HG2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {  108}
   (( segid "AAAA" and resid 10   and name HG2 ))
   (( segid "AAAA" and resid 11   and name HA  ))
 OR {  108}
   (( segid "AAAA" and resid 10   and name HG2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
 ASSI {  109}
   (( segid "AAAA" and resid 58   and name HG2 ))
   (( segid "AAAA" and resid 57   and name HB2 ))
      3.000     3.000     3.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.57659E-02 ppm1      2.295 ppm2      2.515 CV     1
 OR {  109}
   (( segid "BBBB" and resid 58   and name HG2 ))
   (( segid "BBBB" and resid 57   and name HB2 ))
 OR {  109}
   (( segid "BBBB" and resid 45   and name HG2 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 OR {  109}
   (( segid "AAAA" and resid 45   and name HG2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 ASSI {  113}
   (( segid "BBBB" and resid 26   and name HB2 ))
   (( segid "BBBB" and resid 27   and name HG2 ))
      2.600     0.800     0.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.88780E-02 ppm1      2.037 ppm2      2.176 CV     1
 OR {  113}
   (( segid "AAAA" and resid 26   and name HB2 ))
   (( segid "AAAA" and resid 27   and name HG2 ))
 OR {  113}
   (( segid "AAAA" and resid 35   and name HB  ))
   (( segid "AAAA" and resid 67   and name HB2 ))
 OR {  113}
   (( segid "BBBB" and resid 35   and name HB  ))
   (( segid "BBBB" and resid 67   and name HB2 ))
 ASSI {  114}
   (( segid "BBBB" and resid 26   and name HB2 ))
   (( segid "BBBB" and resid 27   and name HG2 ))
      2.500     0.800     0.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.98055E-02 ppm1      2.049 ppm2      2.187 CV     1
 OR {  114}
   (( segid "AAAA" and resid 26   and name HB2 ))
   (( segid "AAAA" and resid 27   and name HG2 ))
 OR {  114}
   (( segid "BBBB" and resid 37   and name HB2 ))
   (( segid "BBBB" and resid 40   and name HB2 ))
 OR {  114}
   (( segid "AAAA" and resid 37   and name HB2 ))
   (( segid "AAAA" and resid 40   and name HB2 ))
 ASSI {  116}
   (( segid "BBBB" and resid 57   and name HB2 ))
   (( segid "BBBB" and resid 57   and name HA  ))
      2.500     0.800     0.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.83355E-02 ppm1      2.506 ppm2      4.294 CV     1
 OR {  116}
   (( segid "AAAA" and resid 57   and name HB2 ))
   (( segid "AAAA" and resid 57   and name HA  ))
 ASSI {  117}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 87   and name HA  ))
      2.800     2.800     3.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.58550E-02 ppm1      0.760 ppm2      4.329 CV     1
 OR {  117}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 69   and name HA  ))
 OR {  117}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 69   and name HA  ))
 ASSI {  119}
   (( segid "AAAA" and resid 26   and name HB2 ))
   (( segid "AAAA" and resid 24   and name HA  ))
      2.300     0.600     0.600 peak   119 spectrum    1 weight  0.10000E+01 volume  0.11495E-01 ppm1      2.061 ppm2      3.674 CV     1
 OR {  119}
   (( segid "BBBB" and resid 26   and name HB2 ))
   (( segid "BBBB" and resid 24   and name HA  ))
 OR {  119}
   (( segid "BBBB" and resid 70   and name HG2 ))
   (( segid "BBBB" and resid 24   and name HA  ))
 OR {  119}
   (( segid "AAAA" and resid 70   and name HG2 ))
   (( segid "AAAA" and resid 24   and name HA  ))
 OR {  119}
   (( segid "BBBB" and resid 70   and name HG2 ))
   (( segid "BBBB" and resid 32   and name HB2 ))
 ASSI {  120}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 59   and name HA  ))
      3.300     3.300     2.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.71515E-02 ppm1      2.530 ppm2      4.118 CV     1
 OR {  120}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 59   and name HA  ))
 ASSI {  121}
   (( segid "BBBB" and resid 43   and name HA  ))
   (( segid "BBBB" and resid 43   and name HB  ))
      2.800     1.000     1.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.41420E-02 ppm1      3.807 ppm2      4.101 CV     1
 OR {  121}
   (( segid "AAAA" and resid 43   and name HA  ))
   (( segid "AAAA" and resid 43   and name HB  ))
 OR {  121}
   (( segid "BBBB" and resid 21   and name HA  ))
   (( segid "BBBB" and resid 17   and name HA  ))
 OR {  121}
   (( segid "AAAA" and resid 21   and name HA  ))
   (( segid "AAAA" and resid 17   and name HA  ))
 OR {  121}
   (( segid "BBBB" and resid 22   and name HA  ))
   (( segid "BBBB" and resid 18   and name HA  ))
 OR {  121}
   (( segid "AAAA" and resid 22   and name HA  ))
   (( segid "AAAA" and resid 18   and name HA  ))
 ASSI {  131}
   (( segid "BBBB" and resid 80   and name HB  ))
   (( segid "BBBB" and resid 79   and name HN  ))
      2.900     1.100     1.100 peak   131 spectrum    1 weight  0.10000E+01 volume  0.65831E-02 ppm1      1.428 ppm2      6.857 CV     1
 OR {  131}
   (( segid "AAAA" and resid 80   and name HB  ))
   (( segid "AAAA" and resid 79   and name HN  ))
 ASSI {  134}
   (( segid "BBBB" and resid 59   and name HB2 ))
   (( segid "BBBB" and resid 60   and name HG2 ))
      2.200     2.200     3.800 peak   134 spectrum    1 weight  0.10000E+01 volume  0.15894E-01 ppm1      1.862 ppm2      2.199 CV     1
 OR {  134}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 60   and name HG2 ))
 OR {  134}
   (( segid "AAAA" and resid 61   and name HB2 ))
   (( segid "AAAA" and resid 65   and name HB  ))
 OR {  134}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 65   and name HB  ))
 ASSI {  137}
   (( segid "BBBB" and resid 68   and name HB2 ))
   (( segid "BBBB" and resid 78   and name HD2 ))
      3.400     1.400     1.400 peak   137 spectrum    1 weight  0.10000E+01 volume  0.11900E-02 ppm1      3.092 ppm2      3.182 CV     1
 OR {  137}
   (( segid "AAAA" and resid 68   and name HB2 ))
   (( segid "AAAA" and resid 78   and name HD2 ))
 ASSI {  138}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "BBBB" and resid 1    and name HA  ))
      2.800     1.000     1.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.50438E-02 ppm1      1.112 ppm2      4.311 CV     1
 OR {  138}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (( segid "BBBB" and resid 41   and name HA  ))
 OR {  138}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 41   and name HA  ))
 ASSI {  139}
   (  segid "BBBB" and resid 23   and name HD% )
   (  segid "BBBB" and resid 20   and name HE% )
      2.400     0.700     0.700 peak   139 spectrum    1 weight  0.10000E+01 volume  0.57613E-02 ppm1      6.854 ppm2      7.079 CV     1
 OR {  139}
   (  segid "AAAA" and resid 23   and name HD% )
   (  segid "AAAA" and resid 20   and name HE% )
 OR {  139}
   (  segid "AAAA" and resid 76   and name HD% )
   (  segid "AAAA" and resid 21   and name HE% )
 OR {  139}
   (  segid "BBBB" and resid 76   and name HD% )
   (  segid "BBBB" and resid 21   and name HE% )
 ASSI {  141}
   (( segid "AAAA" and resid 18   and name HB2 ))
   (( segid "AAAA" and resid 18   and name HA  ))
      3.300     1.300     1.300 peak   141 spectrum    1 weight  0.10000E+01 volume  0.12503E-02 ppm1      3.889 ppm2      4.066 CV     1
 OR {  141}
   (( segid "BBBB" and resid 18   and name HB2 ))
   (( segid "BBBB" and resid 18   and name HA  ))
 OR {  141}
   (( segid "AAAA" and resid 18   and name HB1 ))
   (( segid "AAAA" and resid 18   and name HA  ))
 OR {  141}
   (( segid "BBBB" and resid 18   and name HB1 ))
   (( segid "BBBB" and resid 18   and name HA  ))
 ASSI {  142}
   (( segid "BBBB" and resid 98   and name HD2 ))
   (( segid "BBBB" and resid 98   and name HE2 ))
      2.500     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.72365E-02 ppm1      1.604 ppm2      3.176 CV     1
 OR {  142}
   (( segid "AAAA" and resid 98   and name HD2 ))
   (( segid "AAAA" and resid 98   and name HE2 ))
 ASSI {  145}
   (  segid "AAAA" and resid 21   and name HD% )
   (  segid "AAAA" and resid 76   and name HD% )
      2.900     1.000     1.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.58404E-02 ppm1      6.713 ppm2      6.851 CV     1
 OR {  145}
   (  segid "BBBB" and resid 21   and name HD% )
   (  segid "BBBB" and resid 76   and name HD% )
 OR {  145}
   (  segid "AAAA" and resid 21   and name HD% )
   (  segid "AAAA" and resid 23   and name HD% )
 OR {  145}
   (  segid "BBBB" and resid 21   and name HD% )
   (  segid "BBBB" and resid 23   and name HD% )
 ASSI {  147}
   (( segid "BBBB" and resid 51   and name HG2 ))
   (( segid "BBBB" and resid 51   and name HA  ))
      2.500     0.800     0.800 peak   147 spectrum    1 weight  0.10000E+01 volume  0.77204E-02 ppm1      1.346 ppm2      3.960 CV     1
 OR {  147}
   (( segid "AAAA" and resid 51   and name HG2 ))
   (( segid "AAAA" and resid 51   and name HA  ))
 ASSI {  149}
   (( segid "AAAA" and resid 85   and name HG2 ))
   (( segid "AAAA" and resid 82   and name HA  ))
      2.800     1.000     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.60291E-02 ppm1      1.522 ppm2      3.832 CV     1
 OR {  149}
   (( segid "BBBB" and resid 85   and name HG2 ))
   (( segid "BBBB" and resid 82   and name HA  ))
 OR {  149}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 OR {  149}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 OR {  149}
   (( segid "AAAA" and resid 96   and name HG2 ))
   (( segid "AAAA" and resid 94   and name HA2 ))
 ASSI {  150}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 76   and name HB2 ))
      2.700     2.700     3.300 peak   150 spectrum    1 weight  0.10000E+01 volume  0.11501E-01 ppm1      1.510 ppm2      2.825 CV     1
 OR {  150}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 76   and name HB2 ))
 ASSI {  157}
   (( segid "AAAA" and resid 40   and name HB2 ))
   (( segid "AAAA" and resid 44   and name HB2 ))
      3.600     1.600     1.600 peak   157 spectrum    1 weight  0.10000E+01 volume  0.84538E-03 ppm1      2.248 ppm2      2.357 CV     1
 OR {  157}
   (( segid "BBBB" and resid 40   and name HB2 ))
   (( segid "BBBB" and resid 44   and name HB2 ))
 OR {  157}
   (( segid "BBBB" and resid 40   and name HB2 ))
   (( segid "BBBB" and resid 37   and name HG2 ))
 OR {  157}
   (( segid "AAAA" and resid 40   and name HB2 ))
   (( segid "AAAA" and resid 37   and name HG2 ))
 OR {  157}
   (( segid "AAAA" and resid 90   and name HG2 ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 OR {  157}
   (( segid "BBBB" and resid 27   and name HG2 ))
   (( segid "BBBB" and resid 37   and name HG2 ))
 ASSI {  160}
   (( segid "BBBB" and resid 88   and name HG2 ))
   (( segid "BBBB" and resid 85   and name HA  ))
      2.700     2.700     3.300 peak   160 spectrum    1 weight  0.10000E+01 volume  0.81358E-02 ppm1      1.580 ppm2      3.551 CV     1
 OR {  160}
   (( segid "AAAA" and resid 88   and name HG2 ))
   (( segid "AAAA" and resid 85   and name HA  ))
 ASSI {  161}
   (( segid "AAAA" and resid 93   and name HG  ))
   (( segid "AAAA" and resid 93   and name HA  ))
      2.300     0.700     0.700 peak   161 spectrum    1 weight  0.10000E+01 volume  0.73306E-02 ppm1      1.404 ppm2      4.089 CV     1
 OR {  161}
   (( segid "BBBB" and resid 93   and name HG  ))
   (( segid "BBBB" and resid 93   and name HA  ))
 ASSI {  162}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 79   and name HB2 ))
      2.400     0.700     0.700 peak   162 spectrum    1 weight  0.10000E+01 volume  0.86727E-02 ppm1      1.908 ppm2      2.240 CV     1
 OR {  162}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 79   and name HB2 ))
 ASSI {  163}
   (( segid "AAAA" and resid 61   and name HG2 ))
   (( segid "AAAA" and resid 61   and name HD2 ))
      2.600     0.800     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.30176E-02 ppm1      1.428 ppm2      1.667 CV     1
 OR {  163}
   (( segid "BBBB" and resid 61   and name HG2 ))
   (( segid "BBBB" and resid 61   and name HD2 ))
 OR {  163}
   (( segid "BBBB" and resid 46   and name HG  ))
   (( segid "BBBB" and resid 46   and name HB2 ))
 OR {  163}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 9    and name HB2 ))
 OR {  163}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 46   and name HB2 ))
 OR {  163}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 9    and name HB2 ))
 OR {  163}
   (( segid "AAAA" and resid 93   and name HG  ))
   (( segid "AAAA" and resid 93   and name HB2 ))
 ASSI {  165}
   (  segid "AAAA" and resid 35   and name HG2%)
   (( segid "AAAA" and resid 35   and name HA  ))
      2.400     0.700     0.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.68302E-02 ppm1      1.674 ppm2      4.405 CV     1
 OR {  165}
   (  segid "BBBB" and resid 35   and name HG2%)
   (( segid "BBBB" and resid 35   and name HA  ))
 OR {  165}
   (( segid "BBBB" and resid 6    and name HB2 ))
   (( segid "BBBB" and resid 6    and name HA  ))
 OR {  165}
   (( segid "AAAA" and resid 6    and name HB2 ))
   (( segid "AAAA" and resid 6    and name HA  ))
 ASSI {  168}
   (( segid "AAAA" and resid 47   and name HB2 ))
   (( segid "AAAA" and resid 44   and name HA  ))
      2.800     2.800     3.200 peak   168 spectrum    1 weight  0.10000E+01 volume  0.63466E-02 ppm1      2.026 ppm2      4.235 CV     1
 OR {  168}
   (( segid "AAAA" and resid 47   and name HB1 ))
   (( segid "AAAA" and resid 44   and name HA  ))
 OR {  168}
   (( segid "BBBB" and resid 47   and name HB2 ))
   (( segid "BBBB" and resid 44   and name HA  ))
 OR {  168}
   (( segid "BBBB" and resid 47   and name HB1 ))
   (( segid "BBBB" and resid 44   and name HA  ))
 OR {  168}
   (( segid "AAAA" and resid 58   and name HB2 ))
   (( segid "BBBB" and resid 4    and name HA  ))
 OR {  168}
   (( segid "BBBB" and resid 47   and name HB2 ))
   (( segid "BBBB" and resid 49   and name HA  ))
 OR {  168}
   (( segid "AAAA" and resid 47   and name HB2 ))
   (( segid "AAAA" and resid 49   and name HA  ))
 OR {  168}
   (( segid "BBBB" and resid 47   and name HB1 ))
   (( segid "BBBB" and resid 49   and name HA  ))
 OR {  168}
   (( segid "AAAA" and resid 47   and name HB1 ))
   (( segid "AAAA" and resid 49   and name HA  ))
 ASSI {  171}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "BBBB" and resid 1    and name HA  ))
      2.800     1.000     1.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.47774E-02 ppm1      4.147 ppm2      4.358 CV     1
 OR {  171}
   (( segid "BBBB" and resid 59   and name HA  ))
   (( segid "AAAA" and resid 1    and name HA  ))
 OR {  171}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "BBBB" and resid 2    and name HA  ))
 OR {  171}
   (( segid "BBBB" and resid 59   and name HA  ))
   (( segid "AAAA" and resid 2    and name HA  ))
 OR {  171}
   (( segid "BBBB" and resid 15   and name HA  ))
   (( segid "AAAA" and resid 12   and name HA  ))
 OR {  171}
   (( segid "AAAA" and resid 15   and name HA  ))
   (( segid "BBBB" and resid 12   and name HA  ))
 ASSI {  174}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 43   and name HA  ))
      2.400     0.700     0.700 peak   174 spectrum    1 weight  0.10000E+01 volume  0.67674E-02 ppm1      1.440 ppm2      3.820 CV     1
 OR {  174}
   (( segid "BBBB" and resid 46   and name HG  ))
   (( segid "BBBB" and resid 43   and name HA  ))
 OR {  174}
   (( segid "AAAA" and resid 83   and name HG  ))
   (( segid "AAAA" and resid 16   and name HA  ))
 OR {  174}
   (( segid "BBBB" and resid 46   and name HG  ))
   (( segid "BBBB" and resid 53   and name HA  ))
 OR {  174}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 53   and name HA  ))
 OR {  174}
   (( segid "AAAA" and resid 80   and name HB  ))
   (( segid "AAAA" and resid 81   and name HA1 ))
 OR {  174}
   (( segid "BBBB" and resid 80   and name HB  ))
   (( segid "BBBB" and resid 81   and name HA1 ))
 OR {  174}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 16   and name HA  ))
 OR {  174}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 16   and name HA  ))
 ASSI {  176}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 51   and name HG2 ))
      3.700     1.700     1.700 peak   176 spectrum    1 weight  0.10000E+01 volume  0.89264E-03 ppm1      1.194 ppm2      1.357 CV     1
 OR {  176}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 51   and name HG2 ))
 OR {  176}
   (  segid "BBBB" and resid 5    and name HG2%)
   (  segid "BBBB" and resid 7    and name HG2%)
 ASSI {  177}
   (( segid "AAAA" and resid 51   and name HB2 ))
   (( segid "AAAA" and resid 48   and name HB2 ))
      2.100     0.500     0.500 peak   177 spectrum    1 weight  0.10000E+01 volume  0.92390E-02 ppm1      1.779 ppm2      3.317 CV     1
 OR {  177}
   (( segid "BBBB" and resid 51   and name HB2 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 ASSI {  183}
   (( segid "BBBB" and resid 6    and name HG  ))
   (( segid "BBBB" and resid 6    and name HA  ))
      2.400     0.700     0.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.60587E-02 ppm1      1.475 ppm2      4.370 CV     1
 OR {  183}
   (( segid "AAAA" and resid 6    and name HG  ))
   (( segid "AAAA" and resid 6    and name HA  ))
 OR {  183}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 75   and name HA  ))
 ASSI {  184}
   (( segid "BBBB" and resid 38   and name HA  ))
   (  segid "BBBB" and resid 20   and name HE% )
      2.300     0.700     0.700 peak   184 spectrum    1 weight  0.10000E+01 volume  0.60328E-02 ppm1      4.170 ppm2      7.102 CV     1
 OR {  184}
   (( segid "AAAA" and resid 38   and name HA  ))
   (  segid "AAAA" and resid 20   and name HE% )
 OR {  184}
   (( segid "BBBB" and resid 9    and name HA  ))
   (  segid "AAAA" and resid 21   and name HE% )
 ASSI {  189}
   (( segid "BBBB" and resid 96   and name HB2 ))
   (( segid "BBBB" and resid 96   and name HD2 ))
      2.600     0.800     0.800 peak   189 spectrum    1 weight  0.10000E+01 volume  0.74197E-02 ppm1      1.768 ppm2      3.112 CV     1
 OR {  189}
   (( segid "AAAA" and resid 96   and name HB2 ))
   (( segid "AAAA" and resid 96   and name HD2 ))
 OR {  189}
   (( segid "BBBB" and resid 51   and name HB2 ))
   (( segid "BBBB" and resid 51   and name HE2 ))
 OR {  189}
   (( segid "AAAA" and resid 51   and name HB2 ))
   (( segid "AAAA" and resid 51   and name HE2 ))
 ASSI {  190}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 39   and name HA  ))
      2.300     0.700     0.700 peak   190 spectrum    1 weight  0.10000E+01 volume  0.46925E-02 ppm1      2.506 ppm2      3.978 CV     1
 OR {  190}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 39   and name HA  ))
 OR {  190}
   (( segid "AAAA" and resid 40   and name HG2 ))
   (( segid "AAAA" and resid 40   and name HA  ))
 OR {  190}
   (( segid "BBBB" and resid 40   and name HG2 ))
   (( segid "BBBB" and resid 40   and name HA  ))
 OR {  190}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 40   and name HA  ))
 ASSI {  193}
   (( segid "AAAA" and resid 29   and name HG2 ))
   (( segid "AAAA" and resid 29   and name HD2 ))
      2.500     0.800     0.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.61903E-02 ppm1      1.803 ppm2      3.170 CV     1
 OR {  193}
   (( segid "BBBB" and resid 29   and name HG2 ))
   (( segid "BBBB" and resid 29   and name HD2 ))
 ASSI {  195}
   (( segid "AAAA" and resid 13   and name HG11))
   (( segid "BBBB" and resid 86   and name HG2 ))
      2.600     2.600     3.400 peak   195 spectrum    1 weight  0.10000E+01 volume  0.88612E-02 ppm1      1.604 ppm2      2.334 CV     1
 OR {  195}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 44   and name HB2 ))
 OR {  195}
   (( segid "AAAA" and resid 41   and name HB2 ))
   (( segid "AAAA" and resid 44   and name HB2 ))
 ASSI {  197}
   (( segid "AAAA" and resid 90   and name HA  ))
   (( segid "AAAA" and resid 87   and name HA  ))
      3.400     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.26699E-02 ppm1      4.030 ppm2      4.300 CV     1
 OR {  197}
   (( segid "BBBB" and resid 90   and name HA  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {  197}
   (( segid "BBBB" and resid 58   and name HA  ))
   (( segid "BBBB" and resid 57   and name HA  ))
 OR {  197}
   (( segid "AAAA" and resid 58   and name HA  ))
   (( segid "AAAA" and resid 57   and name HA  ))
 OR {  197}
   (( segid "AAAA" and resid 88   and name HA  ))
   (( segid "AAAA" and resid 87   and name HA  ))
 ASSI {  199}
   (( segid "AAAA" and resid 14   and name HB2 ))
   (( segid "AAAA" and resid 12   and name HA  ))
      2.900     1.100     1.100 peak   199 spectrum    1 weight  0.10000E+01 volume  0.31989E-02 ppm1      2.061 ppm2      4.393 CV     1
 OR {  199}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 12   and name HA  ))
 OR {  199}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 15   and name HB  ))
 OR {  199}
   (( segid "AAAA" and resid 14   and name HB2 ))
   (( segid "AAAA" and resid 15   and name HB  ))
 OR {  199}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "AAAA" and resid 15   and name HB  ))
 OR {  199}
   (( segid "AAAA" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 15   and name HB  ))
 OR {  199}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "AAAA" and resid 12   and name HA  ))
 ASSI {  200}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 75   and name HN  ))
      2.700     0.900     0.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.57354E-02 ppm1      1.440 ppm2      7.085 CV     1
 OR {  200}
   (( segid "BBBB" and resid 9    and name HG  ))
   (  segid "AAAA" and resid 21   and name HE% )
 OR {  200}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 75   and name HN  ))
 OR {  200}
   (( segid "AAAA" and resid 9    and name HG  ))
   (  segid "BBBB" and resid 21   and name HE% )
 OR {  200}
   (( segid "BBBB" and resid 71   and name HG  ))
   (  segid "BBBB" and resid 73   and name HE% )
 OR {  200}
   (( segid "AAAA" and resid 71   and name HG  ))
   (  segid "AAAA" and resid 73   and name HE% )
 OR {  200}
   (( segid "AAAA" and resid 83   and name HG  ))
   (  segid "AAAA" and resid 21   and name HE% )
 ASSI {  206}
   (( segid "BBBB" and resid 60   and name HB2 ))
   (( segid "BBBB" and resid 57   and name HB2 ))
      2.700     0.900     0.900 peak   206 spectrum    1 weight  0.10000E+01 volume  0.72012E-02 ppm1      1.721 ppm2      2.521 CV     1
 OR {  206}
   (( segid "AAAA" and resid 60   and name HB2 ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 ASSI {  207}
   (( segid "AAAA" and resid 49   and name HB2 ))
   (( segid "AAAA" and resid 49   and name HA  ))
      2.800     0.900     0.900 peak   207 spectrum    1 weight  0.10000E+01 volume  0.39080E-02 ppm1      1.580 ppm2      4.224 CV     1
 OR {  207}
   (( segid "BBBB" and resid 49   and name HB2 ))
   (( segid "BBBB" and resid 49   and name HA  ))
 OR {  207}
   (( segid "BBBB" and resid 96   and name HG2 ))
   (( segid "BBBB" and resid 96   and name HA  ))
 OR {  207}
   (( segid "AAAA" and resid 96   and name HG2 ))
   (( segid "AAAA" and resid 96   and name HA  ))
 ASSI {  209}
   (( segid "AAAA" and resid 97   and name HG2 ))
   (( segid "BBBB" and resid 73   and name HB2 ))
      3.000     1.100     1.100 peak   209 spectrum    1 weight  0.10000E+01 volume  0.38982E-02 ppm1      1.311 ppm2      3.012 CV     1
 OR {  209}
   (( segid "BBBB" and resid 97   and name HG2 ))
   (( segid "AAAA" and resid 73   and name HB2 ))
 ASSI {  211}
   (  segid "BBBB" and resid 35   and name HG2%)
   (( segid "BBBB" and resid 66   and name HB2 ))
      2.500     2.500     3.500 peak   211 spectrum    1 weight  0.10000E+01 volume  0.42268E-02 ppm1      1.651 ppm2      3.252 CV     1
 OR {  211}
   (  segid "AAAA" and resid 35   and name HG2%)
   (( segid "AAAA" and resid 66   and name HB2 ))
 ASSI {  212}
   (( segid "AAAA" and resid 76   and name HB2 ))
   (( segid "BBBB" and resid 94   and name HA1 ))
      2.400     0.700     0.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.80161E-02 ppm1      2.858 ppm2      3.814 CV     1
 OR {  212}
   (( segid "BBBB" and resid 76   and name HB2 ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  212}
   (( segid "AAAA" and resid 76   and name HB2 ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 ASSI {  213}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (  segid "BBBB" and resid 21   and name HE% )
      2.800     2.800     3.200 peak   213 spectrum    1 weight  0.10000E+01 volume  0.62323E-02 ppm1      1.276 ppm2      7.102 CV     1
 OR {  213}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (  segid "AAAA" and resid 21   and name HE% )
 OR {  213}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (  segid "BBBB" and resid 20   and name HE% )
 OR {  213}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (  segid "AAAA" and resid 20   and name HE% )
 OR {  213}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (  segid "BBBB" and resid 20   and name HE% )
 ASSI {  217}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 43   and name HB  ))
      2.600     0.900     0.900 peak   217 spectrum    1 weight  0.10000E+01 volume  0.31814E-02 ppm1      1.112 ppm2      4.095 CV     1
 OR {  217}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (( segid "BBBB" and resid 43   and name HB  ))
 ASSI {  222}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
      2.300     0.700     0.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.73936E-02 ppm1      1.475 ppm2      2.316 CV     1
 OR {  222}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 OR {  222}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 OR {  222}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
 OR {  222}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 OR {  222}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 OR {  222}
   (( segid "BBBB" and resid 83   and name HG  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 ASSI {  224}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 83   and name HA  ))
      3.000     1.100     1.100 peak   224 spectrum    1 weight  0.10000E+01 volume  0.28844E-02 ppm1      3.561 ppm2      3.949 CV     1
 OR {  224}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 83   and name HA  ))
 OR {  224}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 83   and name HA  ))
 OR {  224}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 83   and name HA  ))
 ASSI {  226}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
      2.900     2.900     3.100 peak   226 spectrum    1 weight  0.10000E+01 volume  0.52004E-02 ppm1      1.873 ppm2      2.328 CV     1
 OR {  226}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 58   and name HG2 ))
 OR {  226}
   (( segid "BBBB" and resid 59   and name HB2 ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 OR {  226}
   (( segid "AAAA" and resid 61   and name HB2 ))
   (( segid "AAAA" and resid 58   and name HG2 ))
 OR {  226}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 ASSI {  233}
   (( segid "AAAA" and resid 33   and name HB2 ))
   (( segid "AAAA" and resid 70   and name HG2 ))
      2.800     1.000     1.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.23940E-02 ppm1      1.955 ppm2      2.070 CV     1
 OR {  233}
   (( segid "BBBB" and resid 33   and name HB2 ))
   (( segid "BBBB" and resid 70   and name HG2 ))
 OR {  233}
   (( segid "AAAA" and resid 13   and name HB  ))
   (( segid "AAAA" and resid 14   and name HB2 ))
 ASSI {  236}
   (( segid "BBBB" and resid 25   and name HA2 ))
   (( segid "BBBB" and resid 25   and name HA1 ))
      2.800     2.800     3.200 peak   236 spectrum    1 weight  0.10000E+01 volume  0.15885E-02 ppm1      3.889 ppm2      4.153 CV     1
 OR {  236}
   (( segid "AAAA" and resid 25   and name HA2 ))
   (( segid "AAAA" and resid 25   and name HA1 ))
 ASSI {  237}
   (( segid "BBBB" and resid 9    and name HB2 ))
   (( segid "BBBB" and resid 10   and name HA  ))
      3.000     1.100     1.100 peak   237 spectrum    1 weight  0.10000E+01 volume  0.33379E-02 ppm1      1.709 ppm2      3.703 CV     1
 OR {  237}
   (( segid "AAAA" and resid 9    and name HB2 ))
   (( segid "AAAA" and resid 10   and name HA  ))
 OR {  237}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 32   and name HB2 ))
 OR {  237}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 32   and name HB2 ))
 OR {  237}
   (( segid "AAAA" and resid 6    and name HB2 ))
   (( segid "AAAA" and resid 10   and name HA  ))
 OR {  237}
   (( segid "BBBB" and resid 6    and name HB2 ))
   (( segid "BBBB" and resid 10   and name HA  ))
 ASSI {  240}
   (( segid "BBBB" and resid 47   and name HB1 ))
   (( segid "BBBB" and resid 47   and name HA  ))
      3.100     1.200     1.200 peak   240 spectrum    1 weight  0.10000E+01 volume  0.15279E-02 ppm1      2.014 ppm2      4.177 CV     1
 OR {  240}
   (( segid "AAAA" and resid 47   and name HB1 ))
   (( segid "AAAA" and resid 47   and name HA  ))
 OR {  240}
   (( segid "BBBB" and resid 47   and name HB2 ))
   (( segid "BBBB" and resid 47   and name HA  ))
 OR {  240}
   (( segid "AAAA" and resid 47   and name HB2 ))
   (( segid "AAAA" and resid 47   and name HA  ))
 ASSI {  242}
   (( segid "BBBB" and resid 73   and name HB2 ))
   (  segid "BBBB" and resid 73   and name HD% )
      2.600     0.900     0.900 peak   242 spectrum    1 weight  0.10000E+01 volume  0.40817E-02 ppm1      3.022 ppm2      6.582 CV     1
 OR {  242}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (  segid "BBBB" and resid 20   and name HD% )
 OR {  242}
   (( segid "AAAA" and resid 20   and name HB2 ))
   (  segid "AAAA" and resid 20   and name HD% )
 OR {  242}
   (( segid "AAAA" and resid 73   and name HB2 ))
   (  segid "AAAA" and resid 73   and name HD% )
 ASSI {  246}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "BBBB" and resid 4    and name HA  ))
      2.900     1.100     1.100 peak   246 spectrum    1 weight  0.10000E+01 volume  0.34742E-02 ppm1      2.764 ppm2      4.288 CV     1
 OR {  246}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (( segid "AAAA" and resid 22   and name HB  ))
 OR {  246}
   (( segid "BBBB" and resid 23   and name HB2 ))
   (( segid "BBBB" and resid 22   and name HB  ))
 OR {  246}
   (( segid "BBBB" and resid 52   and name HB2 ))
   (( segid "AAAA" and resid 4    and name HA  ))
 ASSI {  252}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.53741E-02 ppm1      3.069 ppm2      3.855 CV     1
 OR {  252}
   (( segid "AAAA" and resid 20   and name HB2 ))
   (( segid "AAAA" and resid 21   and name HA  ))
 OR {  252}
   (( segid "BBBB" and resid 51   and name HE2 ))
   (( segid "BBBB" and resid 53   and name HA  ))
 OR {  252}
   (( segid "AAAA" and resid 51   and name HE2 ))
   (( segid "AAAA" and resid 53   and name HA  ))
 OR {  252}
   (( segid "AAAA" and resid 59   and name HD2 ))
   (( segid "AAAA" and resid 53   and name HA  ))
 OR {  252}
   (( segid "BBBB" and resid 59   and name HD2 ))
   (( segid "BBBB" and resid 53   and name HA  ))
 ASSI {  257}
   (( segid "AAAA" and resid 2    and name HA  ))
   (( segid "BBBB" and resid 42   and name HN  ))
      3.000     3.000     3.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.29209E-02 ppm1      4.393 ppm2      8.501 CV     1
 OR {  257}
   (( segid "BBBB" and resid 2    and name HA  ))
   (( segid "AAAA" and resid 42   and name HN  ))
 ASSI {  259}
   (( segid "AAAA" and resid 74   and name HA  ))
   (( segid "AAAA" and resid 75   and name HA  ))
      3.500     1.500     1.500 peak   259 spectrum    1 weight  0.10000E+01 volume  0.15216E-02 ppm1      4.030 ppm2      4.364 CV     1
 OR {  259}
   (( segid "BBBB" and resid 74   and name HA  ))
   (( segid "BBBB" and resid 75   and name HA  ))
 OR {  259}
   (( segid "AAAA" and resid 89   and name HA  ))
   (( segid "BBBB" and resid 6    and name HA  ))
 OR {  259}
   (( segid "BBBB" and resid 89   and name HA  ))
   (( segid "AAAA" and resid 6    and name HA  ))
 OR {  259}
   (( segid "BBBB" and resid 58   and name HA  ))
   (( segid "AAAA" and resid 2    and name HA  ))
 OR {  259}
   (( segid "AAAA" and resid 58   and name HA  ))
   (( segid "BBBB" and resid 2    and name HA  ))
 OR {  259}
   (( segid "BBBB" and resid 58   and name HA  ))
   (( segid "AAAA" and resid 1    and name HA  ))
 OR {  259}
   (( segid "AAAA" and resid 58   and name HA  ))
   (( segid "BBBB" and resid 1    and name HA  ))
 OR {  259}
   (( segid "AAAA" and resid 61   and name HA  ))
   (( segid "BBBB" and resid 2    and name HA  ))
 ASSI {  260}
   (( segid "AAAA" and resid 13   and name HG12))
   (( segid "BBBB" and resid 86   and name HG2 ))
      2.800     1.000     1.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.45009E-02 ppm1      1.791 ppm2      2.334 CV     1
 OR {  260}
   (( segid "AAAA" and resid 83   and name HB2 ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 OR {  260}
   (( segid "BBBB" and resid 83   and name HB2 ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 OR {  260}
   (( segid "BBBB" and resid 45   and name HB2 ))
   (( segid "BBBB" and resid 44   and name HB2 ))
 OR {  260}
   (( segid "AAAA" and resid 45   and name HB2 ))
   (( segid "AAAA" and resid 44   and name HB2 ))
 OR {  260}
   (( segid "AAAA" and resid 83   and name HB2 ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 ASSI {  261}
   (( segid "BBBB" and resid 51   and name HG2 ))
   (( segid "BBBB" and resid 46   and name HN  ))
      3.000     1.200     1.200 peak   261 spectrum    1 weight  0.10000E+01 volume  0.28488E-02 ppm1      1.369 ppm2      7.284 CV     1
 OR {  261}
   (( segid "AAAA" and resid 51   and name HG2 ))
   (( segid "AAAA" and resid 46   and name HN  ))
 OR {  261}
   (  segid "BBBB" and resid 7    and name HG2%)
   (( segid "AAAA" and resid 86   and name HN  ))
 OR {  261}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 46   and name HN  ))
 OR {  261}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 86   and name HN  ))
 ASSI {  266}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (  segid "AAAA" and resid 38   and name HD% )
      3.400     3.400     2.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.22373E-02 ppm1      1.100 ppm2      7.020 CV     1
 ASSI {  267}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 42   and name HN  ))
      3.100     3.100     2.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.25300E-02 ppm1      1.428 ppm2      8.501 CV     1
 OR {  267}
   (( segid "BBBB" and resid 46   and name HG  ))
   (( segid "BBBB" and resid 42   and name HN  ))
 ASSI {  272}
   (( segid "BBBB" and resid 96   and name HD2 ))
   (( segid "BBBB" and resid 96   and name HA  ))
      2.500     0.800     0.800 peak   272 spectrum    1 weight  0.10000E+01 volume  0.58693E-02 ppm1      3.092 ppm2      4.229 CV     1
 OR {  272}
   (( segid "AAAA" and resid 96   and name HD2 ))
   (( segid "AAAA" and resid 96   and name HA  ))
 ASSI {  277}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (( segid "AAAA" and resid 16   and name HN  ))
      2.900     1.100     1.100 peak   277 spectrum    1 weight  0.10000E+01 volume  0.39387E-02 ppm1      1.252 ppm2      8.641 CV     1
 OR {  277}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (( segid "BBBB" and resid 16   and name HN  ))
 OR {  277}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (( segid "BBBB" and resid 9    and name HN  ))
 ASSI {  278}
   (( segid "AAAA" and resid 41   and name HG  ))
   (  segid "AAAA" and resid 38   and name HD% )
      2.700     0.900     0.900 peak   278 spectrum    1 weight  0.10000E+01 volume  0.41972E-02 ppm1      0.994 ppm2      7.015 CV     1
 OR {  278}
   (( segid "BBBB" and resid 41   and name HG  ))
   (  segid "BBBB" and resid 38   and name HD% )
 OR {  278}
   (( segid "BBBB" and resid 41   and name HG  ))
   (  segid "BBBB" and resid 23   and name HE% )
 ASSI {  279}
   (( segid "BBBB" and resid 85   and name HG2 ))
   (( segid "BBBB" and resid 85   and name HE2 ))
      2.900     1.000     1.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.32337E-02 ppm1      1.498 ppm2      3.048 CV     1
 OR {  279}
   (( segid "AAAA" and resid 85   and name HG2 ))
   (( segid "AAAA" and resid 85   and name HE2 ))
 OR {  279}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 20   and name HB2 ))
 ASSI {  284}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 42   and name HA  ))
      3.600     1.600     1.600 peak   284 spectrum    1 weight  0.10000E+01 volume  0.26270E-02 ppm1      1.240 ppm2      3.451 CV     1
 OR {  284}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 42   and name HA  ))
 ASSI {  287}
   (( segid "BBBB" and resid 88   and name HB2 ))
   (( segid "BBBB" and resid 85   and name HA  ))
      2.800     1.000     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.24709E-02 ppm1      1.451 ppm2      3.551 CV     1
 OR {  287}
   (( segid "AAAA" and resid 88   and name HB2 ))
   (( segid "AAAA" and resid 85   and name HA  ))
 OR {  287}
   (( segid "AAAA" and resid 80   and name HB  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  287}
   (( segid "BBBB" and resid 80   and name HB  ))
   (( segid "AAAA" and resid 84   and name HA  ))
 ASSI {  289}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (( segid "AAAA" and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   289 spectrum    1 weight  0.10000E+01 volume  0.36544E-02 ppm1      1.276 ppm2      8.243 CV     1
 OR {  289}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (( segid "BBBB" and resid 17   and name HN  ))
 OR {  289}
   (( segid "BBBB" and resid 98   and name HG2 ))
   (( segid "BBBB" and resid 97   and name HN  ))
 ASSI {  298}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 86   and name HA  ))
      3.000     1.100     1.100 peak   298 spectrum    1 weight  0.10000E+01 volume  0.29242E-02 ppm1      3.561 ppm2      4.101 CV     1
 OR {  298}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {  298}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {  298}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 86   and name HA  ))
 ASSI {  299}
   (( segid "AAAA" and resid 90   and name HB2 ))
   (( segid "AAAA" and resid 84   and name HA  ))
      3.400     1.500     1.500 peak   299 spectrum    1 weight  0.10000E+01 volume  0.20769E-02 ppm1      2.072 ppm2      3.545 CV     1
 OR {  299}
   (( segid "BBBB" and resid 82   and name HB2 ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  299}
   (( segid "BBBB" and resid 82   and name HB2 ))
   (( segid "BBBB" and resid 85   and name HA  ))
 OR {  299}
   (( segid "AAAA" and resid 82   and name HB2 ))
   (( segid "AAAA" and resid 85   and name HA  ))
 OR {  299}
   (( segid "AAAA" and resid 82   and name HB2 ))
   (( segid "AAAA" and resid 84   and name HA  ))
 OR {  299}
   (( segid "AAAA" and resid 82   and name HB2 ))
   (( segid "BBBB" and resid 84   and name HA  ))
 ASSI {  300}
   (( segid "AAAA" and resid 76   and name HB2 ))
   (( segid "AAAA" and resid 76   and name HA  ))
      2.500     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.46272E-02 ppm1      2.881 ppm2      4.083 CV     1
 OR {  300}
   (( segid "BBBB" and resid 76   and name HB2 ))
   (( segid "BBBB" and resid 76   and name HA  ))
 ASSI {  301}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (  segid "BBBB" and resid 38   and name HD% )
      2.300     0.700     0.700 peak   301 spectrum    1 weight  0.10000E+01 volume  0.45882E-02 ppm1      3.080 ppm2      7.026 CV     1
 OR {  301}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (  segid "AAAA" and resid 38   and name HD% )
 OR {  301}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (  segid "BBBB" and resid 23   and name HE% )
 OR {  301}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 20   and name HN  ))
 OR {  301}
   (( segid "AAAA" and resid 20   and name HB2 ))
   (( segid "AAAA" and resid 20   and name HN  ))
 ASSI {  302}
   (( segid "AAAA" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 8    and name HA  ))
      3.600     1.600     1.600 peak   302 spectrum    1 weight  0.10000E+01 volume  0.34625E-02 ppm1      3.057 ppm2      4.112 CV     1
 OR {  302}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "AAAA" and resid 8    and name HA  ))
 ASSI {  305}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 89   and name HD2 ))
      3.000     1.100     1.100 peak   305 spectrum    1 weight  0.10000E+01 volume  0.11431E-02 ppm1      1.194 ppm2      1.556 CV     1
 OR {  305}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 89   and name HD2 ))
 ASSI {  310}
   (( segid "BBBB" and resid 62   and name HG1 ))
   (( segid "BBBB" and resid 58   and name HG2 ))
      2.800     2.800     3.200 peak   310 spectrum    1 weight  0.10000E+01 volume  0.48201E-02 ppm1      1.205 ppm2      2.316 CV     1
 OR {  310}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (( segid "AAAA" and resid 58   and name HG2 ))
 OR {  310}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 90   and name HG2 ))
 OR {  310}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 90   and name HG2 ))
 OR {  310}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 58   and name HG2 ))
 ASSI {  311}
   (( segid "BBBB" and resid 71   and name HB2 ))
   (( segid "BBBB" and resid 72   and name HD2 ))
      3.200     1.300     1.300 peak   311 spectrum    1 weight  0.10000E+01 volume  0.22835E-02 ppm1      2.131 ppm2      3.258 CV     1
 OR {  311}
   (( segid "AAAA" and resid 71   and name HB2 ))
   (( segid "AAAA" and resid 72   and name HD2 ))
 OR {  311}
   (( segid "BBBB" and resid 67   and name HB2 ))
   (( segid "BBBB" and resid 66   and name HB2 ))
 OR {  311}
   (( segid "AAAA" and resid 67   and name HB2 ))
   (( segid "AAAA" and resid 66   and name HB2 ))
 ASSI {  312}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 77   and name HN  ))
      3.300     1.400     1.400 peak   312 spectrum    1 weight  0.10000E+01 volume  0.23233E-02 ppm1      1.487 ppm2      9.279 CV     1
 OR {  312}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 77   and name HN  ))
 OR {  312}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 77   and name HN  ))
 OR {  312}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 77   and name HN  ))
 OR {  312}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 11   and name HN  ))
 OR {  312}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 11   and name HN  ))
 ASSI {  313}
   (( segid "AAAA" and resid 66   and name HB2 ))
   (  segid "AAAA" and resid 38   and name HD% )
      2.800     1.000     1.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.38792E-02 ppm1      3.221 ppm2      7.026 CV     1
 OR {  313}
   (( segid "BBBB" and resid 66   and name HB2 ))
   (  segid "BBBB" and resid 38   and name HD% )
 OR {  313}
   (( segid "BBBB" and resid 66   and name HB2 ))
   (  segid "BBBB" and resid 23   and name HE% )
 ASSI {  314}
   (( segid "BBBB" and resid 27   and name HB2 ))
   (( segid "BBBB" and resid 27   and name HG2 ))
      2.800     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.38911E-02 ppm1      1.733 ppm2      2.234 CV     1
 OR {  314}
   (( segid "AAAA" and resid 27   and name HB2 ))
   (( segid "AAAA" and resid 27   and name HG2 ))
 OR {  314}
   (( segid "BBBB" and resid 60   and name HB2 ))
   (( segid "BBBB" and resid 60   and name HG2 ))
 OR {  314}
   (( segid "AAAA" and resid 60   and name HB2 ))
   (( segid "AAAA" and resid 60   and name HG2 ))
 ASSI {  316}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 41   and name HB2 ))
      3.200     1.300     1.300 peak   316 spectrum    1 weight  0.10000E+01 volume  0.23404E-02 ppm1      1.205 ppm2      1.608 CV     1
 OR {  316}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 50   and name HB2 ))
 OR {  316}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 49   and name HB2 ))
 OR {  316}
   (( segid "AAAA" and resid 63   and name HG  ))
   (( segid "AAAA" and resid 41   and name HB2 ))
 ASSI {  317}
   (( segid "BBBB" and resid 70   and name HG2 ))
   (( segid "BBBB" and resid 72   and name HD2 ))
      2.900     1.000     1.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.31283E-02 ppm1      2.084 ppm2      3.311 CV     1
 OR {  317}
   (( segid "AAAA" and resid 70   and name HG2 ))
   (( segid "AAAA" and resid 72   and name HD2 ))
 OR {  317}
   (( segid "BBBB" and resid 47   and name HB2 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 OR {  317}
   (( segid "AAAA" and resid 47   and name HB2 ))
   (( segid "AAAA" and resid 48   and name HB2 ))
 ASSI {  322}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 78   and name HN  ))
      3.100     1.200     1.200 peak   322 spectrum    1 weight  0.10000E+01 volume  0.22902E-02 ppm1      1.463 ppm2      7.254 CV     1
 OR {  322}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 78   and name HN  ))
 OR {  322}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 77   and name HD1 ))
 OR {  322}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 77   and name HD1 ))
 ASSI {  323}
   (( segid "AAAA" and resid 40   and name HB2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      3.900     1.900     1.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.13246E-02 ppm1      2.201 ppm2      2.515 CV     1
 OR {  323}
   (( segid "BBBB" and resid 60   and name HG2 ))
   (( segid "BBBB" and resid 57   and name HB2 ))
 OR {  323}
   (( segid "AAAA" and resid 60   and name HG2 ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 OR {  323}
   (( segid "BBBB" and resid 40   and name HB2 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 ASSI {  324}
   (( segid "BBBB" and resid 47   and name HB1 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
      3.100     1.200     1.200 peak   324 spectrum    1 weight  0.10000E+01 volume  0.51190E-02 ppm1      2.014 ppm2      3.340 CV     1
 OR {  324}
   (( segid "BBBB" and resid 47   and name HB2 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 OR {  324}
   (( segid "AAAA" and resid 47   and name HB1 ))
   (( segid "AAAA" and resid 48   and name HB2 ))
 OR {  324}
   (( segid "AAAA" and resid 47   and name HB2 ))
   (( segid "AAAA" and resid 48   and name HB2 ))
 OR {  324}
   (( segid "BBBB" and resid 58   and name HB2 ))
   (( segid "BBBB" and resid 56   and name HA  ))
 ASSI {  330}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 72   and name HB2 ))
      2.300     0.700     0.700 peak   330 spectrum    1 weight  0.10000E+01 volume  0.58025E-02 ppm1      1.697 ppm2      2.310 CV     1
 OR {  330}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 72   and name HB2 ))
 OR {  330}
   (( segid "BBBB" and resid 9    and name HB2 ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 OR {  330}
   (( segid "AAAA" and resid 9    and name HB2 ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 ASSI {  332}
   (( segid "AAAA" and resid 13   and name HG12))
   (( segid "BBBB" and resid 86   and name HA  ))
      3.500     1.600     1.600 peak   332 spectrum    1 weight  0.10000E+01 volume  0.13515E-02 ppm1      1.756 ppm2      4.095 CV     1
 OR {  332}
   (( segid "AAAA" and resid 95   and name HB  ))
   (( segid "AAAA" and resid 93   and name HA  ))
 OR {  332}
   (( segid "BBBB" and resid 95   and name HB  ))
   (( segid "BBBB" and resid 93   and name HA  ))
 OR {  332}
   (( segid "BBBB" and resid 13   and name HG12))
   (( segid "BBBB" and resid 17   and name HA  ))
 OR {  332}
   (( segid "AAAA" and resid 13   and name HG12))
   (( segid "AAAA" and resid 17   and name HA  ))
 OR {  332}
   (( segid "BBBB" and resid 70   and name HB2 ))
   (( segid "BBBB" and resid 76   and name HA  ))
 OR {  332}
   (( segid "AAAA" and resid 70   and name HB2 ))
   (( segid "AAAA" and resid 76   and name HA  ))
 OR {  332}
   (( segid "AAAA" and resid 13   and name HG12))
   (( segid "AAAA" and resid 11   and name HA  ))
 OR {  332}
   (( segid "BBBB" and resid 13   and name HG12))
   (( segid "BBBB" and resid 11   and name HA  ))
 OR {  332}
   (( segid "BBBB" and resid 13   and name HG12))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {  332}
   (( segid "AAAA" and resid 83   and name HB2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {  332}
   (( segid "BBBB" and resid 83   and name HB2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {  332}
   (( segid "AAAA" and resid 13   and name HG12))
   (( segid "AAAA" and resid 76   and name HA  ))
 OR {  332}
   (( segid "BBBB" and resid 13   and name HG12))
   (( segid "BBBB" and resid 76   and name HA  ))
 OR {  332}
   (( segid "AAAA" and resid 96   and name HB2 ))
   (( segid "AAAA" and resid 93   and name HA  ))
 ASSI {  335}
   (( segid "BBBB" and resid 7    and name HA  ))
   (( segid "BBBB" and resid 7    and name HB  ))
      2.900     1.100     1.100 peak   335 spectrum    1 weight  0.10000E+01 volume  0.20168E-02 ppm1      4.487 ppm2      4.926 CV     1
 OR {  335}
   (( segid "AAAA" and resid 7    and name HA  ))
   (( segid "AAAA" and resid 7    and name HB  ))
 ASSI {  347}
   (( segid "AAAA" and resid 41   and name HG  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      3.200     3.200     2.800 peak   347 spectrum    1 weight  0.10000E+01 volume  0.34855E-02 ppm1      0.994 ppm2      2.527 CV     1
 OR {  347}
   (( segid "BBBB" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 ASSI {  350}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      3.600     1.600     1.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.25765E-02 ppm1      1.194 ppm2      2.527 CV     1
 OR {  350}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 ASSI {  356}
   (( segid "AAAA" and resid 78   and name HB2 ))
   (( segid "AAAA" and resid 77   and name HA  ))
      3.100     3.100     2.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.39645E-02 ppm1      1.979 ppm2      3.750 CV     1
 OR {  356}
   (( segid "BBBB" and resid 78   and name HB2 ))
   (( segid "BBBB" and resid 77   and name HA  ))
 ASSI {  357}
   (( segid "AAAA" and resid 84   and name HA  ))
   (  segid "BBBB" and resid 21   and name HE% )
      3.200     3.200     2.800 peak   357 spectrum    1 weight  0.10000E+01 volume  0.25636E-02 ppm1      3.537 ppm2      7.102 CV     1
 OR {  357}
   (( segid "BBBB" and resid 84   and name HA  ))
   (  segid "AAAA" and resid 21   and name HE% )
 OR {  357}
   (( segid "AAAA" and resid 85   and name HA  ))
   (  segid "AAAA" and resid 21   and name HE% )
 OR {  357}
   (( segid "AAAA" and resid 84   and name HA  ))
   (  segid "AAAA" and resid 21   and name HE% )
 OR {  357}
   (( segid "AAAA" and resid 85   and name HA  ))
   (  segid "AAAA" and resid 20   and name HE% )
 ASSI {  359}
   (( segid "AAAA" and resid 16   and name HB  ))
   (( segid "BBBB" and resid 9    and name HA  ))
      2.700     0.900     0.900 peak   359 spectrum    1 weight  0.10000E+01 volume  0.31807E-02 ppm1      2.635 ppm2      4.183 CV     1
 OR {  359}
   (( segid "BBBB" and resid 16   and name HB  ))
   (( segid "AAAA" and resid 9    and name HA  ))
 ASSI {  361}
   (( segid "AAAA" and resid 26   and name HB2 ))
   (( segid "AAAA" and resid 26   and name HD2 ))
      3.000     1.100     1.100 peak   361 spectrum    1 weight  0.10000E+01 volume  0.26839E-02 ppm1      2.037 ppm2      3.264 CV     1
 OR {  361}
   (( segid "BBBB" and resid 26   and name HB2 ))
   (( segid "BBBB" and resid 26   and name HD2 ))
 OR {  361}
   (( segid "AAAA" and resid 37   and name HB2 ))
   (( segid "AAAA" and resid 26   and name HD2 ))
 OR {  361}
   (( segid "BBBB" and resid 37   and name HB2 ))
   (( segid "BBBB" and resid 26   and name HD2 ))
 ASSI {  365}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 32   and name HN  ))
      4.800     3.000     1.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.29516E-02 ppm1      1.733 ppm2      7.026 CV     1
 OR {  365}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 32   and name HN  ))
 ASSI {  366}
   (( segid "AAAA" and resid 17   and name HB  ))
   (( segid "AAAA" and resid 17   and name HN  ))
      2.800     1.000     1.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.19237E-02 ppm1      2.260 ppm2      8.243 CV     1
 OR {  366}
   (( segid "BBBB" and resid 17   and name HB  ))
   (( segid "BBBB" and resid 17   and name HN  ))
 OR {  366}
   (( segid "BBBB" and resid 72   and name HB2 ))
   (( segid "BBBB" and resid 31   and name HN  ))
 ASSI {  367}
   (( segid "BBBB" and resid 89   and name HG2 ))
   (( segid "BBBB" and resid 90   and name HB2 ))
      3.300     1.400     1.400 peak   367 spectrum    1 weight  0.10000E+01 volume  0.20375E-02 ppm1      0.994 ppm2      2.076 CV     1
 OR {  367}
   (( segid "AAAA" and resid 89   and name HG2 ))
   (( segid "AAAA" and resid 90   and name HB2 ))
 ASSI {  371}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 1    and name HA  ))
      3.400     1.500     1.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.21278E-02 ppm1      1.229 ppm2      4.364 CV     1
 OR {  371}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 1    and name HA  ))
 OR {  371}
   (( segid "BBBB" and resid 62   and name HG1 ))
   (( segid "AAAA" and resid 2    and name HA  ))
 OR {  371}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (( segid "BBBB" and resid 2    and name HA  ))
 ASSI {  383}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 31   and name HA2 ))
      3.100     1.200     1.200 peak   383 spectrum    1 weight  0.10000E+01 volume  0.24388E-02 ppm1      1.709 ppm2      3.855 CV     1
 OR {  383}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 31   and name HA2 ))
 OR {  383}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 31   and name HA1 ))
 OR {  383}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 31   and name HA1 ))
 OR {  383}
   (( segid "BBBB" and resid 93   and name HB2 ))
   (( segid "BBBB" and resid 92   and name HA  ))
 OR {  383}
   (( segid "AAAA" and resid 93   and name HB2 ))
   (( segid "AAAA" and resid 92   and name HA  ))
 OR {  383}
   (( segid "BBBB" and resid 51   and name HD2 ))
   (( segid "BBBB" and resid 53   and name HA  ))
 ASSI {  386}
   (( segid "AAAA" and resid 61   and name HG2 ))
   (( segid "AAAA" and resid 60   and name HA  ))
      3.200     1.300     1.300 peak   386 spectrum    1 weight  0.10000E+01 volume  0.27311E-02 ppm1      1.440 ppm2      3.276 CV     1
 OR {  386}
   (( segid "BBBB" and resid 61   and name HG2 ))
   (( segid "BBBB" and resid 60   and name HA  ))
 OR {  386}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 72   and name HD2 ))
 OR {  386}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 72   and name HD2 ))
 OR {  386}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 56   and name HA  ))
 ASSI {  391}
   (( segid "AAAA" and resid 48   and name HB2 ))
   (( segid "AAAA" and resid 49   and name HA  ))
      3.500     1.500     1.500 peak   391 spectrum    1 weight  0.10000E+01 volume  0.33372E-02 ppm1      3.315 ppm2      4.206 CV     1
 OR {  391}
   (( segid "BBBB" and resid 48   and name HB2 ))
   (( segid "BBBB" and resid 49   and name HA  ))
 OR {  391}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 63   and name HA  ))
 OR {  391}
   (( segid "BBBB" and resid 60   and name HA  ))
   (( segid "BBBB" and resid 63   and name HA  ))
 ASSI {  406}
   (( segid "BBBB" and resid 41   and name HG  ))
   (  segid "BBBB" and resid 20   and name HD% )
      3.400     1.500     1.500 peak   406 spectrum    1 weight  0.10000E+01 volume  0.24444E-02 ppm1      0.994 ppm2      6.582 CV     1
 OR {  406}
   (( segid "AAAA" and resid 41   and name HG  ))
   (  segid "AAAA" and resid 20   and name HD% )
 OR {  406}
   (( segid "AAAA" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 45   and name HE22))
 ASSI {  410}
   (( segid "BBBB" and resid 41   and name HG  ))
   (  segid "BBBB" and resid 23   and name HD% )
      3.300     1.300     1.300 peak   410 spectrum    1 weight  0.10000E+01 volume  0.20252E-02 ppm1      0.994 ppm2      6.868 CV     1
 OR {  410}
   (( segid "AAAA" and resid 41   and name HG  ))
   (  segid "AAAA" and resid 23   and name HD% )
 ASSI {  418}
   (( segid "BBBB" and resid 17   and name HA  ))
   (  segid "BBBB" and resid 76   and name HD% )
      3.700     1.700     1.700 peak   418 spectrum    1 weight  0.10000E+01 volume  0.17941E-02 ppm1      4.135 ppm2      6.880 CV     1
 OR {  418}
   (( segid "AAAA" and resid 17   and name HA  ))
   (  segid "AAAA" and resid 76   and name HD% )
 OR {  418}
   (( segid "AAAA" and resid 17   and name HA  ))
   (( segid "AAAA" and resid 79   and name HN  ))
 OR {  418}
   (( segid "BBBB" and resid 17   and name HA  ))
   (( segid "BBBB" and resid 79   and name HN  ))
 OR {  418}
   (( segid "BBBB" and resid 86   and name HA  ))
   (  segid "AAAA" and resid 76   and name HD% )
 ASSI {  419}
   (( segid "BBBB" and resid 98   and name HG2 ))
   (( segid "BBBB" and resid 95   and name HB  ))
      3.500     1.600     1.600 peak   419 spectrum    1 weight  0.10000E+01 volume  0.58481E-03 ppm1      1.311 ppm2      1.760 CV     1
 OR {  419}
   (( segid "AAAA" and resid 98   and name HG2 ))
   (( segid "AAAA" and resid 95   and name HB  ))
 OR {  419}
   (( segid "AAAA" and resid 97   and name HG2 ))
   (( segid "AAAA" and resid 95   and name HB  ))
 OR {  419}
   (( segid "BBBB" and resid 97   and name HG2 ))
   (( segid "BBBB" and resid 95   and name HB  ))
 ASSI {  427}
   (( segid "AAAA" and resid 47   and name HD1 ))
   (( segid "AAAA" and resid 46   and name HA  ))
      3.600     1.700     1.700 peak   427 spectrum    1 weight  0.10000E+01 volume  0.12479E-02 ppm1      3.209 ppm2      3.463 CV     1
 OR {  427}
   (( segid "BBBB" and resid 47   and name HD1 ))
   (( segid "BBBB" and resid 46   and name HA  ))
 OR {  427}
   (( segid "AAAA" and resid 47   and name HD2 ))
   (( segid "AAAA" and resid 46   and name HA  ))
 OR {  427}
   (( segid "BBBB" and resid 47   and name HD2 ))
   (( segid "BBBB" and resid 46   and name HA  ))
 ASSI {  437}
   (( segid "BBBB" and resid 80   and name HA  ))
   (( segid "BBBB" and resid 77   and name HA  ))
      3.700     1.700     1.700 peak   437 spectrum    1 weight  0.10000E+01 volume  0.17339E-02 ppm1      3.256 ppm2      3.738 CV     1
 OR {  437}
   (( segid "AAAA" and resid 80   and name HA  ))
   (( segid "AAAA" and resid 77   and name HA  ))
 ASSI {  441}
   (( segid "BBBB" and resid 72   and name HA  ))
   (( segid "BBBB" and resid 32   and name HA  ))
      3.900     1.900     1.900 peak   441 spectrum    1 weight  0.10000E+01 volume  0.11043E-02 ppm1      4.909 ppm2      5.160 CV     1
 OR {  441}
   (( segid "AAAA" and resid 72   and name HA  ))
   (( segid "AAAA" and resid 32   and name HA  ))
 ASSI {  442}
   (( segid "BBBB" and resid 51   and name HB2 ))
   (( segid "BBBB" and resid 51   and name HN  ))
      2.700     0.900     0.900 peak   442 spectrum    1 weight  0.10000E+01 volume  0.20868E-02 ppm1      1.791 ppm2      7.102 CV     1
 OR {  442}
   (( segid "AAAA" and resid 51   and name HB2 ))
   (( segid "AAAA" and resid 51   and name HN  ))
 ASSI {  445}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 59   and name HN  ))
      3.600     1.600     1.600 peak   445 spectrum    1 weight  0.10000E+01 volume  0.17772E-02 ppm1      1.205 ppm2      7.933 CV     1
 OR {  445}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 59   and name HN  ))
 OR {  445}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 5    and name HN  ))
 OR {  445}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 5    and name HN  ))
 OR {  445}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 43   and name HN  ))
 OR {  445}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 43   and name HN  ))
 ASSI {  451}
   (( segid "BBBB" and resid 47   and name HD2 ))
   (( segid "BBBB" and resid 44   and name HA  ))
      3.400     1.400     1.400 peak   451 spectrum    1 weight  0.10000E+01 volume  0.91723E-03 ppm1      3.186 ppm2      4.241 CV     1
 OR {  451}
   (( segid "AAAA" and resid 47   and name HD2 ))
   (( segid "AAAA" and resid 44   and name HA  ))
 OR {  451}
   (( segid "AAAA" and resid 47   and name HD1 ))
   (( segid "AAAA" and resid 44   and name HA  ))
 OR {  451}
   (( segid "BBBB" and resid 47   and name HD1 ))
   (( segid "BBBB" and resid 44   and name HA  ))
 ASSI {  454}
   (( segid "BBBB" and resid 31   and name HA1 ))
   (( segid "BBBB" and resid 30   and name HA  ))
      4.100     2.100     1.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.65428E-03 ppm1      3.889 ppm2      4.411 CV     1
 OR {  454}
   (( segid "AAAA" and resid 31   and name HA1 ))
   (( segid "AAAA" and resid 30   and name HA  ))
 OR {  454}
   (( segid "BBBB" and resid 31   and name HA2 ))
   (( segid "BBBB" and resid 30   and name HA  ))
 OR {  454}
   (( segid "AAAA" and resid 31   and name HA2 ))
   (( segid "AAAA" and resid 30   and name HA  ))
 OR {  454}
   (( segid "AAAA" and resid 14   and name HA  ))
   (( segid "AAAA" and resid 15   and name HB  ))
 OR {  454}
   (( segid "BBBB" and resid 14   and name HA  ))
   (( segid "BBBB" and resid 15   and name HB  ))
 ASSI {  457}
   (( segid "BBBB" and resid 78   and name HD2 ))
   (( segid "BBBB" and resid 69   and name HA  ))
      3.800     1.800     1.800 peak   457 spectrum    1 weight  0.10000E+01 volume  0.95123E-03 ppm1      3.162 ppm2      4.329 CV     1
 OR {  457}
   (( segid "AAAA" and resid 78   and name HD2 ))
   (( segid "AAAA" and resid 69   and name HA  ))
 OR {  457}
   (( segid "AAAA" and resid 89   and name HE2 ))
   (( segid "AAAA" and resid 87   and name HA  ))
 ASSI {  459}
   (( segid "BBBB" and resid 23   and name HB2 ))
   (  segid "BBBB" and resid 20   and name HE% )
      3.500     1.500     1.500 peak   459 spectrum    1 weight  0.10000E+01 volume  0.20218E-02 ppm1      2.740 ppm2      7.079 CV     1
 OR {  459}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (  segid "AAAA" and resid 20   and name HE% )
 ASSI {  460}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 13   and name HA  ))
      3.500     1.500     1.500 peak   460 spectrum    1 weight  0.10000E+01 volume  0.10175E-02 ppm1      2.119 ppm2      3.451 CV     1
 OR {  460}
   (( segid "BBBB" and resid 86   and name HB2 ))
   (( segid "AAAA" and resid 13   and name HA  ))
 ASSI {  464}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 14   and name HN  ))
      2.900     1.100     1.100 peak   464 spectrum    1 weight  0.10000E+01 volume  0.16240E-02 ppm1      2.061 ppm2      8.401 CV     1
 OR {  464}
   (( segid "AAAA" and resid 14   and name HB2 ))
   (( segid "AAAA" and resid 14   and name HN  ))
 ASSI {  465}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "AAAA" and resid 7    and name HB  ))
      3.200     1.300     1.300 peak   465 spectrum    1 weight  0.10000E+01 volume  0.17784E-02 ppm1      3.080 ppm2      4.932 CV     1
 OR {  465}
   (( segid "AAAA" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 7    and name HB  ))
 OR {  465}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "BBBB" and resid 7    and name HB  ))
 OR {  465}
   (( segid "BBBB" and resid 85   and name HE2 ))
   (( segid "AAAA" and resid 7    and name HB  ))
 OR {  465}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 34   and name HA  ))
 OR {  465}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 34   and name HA  ))
 ASSI {  469}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 24   and name HN  ))
      3.600     1.600     1.600 peak   469 spectrum    1 weight  0.10000E+01 volume  0.11220E-02 ppm1      7.323 ppm2      8.501 CV     1
 OR {  469}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 24   and name HN  ))
 OR {  469}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 42   and name HN  ))
 OR {  469}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 42   and name HN  ))
 ASSI {  470}
   (( segid "AAAA" and resid 63   and name HG  ))
   (( segid "AAAA" and resid 60   and name HA  ))
      3.400     1.500     1.500 peak   470 spectrum    1 weight  0.10000E+01 volume  0.20390E-02 ppm1      1.205 ppm2      3.328 CV     1
 OR {  470}
   (( segid "BBBB" and resid 63   and name HG  ))
   (( segid "BBBB" and resid 60   and name HA  ))
 OR {  470}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 48   and name HB2 ))
 OR {  470}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 48   and name HB2 ))
 OR {  470}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 56   and name HA  ))
 OR {  470}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 56   and name HA  ))
 ASSI {  472}
   (( segid "BBBB" and resid 70   and name HG2 ))
   (( segid "BBBB" and resid 70   and name HA  ))
      3.300     1.400     1.400 peak   472 spectrum    1 weight  0.10000E+01 volume  0.20919E-02 ppm1      2.084 ppm2      4.961 CV     1
 OR {  472}
   (( segid "AAAA" and resid 70   and name HG2 ))
   (( segid "AAAA" and resid 70   and name HA  ))
 OR {  472}
   (( segid "AAAA" and resid 8    and name HB2 ))
   (( segid "AAAA" and resid 7    and name HB  ))
 ASSI {  473}
   (( segid "AAAA" and resid 46   and name HA  ))
   (( segid "AAAA" and resid 53   and name HA  ))
      3.200     1.300     1.300 peak   473 spectrum    1 weight  0.10000E+01 volume  0.21669E-02 ppm1      3.420 ppm2      3.837 CV     1
 OR {  473}
   (( segid "BBBB" and resid 46   and name HA  ))
   (( segid "BBBB" and resid 53   and name HA  ))
 OR {  473}
   (( segid "AAAA" and resid 46   and name HA  ))
   (( segid "AAAA" and resid 43   and name HA  ))
 OR {  473}
   (( segid "BBBB" and resid 46   and name HA  ))
   (( segid "BBBB" and resid 43   and name HA  ))
 OR {  473}
   (( segid "BBBB" and resid 20   and name HA  ))
   (( segid "BBBB" and resid 21   and name HA  ))
 OR {  473}
   (( segid "AAAA" and resid 20   and name HA  ))
   (( segid "AAAA" and resid 21   and name HA  ))
 OR {  473}
   (( segid "AAAA" and resid 42   and name HA  ))
   (( segid "AAAA" and resid 43   and name HA  ))
 ASSI {  476}
   (( segid "BBBB" and resid 10   and name HA  ))
   (( segid "AAAA" and resid 87   and name HA  ))
      3.800     1.800     1.800 peak   476 spectrum    1 weight  0.10000E+01 volume  0.91240E-03 ppm1      3.701 ppm2      4.300 CV     1
 OR {  476}
   (( segid "AAAA" and resid 10   and name HA  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {  476}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {  476}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 87   and name HA  ))
 OR {  476}
   (( segid "BBBB" and resid 24   and name HA  ))
   (( segid "BBBB" and resid 22   and name HB  ))
 OR {  476}
   (( segid "AAAA" and resid 24   and name HA  ))
   (( segid "AAAA" and resid 22   and name HB  ))
 OR {  476}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 69   and name HA  ))
 OR {  476}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 69   and name HA  ))
 ASSI {  483}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (( segid "AAAA" and resid 65   and name HB  ))
      3.800     1.800     1.800 peak   483 spectrum    1 weight  0.10000E+01 volume  0.15691E-02 ppm1      1.194 ppm2      2.199 CV     1
 OR {  483}
   (( segid "BBBB" and resid 62   and name HG1 ))
   (( segid "BBBB" and resid 65   and name HB  ))
 OR {  483}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 4    and name HG2 ))
 OR {  483}
   (( segid "BBBB" and resid 63   and name HG  ))
   (( segid "BBBB" and resid 60   and name HG2 ))
 ASSI {  484}
   (( segid "BBBB" and resid 51   and name HG2 ))
   (( segid "AAAA" and resid 4    and name HG2 ))
      3.600     1.600     1.600 peak   484 spectrum    1 weight  0.10000E+01 volume  0.13748E-02 ppm1      1.311 ppm2      2.182 CV     1
 OR {  484}
   (( segid "AAAA" and resid 51   and name HG2 ))
   (( segid "BBBB" and resid 4    and name HG2 ))
 OR {  484}
   (( segid "AAAA" and resid 39   and name HG2 ))
   (( segid "AAAA" and resid 40   and name HB2 ))
 OR {  484}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 40   and name HB2 ))
 ASSI {  485}
   (( segid "BBBB" and resid 30   and name HB2 ))
   (( segid "BBBB" and resid 73   and name HB2 ))
      4.000     2.000     2.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.10645E-02 ppm1      1.885 ppm2      3.018 CV     1
 OR {  485}
   (( segid "AAAA" and resid 30   and name HB2 ))
   (( segid "AAAA" and resid 73   and name HB2 ))
 OR {  485}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 77   and name HB2 ))
 ASSI {  491}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 66   and name HB2 ))
      4.300     2.300     1.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.25067E-03 ppm1      3.057 ppm2      3.252 CV     1
 OR {  491}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 66   and name HB2 ))
 ASSI {  493}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 77   and name HA  ))
      3.800     1.800     1.800 peak   493 spectrum    1 weight  0.10000E+01 volume  0.11477E-02 ppm1      0.760 ppm2      3.738 CV     1
 OR {  493}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 77   and name HA  ))
 ASSI {  494}
   (( segid "AAAA" and resid 67   and name HG2 ))
   (( segid "AAAA" and resid 64   and name HB2 ))
      2.800     2.800     3.200 peak   494 spectrum    1 weight  0.10000E+01 volume  0.15331E-02 ppm1      2.283 ppm2      2.895 CV     1
 OR {  494}
   (( segid "BBBB" and resid 67   and name HG2 ))
   (( segid "BBBB" and resid 64   and name HB2 ))
 OR {  494}
   (( segid "BBBB" and resid 58   and name HG2 ))
   (( segid "BBBB" and resid 64   and name HB2 ))
 OR {  494}
   (( segid "AAAA" and resid 58   and name HG2 ))
   (( segid "AAAA" and resid 64   and name HB2 ))
 OR {  494}
   (( segid "AAAA" and resid 8    and name HG2 ))
   (( segid "BBBB" and resid 36   and name HB2 ))
 ASSI {  497}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "AAAA" and resid 59   and name HN  ))
      3.200     1.300     1.300 peak   497 spectrum    1 weight  0.10000E+01 volume  0.11968E-02 ppm1      4.123 ppm2      7.945 CV     1
 OR {  497}
   (( segid "BBBB" and resid 59   and name HA  ))
   (( segid "BBBB" and resid 59   and name HN  ))
 OR {  497}
   (( segid "BBBB" and resid 11   and name HA  ))
   (( segid "BBBB" and resid 12   and name HN  ))
 OR {  497}
   (( segid "AAAA" and resid 11   and name HA  ))
   (( segid "AAAA" and resid 12   and name HN  ))
 OR {  497}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 87   and name HN  ))
 OR {  497}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 87   and name HN  ))
 ASSI {  499}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
      3.500     1.500     1.500 peak   499 spectrum    1 weight  0.10000E+01 volume  0.16629E-02 ppm1      1.580 ppm2      2.533 CV     1
 OR {  499}
   (( segid "AAAA" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 ASSI {  504}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (( segid "AAAA" and resid 26   and name HD2 ))
      3.600     3.600     2.400 peak   504 spectrum    1 weight  0.10000E+01 volume  0.19828E-02 ppm1      2.729 ppm2      3.247 CV     1
 OR {  504}
   (( segid "BBBB" and resid 23   and name HB2 ))
   (( segid "BBBB" and resid 26   and name HD2 ))
 ASSI {  506}
   (( segid "AAAA" and resid 13   and name HB  ))
   (( segid "AAAA" and resid 13   and name HA  ))
      3.400     1.400     1.400 peak   506 spectrum    1 weight  0.10000E+01 volume  0.72666E-03 ppm1      1.967 ppm2      3.457 CV     1
 OR {  506}
   (( segid "BBBB" and resid 13   and name HB  ))
   (( segid "BBBB" and resid 13   and name HA  ))
 OR {  506}
   (( segid "BBBB" and resid 1    and name HB2 ))
   (( segid "AAAA" and resid 42   and name HA  ))
 ASSI {  511}
   (( segid "AAAA" and resid 10   and name HG2 ))
   (( segid "AAAA" and resid 10   and name HA  ))
      3.600     1.600     1.600 peak   511 spectrum    1 weight  0.10000E+01 volume  0.20424E-02 ppm1      2.436 ppm2      3.732 CV     1
 OR {  511}
   (( segid "BBBB" and resid 10   and name HG2 ))
   (( segid "BBBB" and resid 10   and name HA  ))
 ASSI {  512}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 79   and name HN  ))
      3.300     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.14264E-02 ppm1      3.760 ppm2      6.868 CV     1
 OR {  512}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 79   and name HN  ))
 OR {  512}
   (( segid "AAAA" and resid 77   and name HA  ))
   (  segid "AAAA" and resid 76   and name HD% )
 ASSI {  523}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 37   and name HB2 ))
      3.700     3.700     2.300 peak   523 spectrum    1 weight  0.10000E+01 volume  0.12034E-02 ppm1      1.299 ppm2      2.070 CV     1
 OR {  523}
   (( segid "AAAA" and resid 39   and name HG2 ))
   (( segid "AAAA" and resid 37   and name HB2 ))
 ASSI {  524}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 45   and name HE22))
      3.600     3.600     2.400 peak   524 spectrum    1 weight  0.10000E+01 volume  0.10116E-02 ppm1      3.561 ppm2      6.582 CV     1
 OR {  524}
   (( segid "AAAA" and resid 85   and name HA  ))
   (  segid "AAAA" and resid 20   and name HD% )
 OR {  524}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 45   and name HE22))
 OR {  524}
   (( segid "AAAA" and resid 84   and name HA  ))
   (  segid "AAAA" and resid 20   and name HD% )
 OR {  524}
   (( segid "AAAA" and resid 84   and name HA  ))
   (  segid "BBBB" and resid 20   and name HD% )
 ASSI {  530}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "BBBB" and resid 2    and name HA  ))
      3.800     1.800     1.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.11507E-02 ppm1      3.057 ppm2      4.382 CV     1
 OR {  530}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 2    and name HA  ))
 OR {  530}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 2    and name HA  ))
 OR {  530}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "BBBB" and resid 6    and name HA  ))
 OR {  530}
   (( segid "AAAA" and resid 20   and name HB2 ))
   (( segid "AAAA" and resid 15   and name HB  ))
 ASSI {  534}
   (( segid "BBBB" and resid 39   and name HB2 ))
   (( segid "BBBB" and resid 39   and name HN  ))
      2.900     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.18737E-02 ppm1      1.967 ppm2      8.407 CV     1
 OR {  534}
   (( segid "AAAA" and resid 39   and name HB2 ))
   (( segid "AAAA" and resid 39   and name HN  ))
 OR {  534}
   (( segid "AAAA" and resid 13   and name HB  ))
   (( segid "AAAA" and resid 14   and name HN  ))
 OR {  534}
   (( segid "BBBB" and resid 13   and name HB  ))
   (( segid "BBBB" and resid 14   and name HN  ))
 OR {  534}
   (( segid "BBBB" and resid 1    and name HB2 ))
   (( segid "AAAA" and resid 39   and name HN  ))
 ASSI {  536}
   (( segid "AAAA" and resid 71   and name HB2 ))
   (  segid "AAAA" and resid 73   and name HE% )
      3.400     1.500     1.500 peak   536 spectrum    1 weight  0.10000E+01 volume  0.12726E-02 ppm1      2.143 ppm2      7.102 CV     1
 OR {  536}
   (( segid "BBBB" and resid 71   and name HB2 ))
   (  segid "BBBB" and resid 73   and name HE% )
 OR {  536}
   (( segid "AAAA" and resid 71   and name HB2 ))
   (( segid "AAAA" and resid 75   and name HN  ))
 OR {  536}
   (( segid "BBBB" and resid 71   and name HB2 ))
   (( segid "BBBB" and resid 75   and name HN  ))
 ASSI {  537}
   (( segid "AAAA" and resid 59   and name HD2 ))
   (( segid "AAAA" and resid 56   and name HA  ))
      4.500     2.500     1.500 peak   537 spectrum    1 weight  0.10000E+01 volume  0.23576E-03 ppm1      3.115 ppm2      3.311 CV     1
 OR {  537}
   (( segid "BBBB" and resid 59   and name HD2 ))
   (( segid "BBBB" and resid 56   and name HA  ))
 OR {  537}
   (( segid "BBBB" and resid 51   and name HE2 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 ASSI {  544}
   (( segid "AAAA" and resid 29   and name HA  ))
   (( segid "AAAA" and resid 28   and name HA2 ))
      2.800     1.000     1.000 peak   544 spectrum    1 weight  0.10000E+01 volume  0.64765E-02 ppm1      3.901 ppm2      3.785 CV     1
 OR {  544}
   (( segid "BBBB" and resid 29   and name HA  ))
   (( segid "BBBB" and resid 28   and name HA2 ))
 OR {  544}
   (( segid "AAAA" and resid 29   and name HA  ))
   (( segid "AAAA" and resid 28   and name HA1 ))
 OR {  544}
   (( segid "BBBB" and resid 29   and name HA  ))
   (( segid "BBBB" and resid 28   and name HA1 ))
 OR {  544}
   (( segid "BBBB" and resid 40   and name HA  ))
   (( segid "BBBB" and resid 43   and name HA  ))
 OR {  544}
   (( segid "AAAA" and resid 40   and name HA  ))
   (( segid "AAAA" and resid 43   and name HA  ))
 OR {  544}
   (( segid "AAAA" and resid 83   and name HA  ))
   (( segid "AAAA" and resid 82   and name HA  ))
 OR {  544}
   (( segid "BBBB" and resid 83   and name HA  ))
   (( segid "BBBB" and resid 82   and name HA  ))
 OR {  544}
   (( segid "AAAA" and resid 83   and name HA  ))
   (( segid "AAAA" and resid 16   and name HA  ))
 OR {  544}
   (( segid "BBBB" and resid 92   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 OR {  544}
   (( segid "AAAA" and resid 92   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  544}
   (( segid "BBBB" and resid 92   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 OR {  544}
   (( segid "AAAA" and resid 92   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA2 ))
 ASSI {  547}
   (( segid "AAAA" and resid 93   and name HG  ))
   (( segid "AAAA" and resid 98   and name HG2 ))
      2.100     2.100     3.900 peak   547 spectrum    1 weight  0.10000E+01 volume  0.25169E-01 ppm1      1.416 ppm2      1.292 CV     1
 OR {  547}
   (( segid "BBBB" and resid 93   and name HG  ))
   (( segid "BBBB" and resid 98   and name HG2 ))
 OR {  547}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 39   and name HG2 ))
 OR {  547}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
 ASSI {  548}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 40   and name HG2 ))
      2.200     2.200     3.800 peak   548 spectrum    1 weight  0.10000E+01 volume  0.16520E-01 ppm1      2.530 ppm2      2.433 CV     1
 OR {  548}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 44   and name HG2 ))
 ASSI {  550}
   (( segid "BBBB" and resid 98   and name HB2 ))
   (  segid "BBBB" and resid 95   and name HG2%)
      2.100     2.100     3.900 peak   550 spectrum    1 weight  0.10000E+01 volume  0.38656E-01 ppm1      1.697 ppm2      0.830 CV     1
 OR {  550}
   (( segid "AAAA" and resid 96   and name HB2 ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  550}
   (( segid "BBBB" and resid 96   and name HB2 ))
   (  segid "BBBB" and resid 95   and name HG2%)
 OR {  550}
   (( segid "AAAA" and resid 98   and name HB2 ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  550}
   (( segid "AAAA" and resid 97   and name HB2 ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  550}
   (( segid "BBBB" and resid 97   and name HB2 ))
   (  segid "BBBB" and resid 95   and name HG2%)
 OR {  550}
   (( segid "AAAA" and resid 93   and name HB2 ))
   (  segid "AAAA" and resid 95   and name HG2%)
 ASSI {  551}
   (( segid "AAAA" and resid 93   and name HG  ))
   (  segid "AAAA" and resid 95   and name HG2%)
      2.300     2.300     3.700 peak   551 spectrum    1 weight  0.10000E+01 volume  0.21279E-01 ppm1      1.416 ppm2      0.830 CV     1
 OR {  551}
   (( segid "BBBB" and resid 93   and name HG  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  552}
   (( segid "AAAA" and resid 67   and name HG2 ))
   (( segid "AAAA" and resid 67   and name HB2 ))
      2.000     0.500     0.500 peak   552 spectrum    1 weight  0.10000E+01 volume  0.22820E-01 ppm1      2.319 ppm2      2.158 CV     1
 OR {  552}
   (( segid "BBBB" and resid 67   and name HG2 ))
   (( segid "BBBB" and resid 67   and name HB2 ))
 OR {  552}
   (( segid "AAAA" and resid 86   and name HG2 ))
   (( segid "AAAA" and resid 86   and name HB2 ))
 OR {  552}
   (( segid "BBBB" and resid 86   and name HG2 ))
   (( segid "BBBB" and resid 86   and name HB2 ))
 ASSI {  555}
   (( segid "AAAA" and resid 96   and name HG2 ))
   (  segid "AAAA" and resid 95   and name HG2%)
      2.000     2.000     4.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.42566E-01 ppm1      1.533 ppm2      0.842 CV     1
 OR {  555}
   (( segid "BBBB" and resid 96   and name HG2 ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  563}
   (( segid "BBBB" and resid 74   and name HB2 ))
   (  segid "AAAA" and resid 95   and name HG2%)
      2.200     0.600     0.600 peak   563 spectrum    1 weight  0.10000E+01 volume  0.18574E-01 ppm1      3.994 ppm2      0.871 CV     1
 OR {  563}
   (( segid "AAAA" and resid 74   and name HB2 ))
   (  segid "BBBB" and resid 95   and name HG2%)
 OR {  563}
   (( segid "AAAA" and resid 95   and name HA  ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  563}
   (( segid "BBBB" and resid 95   and name HA  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 OR {  563}
   (( segid "BBBB" and resid 74   and name HA  ))
   (  segid "AAAA" and resid 95   and name HG2%)
 ASSI {  564}
   (( segid "BBBB" and resid 5    and name HA  ))
   (  segid "BBBB" and resid 5    and name HG2%)
      2.100     0.500     0.500 peak   564 spectrum    1 weight  0.10000E+01 volume  0.20367E-01 ppm1      4.088 ppm2      1.193 CV     1
 OR {  564}
   (( segid "AAAA" and resid 5    and name HA  ))
   (  segid "AAAA" and resid 5    and name HG2%)
 ASSI {  566}
   (( segid "AAAA" and resid 22   and name HB  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
      2.000     0.500     0.500 peak   566 spectrum    1 weight  0.10000E+01 volume  0.17761E-01 ppm1      4.311 ppm2      0.824 CV     1
 OR {  566}
   (( segid "BBBB" and resid 22   and name HB  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
 ASSI {  568}
   (( segid "BBBB" and resid 59   and name HA  ))
   (( segid "BBBB" and resid 58   and name HA  ))
      2.900     1.000     1.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.33849E-02 ppm1      4.147 ppm2      4.031 CV     1
 OR {  568}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "AAAA" and resid 58   and name HA  ))
 OR {  568}
   (( segid "AAAA" and resid 38   and name HA  ))
   (( segid "AAAA" and resid 37   and name HA  ))
 OR {  568}
   (( segid "BBBB" and resid 38   and name HA  ))
   (( segid "BBBB" and resid 37   and name HA  ))
 OR {  568}
   (( segid "AAAA" and resid 63   and name HA  ))
   (( segid "AAAA" and resid 61   and name HA  ))
 OR {  568}
   (( segid "BBBB" and resid 63   and name HA  ))
   (( segid "BBBB" and resid 61   and name HA  ))
 ASSI {  570}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 84   and name HA  ))
      2.700     2.700     3.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.94227E-02 ppm1      3.725 ppm2      3.551 CV     1
 OR {  570}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  570}
   (( segid "BBBB" and resid 10   and name HA  ))
   (( segid "AAAA" and resid 84   and name HA  ))
 OR {  570}
   (( segid "AAAA" and resid 10   and name HA  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  570}
   (( segid "AAAA" and resid 10   and name HA  ))
   (( segid "BBBB" and resid 85   and name HA  ))
 ASSI {  571}
   (( segid "AAAA" and resid 61   and name HG2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
      2.500     0.800     0.800 peak   571 spectrum    1 weight  0.10000E+01 volume  0.17379E-01 ppm1      1.440 ppm2      1.251 CV     1
 OR {  571}
   (( segid "BBBB" and resid 61   and name HG2 ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 OR {  571}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 ASSI {  572}
   (( segid "AAAA" and resid 40   and name HA  ))
   (( segid "AAAA" and resid 40   and name HB2 ))
      2.100     0.500     0.500 peak   572 spectrum    1 weight  0.10000E+01 volume  0.19315E-01 ppm1      3.901 ppm2      2.252 CV     1
 OR {  572}
   (( segid "BBBB" and resid 40   and name HA  ))
   (( segid "BBBB" and resid 40   and name HB2 ))
 OR {  572}
   (( segid "BBBB" and resid 14   and name HA  ))
   (( segid "BBBB" and resid 17   and name HB  ))
 OR {  572}
   (( segid "AAAA" and resid 14   and name HA  ))
   (( segid "AAAA" and resid 17   and name HB  ))
 OR {  572}
   (( segid "BBBB" and resid 31   and name HA2 ))
   (( segid "BBBB" and resid 72   and name HB2 ))
 ASSI {  580}
   (( segid "AAAA" and resid 22   and name HA  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
      2.500     0.800     0.800 peak   580 spectrum    1 weight  0.10000E+01 volume  0.13476E-01 ppm1      3.830 ppm2      0.830 CV     1
 OR {  580}
   (( segid "BBBB" and resid 22   and name HA  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
 OR {  580}
   (( segid "AAAA" and resid 94   and name HA1 ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  580}
   (( segid "BBBB" and resid 94   and name HA1 ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  583}
   (( segid "BBBB" and resid 62   and name HB  ))
   (( segid "BBBB" and resid 62   and name HG1 ))
      2.000     0.500     0.500 peak   583 spectrum    1 weight  0.10000E+01 volume  0.12868E-01 ppm1      3.983 ppm2      1.263 CV     1
 OR {  583}
   (( segid "AAAA" and resid 62   and name HB  ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 OR {  583}
   (( segid "BBBB" and resid 39   and name HA  ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 OR {  583}
   (( segid "AAAA" and resid 39   and name HA  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
 ASSI {  584}
   (  segid "BBBB" and resid 20   and name HE% )
   (  segid "BBBB" and resid 23   and name HE% )
      2.200     0.600     0.600 peak   584 spectrum    1 weight  0.10000E+01 volume  0.96121E-02 ppm1      7.100 ppm2      7.003 CV     1
 OR {  584}
   (  segid "AAAA" and resid 20   and name HE% )
   (  segid "AAAA" and resid 23   and name HE% )
 OR {  584}
   (  segid "BBBB" and resid 20   and name HE% )
   (  segid "BBBB" and resid 38   and name HD% )
 OR {  584}
   (  segid "AAAA" and resid 20   and name HE% )
   (  segid "AAAA" and resid 38   and name HD% )
 OR {  584}
   (( segid "BBBB" and resid 36   and name HN  ))
   (  segid "BBBB" and resid 23   and name HE% )
 ASSI {  585}
   (( segid "BBBB" and resid 18   and name HA  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
      2.600     2.600     3.400 peak   585 spectrum    1 weight  0.10000E+01 volume  0.11461E-01 ppm1      4.100 ppm2      0.853 CV     1
 OR {  585}
   (( segid "AAAA" and resid 18   and name HA  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 OR {  585}
   (( segid "AAAA" and resid 93   and name HA  ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  585}
   (( segid "BBBB" and resid 93   and name HA  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  586}
   (( segid "BBBB" and resid 8    and name HA  ))
   (( segid "BBBB" and resid 9    and name HG  ))
      2.400     2.400     3.600 peak   586 spectrum    1 weight  0.10000E+01 volume  0.18124E-01 ppm1      4.123 ppm2      1.491 CV     1
 OR {  586}
   (( segid "AAAA" and resid 8    and name HA  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  586}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 6    and name HG  ))
 OR {  586}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 6    and name HG  ))
 OR {  586}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
 OR {  586}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
 OR {  586}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 85   and name HG2 ))
 OR {  586}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  586}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  586}
   (( segid "BBBB" and resid 17   and name HA  ))
   (( segid "BBBB" and resid 79   and name HG  ))
 OR {  586}
   (( segid "AAAA" and resid 17   and name HA  ))
   (( segid "AAAA" and resid 79   and name HG  ))
 ASSI {  590}
   (( segid "AAAA" and resid 56   and name HA  ))
   (( segid "AAAA" and resid 59   and name HG2 ))
      2.900     1.000     1.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.54372E-02 ppm1      3.315 ppm2      1.216 CV     1
 OR {  590}
   (( segid "BBBB" and resid 56   and name HA  ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 OR {  590}
   (( segid "AAAA" and resid 21   and name HB2 ))
   (( segid "AAAA" and resid 19   and name HG1 ))
 OR {  590}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 ASSI {  591}
   (( segid "AAAA" and resid 63   and name HA  ))
   (( segid "AAAA" and resid 63   and name HG  ))
      2.000     0.500     0.500 peak   591 spectrum    1 weight  0.10000E+01 volume  0.11327E-01 ppm1      4.194 ppm2      1.181 CV     1
 OR {  591}
   (( segid "BBBB" and resid 63   and name HA  ))
   (( segid "BBBB" and resid 63   and name HG  ))
 ASSI {  593}
   (( segid "AAAA" and resid 96   and name HA  ))
   (  segid "AAAA" and resid 95   and name HG2%)
      2.600     2.600     3.400 peak   593 spectrum    1 weight  0.10000E+01 volume  0.10223E-01 ppm1      4.217 ppm2      0.830 CV     1
 OR {  593}
   (( segid "BBBB" and resid 96   and name HA  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 OR {  593}
   (( segid "AAAA" and resid 97   and name HA  ))
   (  segid "AAAA" and resid 95   and name HG2%)
 ASSI {  597}
   (  segid "BBBB" and resid 21   and name HE% )
   (  segid "BBBB" and resid 21   and name HD% )
      2.200     0.600     0.600 peak   597 spectrum    1 weight  0.10000E+01 volume  0.76212E-02 ppm1      7.100 ppm2      6.704 CV     1
 OR {  597}
   (  segid "AAAA" and resid 21   and name HE% )
   (  segid "AAAA" and resid 21   and name HD% )
 OR {  597}
   (  segid "AAAA" and resid 21   and name HE% )
   (  segid "AAAA" and resid 76   and name HE% )
 ASSI {  606}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 44   and name HB2 ))
      3.000     1.100     1.100 peak   606 spectrum    1 weight  0.10000E+01 volume  0.48677E-02 ppm1      2.506 ppm2      2.310 CV     1
 OR {  606}
   (( segid "AAAA" and resid 40   and name HG2 ))
   (( segid "AAAA" and resid 44   and name HB2 ))
 OR {  606}
   (( segid "AAAA" and resid 57   and name HB2 ))
   (( segid "AAAA" and resid 58   and name HG2 ))
 OR {  606}
   (( segid "BBBB" and resid 57   and name HB2 ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 OR {  606}
   (( segid "BBBB" and resid 40   and name HG2 ))
   (( segid "BBBB" and resid 44   and name HB2 ))
 OR {  606}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 45   and name HG2 ))
 ASSI {  608}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 41   and name HG  ))
      2.800     1.000     1.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.94027E-02 ppm1      1.369 ppm2      0.988 CV     1
 OR {  608}
   (  segid "BBBB" and resid 7    and name HG2%)
   (( segid "AAAA" and resid 41   and name HG  ))
 ASSI {  611}
   (( segid "BBBB" and resid 78   and name HD2 ))
   (( segid "BBBB" and resid 68   and name HB2 ))
      3.000     1.100     1.100 peak   611 spectrum    1 weight  0.10000E+01 volume  0.23060E-02 ppm1      3.209 ppm2      3.100 CV     1
 OR {  611}
   (( segid "AAAA" and resid 78   and name HD2 ))
   (( segid "AAAA" and resid 68   and name HB2 ))
 ASSI {  612}
   (( segid "AAAA" and resid 1    and name HB2 ))
   (( segid "BBBB" and resid 41   and name HG  ))
      2.600     0.800     0.800 peak   612 spectrum    1 weight  0.10000E+01 volume  0.60133E-02 ppm1      2.002 ppm2      0.982 CV     1
 OR {  612}
   (( segid "BBBB" and resid 1    and name HB2 ))
   (( segid "AAAA" and resid 41   and name HG  ))
 ASSI {  614}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 86   and name HN  ))
      2.500     0.800     0.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.66453E-02 ppm1      7.604 ppm2      7.278 CV     1
 OR {  614}
   (( segid "BBBB" and resid 88   and name HN  ))
   (( segid "BBBB" and resid 86   and name HN  ))
 OR {  614}
   (( segid "BBBB" and resid 77   and name HE3 ))
   (( segid "BBBB" and resid 78   and name HN  ))
 OR {  614}
   (( segid "AAAA" and resid 77   and name HE3 ))
   (( segid "AAAA" and resid 78   and name HN  ))
 OR {  614}
   (( segid "BBBB" and resid 77   and name HE3 ))
   (( segid "BBBB" and resid 77   and name HD1 ))
 ASSI {  615}
   (( segid "BBBB" and resid 43   and name HB  ))
   (( segid "BBBB" and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.43068E-02 ppm1      4.100 ppm2      3.808 CV     1
 OR {  615}
   (( segid "AAAA" and resid 43   and name HB  ))
   (( segid "AAAA" and resid 43   and name HA  ))
 OR {  615}
   (( segid "BBBB" and resid 17   and name HA  ))
   (( segid "BBBB" and resid 21   and name HA  ))
 OR {  615}
   (( segid "AAAA" and resid 17   and name HA  ))
   (( segid "AAAA" and resid 21   and name HA  ))
 OR {  615}
   (( segid "BBBB" and resid 18   and name HA  ))
   (( segid "BBBB" and resid 22   and name HA  ))
 OR {  615}
   (( segid "AAAA" and resid 18   and name HA  ))
   (( segid "AAAA" and resid 22   and name HA  ))
 OR {  615}
   (( segid "AAAA" and resid 76   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 ASSI {  622}
   (( segid "BBBB" and resid 30   and name HB2 ))
   (( segid "AAAA" and resid 97   and name HG2 ))
      2.500     0.800     0.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.69324E-02 ppm1      1.873 ppm2      1.304 CV     1
 OR {  622}
   (( segid "AAAA" and resid 30   and name HB2 ))
   (( segid "BBBB" and resid 97   and name HG2 ))
 ASSI {  624}
   (  segid "BBBB" and resid 20   and name HE% )
   (( segid "BBBB" and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   624 spectrum    1 weight  0.10000E+01 volume  0.84947E-02 ppm1      7.100 ppm2      4.171 CV     1
 OR {  624}
   (  segid "AAAA" and resid 20   and name HE% )
   (( segid "AAAA" and resid 38   and name HA  ))
 ASSI {  625}
   (( segid "AAAA" and resid 69   and name HB2 ))
   (( segid "AAAA" and resid 66   and name HB2 ))
      2.500     0.800     0.800 peak   625 spectrum    1 weight  0.10000E+01 volume  0.63364E-02 ppm1      3.971 ppm2      3.252 CV     1
 OR {  625}
   (( segid "BBBB" and resid 69   and name HB2 ))
   (( segid "BBBB" and resid 66   and name HB2 ))
 OR {  625}
   (( segid "AAAA" and resid 26   and name HA  ))
   (( segid "AAAA" and resid 26   and name HD2 ))
 OR {  625}
   (( segid "BBBB" and resid 26   and name HA  ))
   (( segid "BBBB" and resid 26   and name HD2 ))
 ASSI {  627}
   (( segid "BBBB" and resid 90   and name HB2 ))
   (( segid "BBBB" and resid 89   and name HG2 ))
      2.600     0.800     0.800 peak   627 spectrum    1 weight  0.10000E+01 volume  0.90639E-02 ppm1      2.072 ppm2      1.006 CV     1
 OR {  627}
   (( segid "AAAA" and resid 90   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HG2 ))
 ASSI {  628}
   (( segid "AAAA" and resid 74   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
      2.500     0.800     0.800 peak   628 spectrum    1 weight  0.10000E+01 volume  0.53012E-02 ppm1      4.030 ppm2      3.779 CV     1
 OR {  628}
   (( segid "BBBB" and resid 74   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  628}
   (( segid "AAAA" and resid 74   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 OR {  628}
   (( segid "BBBB" and resid 74   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA2 ))
 OR {  628}
   (( segid "BBBB" and resid 88   and name HA  ))
   (( segid "AAAA" and resid 77   and name HA  ))
 OR {  628}
   (( segid "AAAA" and resid 88   and name HA  ))
   (( segid "BBBB" and resid 77   and name HA  ))
 OR {  628}
   (( segid "BBBB" and resid 90   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 OR {  628}
   (( segid "BBBB" and resid 90   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 OR {  628}
   (( segid "BBBB" and resid 58   and name HA  ))
   (( segid "BBBB" and resid 55   and name HB2 ))
 OR {  628}
   (( segid "AAAA" and resid 58   and name HA  ))
   (( segid "AAAA" and resid 55   and name HB2 ))
 ASSI {  631}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 89   and name HG2 ))
      2.600     2.600     3.400 peak   631 spectrum    1 weight  0.10000E+01 volume  0.74317E-02 ppm1      3.549 ppm2      0.994 CV     1
 OR {  631}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 89   and name HG2 ))
 OR {  631}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 89   and name HG2 ))
 ASSI {  632}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "BBBB" and resid 13   and name HG11))
      2.500     0.800     0.800 peak   632 spectrum    1 weight  0.10000E+01 volume  0.87070E-02 ppm1      4.311 ppm2      1.550 CV     1
 OR {  632}
   (( segid "BBBB" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 13   and name HG11))
 OR {  632}
   (( segid "BBBB" and resid 3    and name HA  ))
   (( segid "AAAA" and resid 85   and name HG2 ))
 OR {  632}
   (( segid "AAAA" and resid 3    and name HA  ))
   (( segid "BBBB" and resid 85   and name HG2 ))
 OR {  632}
   (( segid "BBBB" and resid 69   and name HA  ))
   (( segid "BBBB" and resid 78   and name HG2 ))
 OR {  632}
   (( segid "AAAA" and resid 69   and name HA  ))
   (( segid "AAAA" and resid 78   and name HG2 ))
 ASSI {  636}
   (( segid "AAAA" and resid 98   and name HD2 ))
   (( segid "AAAA" and resid 98   and name HG2 ))
      2.700     0.900     0.900 peak   636 spectrum    1 weight  0.10000E+01 volume  0.53072E-02 ppm1      1.627 ppm2      1.310 CV     1
 OR {  636}
   (( segid "BBBB" and resid 98   and name HD2 ))
   (( segid "BBBB" and resid 98   and name HG2 ))
 ASSI {  638}
   (( segid "BBBB" and resid 1    and name HA  ))
   (( segid "AAAA" and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   638 spectrum    1 weight  0.10000E+01 volume  0.48399E-02 ppm1      4.358 ppm2      4.159 CV     1
 OR {  638}
   (( segid "AAAA" and resid 1    and name HA  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  638}
   (( segid "BBBB" and resid 2    and name HA  ))
   (( segid "AAAA" and resid 59   and name HA  ))
 OR {  638}
   (( segid "AAAA" and resid 2    and name HA  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  638}
   (( segid "AAAA" and resid 12   and name HA  ))
   (( segid "BBBB" and resid 15   and name HA  ))
 OR {  638}
   (( segid "BBBB" and resid 12   and name HA  ))
   (( segid "AAAA" and resid 15   and name HA  ))
 OR {  638}
   (( segid "AAAA" and resid 2    and name HA  ))
   (( segid "BBBB" and resid 62   and name HA  ))
 ASSI {  643}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 38   and name HA  ))
      3.700     1.700     1.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.17833E-02 ppm1      4.299 ppm2      4.165 CV     1
 OR {  643}
   (( segid "BBBB" and resid 41   and name HA  ))
   (( segid "BBBB" and resid 38   and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 19   and name HA  ))
   (( segid "AAAA" and resid 15   and name HA  ))
 OR {  643}
   (( segid "BBBB" and resid 19   and name HA  ))
   (( segid "BBBB" and resid 15   and name HA  ))
 OR {  643}
   (( segid "BBBB" and resid 19   and name HA  ))
   (( segid "AAAA" and resid 8    and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 19   and name HA  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 22   and name HB  ))
   (( segid "AAAA" and resid 25   and name HA1 ))
 OR {  643}
   (( segid "BBBB" and resid 57   and name HA  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 57   and name HA  ))
   (( segid "AAAA" and resid 59   and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 3    and name HA  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  643}
   (( segid "BBBB" and resid 22   and name HB  ))
   (( segid "BBBB" and resid 25   and name HA1 ))
 OR {  643}
   (( segid "BBBB" and resid 19   and name HA  ))
   (( segid "AAAA" and resid 9    and name HA  ))
 ASSI {  644}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 62   and name HB  ))
      2.600     0.800     0.800 peak   644 spectrum    1 weight  0.10000E+01 volume  0.60352E-02 ppm1      7.545 ppm2      3.978 CV     1
 OR {  644}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 74   and name HB2 ))
 OR {  644}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 62   and name HB  ))
 OR {  644}
   (( segid "BBBB" and resid 93   and name HN  ))
   (( segid "BBBB" and resid 90   and name HA  ))
 OR {  644}
   (( segid "AAAA" and resid 93   and name HN  ))
   (( segid "AAAA" and resid 90   and name HA  ))
 OR {  644}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 74   and name HB2 ))
 OR {  644}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 69   and name HB2 ))
 OR {  644}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 69   and name HB2 ))
 OR {  644}
   (( segid "BBBB" and resid 53   and name HN  ))
   (( segid "BBBB" and resid 51   and name HA  ))
 OR {  644}
   (( segid "AAAA" and resid 53   and name HN  ))
   (( segid "AAAA" and resid 51   and name HA  ))
 ASSI {  645}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 51   and name HG2 ))
      2.500     2.500     3.500 peak   645 spectrum    1 weight  0.10000E+01 volume  0.72420E-02 ppm1      7.287 ppm2      1.374 CV     1
 OR {  645}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 51   and name HG2 ))
 OR {  645}
   (( segid "AAAA" and resid 86   and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
 OR {  645}
   (( segid "BBBB" and resid 21   and name HN  ))
   (  segid "AAAA" and resid 7    and name HG2%)
 ASSI {  648}
   (( segid "AAAA" and resid 41   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
      3.600     1.600     1.600 peak   648 spectrum    1 weight  0.10000E+01 volume  0.60013E-02 ppm1      1.604 ppm2      1.222 CV     1
 OR {  648}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 ASSI {  653}
   (( segid "BBBB" and resid 98   and name HB2 ))
   (( segid "BBBB" and resid 98   and name HG2 ))
      2.700     0.900     0.900 peak   653 spectrum    1 weight  0.10000E+01 volume  0.40848E-02 ppm1      1.697 ppm2      1.310 CV     1
 OR {  653}
   (( segid "AAAA" and resid 98   and name HB2 ))
   (( segid "AAAA" and resid 98   and name HG2 ))
 OR {  653}
   (( segid "BBBB" and resid 97   and name HB2 ))
   (( segid "BBBB" and resid 97   and name HG2 ))
 OR {  653}
   (( segid "AAAA" and resid 97   and name HB2 ))
   (( segid "AAAA" and resid 97   and name HG2 ))
 OR {  653}
   (( segid "BBBB" and resid 39   and name HD2 ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 ASSI {  654}
   (( segid "AAAA" and resid 4    and name HB2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
      2.500     2.500     3.500 peak   654 spectrum    1 weight  0.10000E+01 volume  0.54514E-02 ppm1      1.779 ppm2      1.234 CV     1
 OR {  654}
   (( segid "BBBB" and resid 4    and name HB2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR {  654}
   (( segid "AAAA" and resid 4    and name HB2 ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 OR {  654}
   (( segid "AAAA" and resid 13   and name HG12))
   (( segid "AAAA" and resid 19   and name HG1 ))
 ASSI {  656}
   (( segid "BBBB" and resid 41   and name HA  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
      2.800     2.800     3.200 peak   656 spectrum    1 weight  0.10000E+01 volume  0.32995E-02 ppm1      4.299 ppm2      1.111 CV     1
 OR {  656}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 ASSI {  661}
   (( segid "BBBB" and resid 83   and name HA  ))
   (( segid "BBBB" and resid 83   and name HG  ))
      2.300     0.700     0.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.65161E-02 ppm1      3.948 ppm2      1.485 CV     1
 OR {  661}
   (( segid "AAAA" and resid 83   and name HA  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 OR {  661}
   (( segid "AAAA" and resid 79   and name HA  ))
   (( segid "AAAA" and resid 79   and name HG  ))
 OR {  661}
   (( segid "BBBB" and resid 79   and name HA  ))
   (( segid "BBBB" and resid 79   and name HG  ))
 OR {  661}
   (( segid "AAAA" and resid 83   and name HA  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  661}
   (( segid "BBBB" and resid 83   and name HA  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 ASSI {  664}
   (( segid "BBBB" and resid 11   and name HA  ))
   (( segid "BBBB" and resid 14   and name HG2 ))
      2.900     1.000     1.000 peak   664 spectrum    1 weight  0.10000E+01 volume  0.41232E-02 ppm1      4.123 ppm2      2.439 CV     1
 OR {  664}
   (( segid "AAAA" and resid 11   and name HA  ))
   (( segid "AAAA" and resid 14   and name HG2 ))
 OR {  664}
   (( segid "AAAA" and resid 8    and name HA  ))
   (( segid "AAAA" and resid 10   and name HG2 ))
 OR {  664}
   (( segid "BBBB" and resid 8    and name HA  ))
   (( segid "BBBB" and resid 10   and name HG2 ))
 OR {  664}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 10   and name HG2 ))
 OR {  664}
   (( segid "AAAA" and resid 11   and name HA  ))
   (( segid "AAAA" and resid 10   and name HG2 ))
 ASSI {  678}
   (  segid "BBBB" and resid 20   and name HE% )
   (  segid "BBBB" and resid 23   and name HD% )
      2.600     0.900     0.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.38269E-02 ppm1      7.077 ppm2      6.857 CV     1
 OR {  678}
   (  segid "AAAA" and resid 20   and name HE% )
   (  segid "AAAA" and resid 23   and name HD% )
 OR {  678}
   (  segid "AAAA" and resid 21   and name HE% )
   (  segid "AAAA" and resid 76   and name HD% )
 OR {  678}
   (  segid "BBBB" and resid 21   and name HE% )
   (  segid "BBBB" and resid 76   and name HD% )
 ASSI {  686}
   (( segid "AAAA" and resid 57   and name HA  ))
   (( segid "AAAA" and resid 60   and name HG2 ))
      3.000     1.100     1.100 peak   686 spectrum    1 weight  0.10000E+01 volume  0.47052E-02 ppm1      4.264 ppm2      2.205 CV     1
 OR {  686}
   (( segid "BBBB" and resid 57   and name HA  ))
   (( segid "BBBB" and resid 60   and name HG2 ))
 ASSI {  689}
   (( segid "AAAA" and resid 38   and name HA  ))
   (( segid "AAAA" and resid 41   and name HG  ))
      2.000     0.500     0.500 peak   689 spectrum    1 weight  0.10000E+01 volume  0.65570E-02 ppm1      4.182 ppm2      0.994 CV     1
 OR {  689}
   (( segid "BBBB" and resid 38   and name HA  ))
   (( segid "BBBB" and resid 41   and name HG  ))
 ASSI {  690}
   (( segid "AAAA" and resid 61   and name HD2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
      3.400     1.400     1.400 peak   690 spectrum    1 weight  0.10000E+01 volume  0.33334E-02 ppm1      1.674 ppm2      1.216 CV     1
 OR {  690}
   (( segid "BBBB" and resid 61   and name HD2 ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 OR {  690}
   (( segid "AAAA" and resid 63   and name HB2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 OR {  690}
   (( segid "AAAA" and resid 9    and name HB2 ))
   (( segid "BBBB" and resid 19   and name HG1 ))
 OR {  690}
   (( segid "BBBB" and resid 9    and name HB2 ))
   (( segid "AAAA" and resid 19   and name HG1 ))
 ASSI {  700}
   (( segid "BBBB" and resid 57   and name HA  ))
   (( segid "BBBB" and resid 57   and name HB2 ))
      2.600     0.900     0.900 peak   700 spectrum    1 weight  0.10000E+01 volume  0.60114E-02 ppm1      4.299 ppm2      2.509 CV     1
 OR {  700}
   (( segid "AAAA" and resid 57   and name HA  ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 ASSI {  701}
   (( segid "AAAA" and resid 58   and name HA  ))
   (( segid "AAAA" and resid 54   and name HA2 ))
      3.300     3.300     2.700 peak   701 spectrum    1 weight  0.10000E+01 volume  0.23202E-02 ppm1      4.030 ppm2      3.697 CV     1
 OR {  701}
   (( segid "BBBB" and resid 58   and name HA  ))
   (( segid "BBBB" and resid 54   and name HA2 ))
 OR {  701}
   (( segid "AAAA" and resid 90   and name HA  ))
   (( segid "BBBB" and resid 10   and name HA  ))
 OR {  701}
   (( segid "BBBB" and resid 74   and name HA  ))
   (( segid "BBBB" and resid 32   and name HB2 ))
 OR {  701}
   (( segid "AAAA" and resid 74   and name HA  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
 OR {  701}
   (( segid "AAAA" and resid 95   and name HA  ))
   (( segid "BBBB" and resid 32   and name HB2 ))
 ASSI {  706}
   (( segid "BBBB" and resid 77   and name HD1 ))
   (( segid "BBBB" and resid 78   and name HA  ))
      2.600     0.900     0.900 peak   706 spectrum    1 weight  0.10000E+01 volume  0.37878E-02 ppm1      7.241 ppm2      3.990 CV     1
 OR {  706}
   (( segid "AAAA" and resid 77   and name HD1 ))
   (( segid "AAAA" and resid 78   and name HA  ))
 OR {  706}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 78   and name HA  ))
 OR {  706}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 78   and name HA  ))
 ASSI {  707}
   (( segid "AAAA" and resid 73   and name HB2 ))
   (( segid "BBBB" and resid 97   and name HG2 ))
      2.900     1.000     1.000 peak   707 spectrum    1 weight  0.10000E+01 volume  0.44072E-02 ppm1      3.010 ppm2      1.333 CV     1
 OR {  707}
   (( segid "BBBB" and resid 73   and name HB2 ))
   (( segid "AAAA" and resid 97   and name HG2 ))
 ASSI {  717}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "AAAA" and resid 50   and name HG  ))
      2.700     2.700     3.300 peak   717 spectrum    1 weight  0.10000E+01 volume  0.43605E-02 ppm1      2.752 ppm2      1.468 CV     1
 OR {  717}
   (( segid "BBBB" and resid 52   and name HB2 ))
   (( segid "BBBB" and resid 46   and name HG  ))
 OR {  717}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "AAAA" and resid 46   and name HG  ))
 OR {  717}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "BBBB" and resid 6    and name HG  ))
 OR {  717}
   (( segid "BBBB" and resid 52   and name HB2 ))
   (( segid "BBBB" and resid 50   and name HG  ))
 ASSI {  719}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 19   and name HG1 ))
      2.900     1.100     1.100 peak   719 spectrum    1 weight  0.10000E+01 volume  0.41264E-02 ppm1      8.635 ppm2      1.257 CV     1
 OR {  719}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 19   and name HG1 ))
 OR {  719}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 19   and name HG1 ))
 ASSI {  720}
   (( segid "BBBB" and resid 30   and name HB2 ))
   (( segid "AAAA" and resid 97   and name HD2 ))
      3.100     1.200     1.200 peak   720 spectrum    1 weight  0.10000E+01 volume  0.26678E-02 ppm1      1.873 ppm2      1.585 CV     1
 OR {  720}
   (( segid "AAAA" and resid 30   and name HB2 ))
   (( segid "BBBB" and resid 97   and name HD2 ))
 ASSI {  724}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 59   and name HG2 ))
      3.700     1.700     1.700 peak   724 spectrum    1 weight  0.10000E+01 volume  0.26387E-02 ppm1      8.518 ppm2      1.193 CV     1
 OR {  724}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 ASSI {  730}
   (( segid "BBBB" and resid 94   and name HA1 ))
   (( segid "AAAA" and resid 76   and name HB2 ))
      2.500     0.800     0.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.58354E-02 ppm1      3.807 ppm2      2.855 CV     1
 OR {  730}
   (( segid "AAAA" and resid 94   and name HA1 ))
   (( segid "BBBB" and resid 76   and name HB2 ))
 OR {  730}
   (( segid "AAAA" and resid 94   and name HA2 ))
   (( segid "BBBB" and resid 76   and name HB2 ))
 ASSI {  732}
   (( segid "AAAA" and resid 75   and name HA  ))
   (( segid "AAAA" and resid 74   and name HA  ))
      3.500     1.500     1.500 peak   732 spectrum    1 weight  0.10000E+01 volume  0.14332E-02 ppm1      4.369 ppm2      4.036 CV     1
 OR {  732}
   (( segid "BBBB" and resid 75   and name HA  ))
   (( segid "BBBB" and resid 74   and name HA  ))
 OR {  732}
   (( segid "AAAA" and resid 6    and name HA  ))
   (( segid "BBBB" and resid 89   and name HA  ))
 OR {  732}
   (( segid "AAAA" and resid 2    and name HA  ))
   (( segid "BBBB" and resid 58   and name HA  ))
 OR {  732}
   (( segid "BBBB" and resid 2    and name HA  ))
   (( segid "AAAA" and resid 58   and name HA  ))
 OR {  732}
   (( segid "BBBB" and resid 1    and name HA  ))
   (( segid "AAAA" and resid 43   and name HB  ))
 OR {  732}
   (( segid "AAAA" and resid 1    and name HA  ))
   (( segid "BBBB" and resid 43   and name HB  ))
 OR {  732}
   (( segid "AAAA" and resid 1    and name HA  ))
   (( segid "BBBB" and resid 58   and name HA  ))
 OR {  732}
   (( segid "BBBB" and resid 1    and name HA  ))
   (( segid "AAAA" and resid 58   and name HA  ))
 OR {  732}
   (( segid "AAAA" and resid 75   and name HA  ))
   (( segid "BBBB" and resid 95   and name HA  ))
 ASSI {  733}
   (( segid "AAAA" and resid 48   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HG2 ))
      3.200     3.200     2.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.34954E-02 ppm1      3.315 ppm2      1.011 CV     1
 OR {  733}
   (( segid "BBBB" and resid 48   and name HB2 ))
   (( segid "BBBB" and resid 89   and name HG2 ))
 OR {  733}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 41   and name HG  ))
 OR {  733}
   (( segid "BBBB" and resid 21   and name HB2 ))
   (( segid "BBBB" and resid 41   and name HG  ))
 OR {  733}
   (( segid "AAAA" and resid 21   and name HB2 ))
   (( segid "AAAA" and resid 41   and name HG  ))
 ASSI {  735}
   (( segid "AAAA" and resid 77   and name HE3 ))
   (( segid "AAAA" and resid 75   and name HA  ))
      2.800     1.000     1.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.27641E-02 ppm1      7.604 ppm2      4.376 CV     1
 OR {  735}
   (( segid "BBBB" and resid 77   and name HE3 ))
   (( segid "BBBB" and resid 75   and name HA  ))
 OR {  735}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "BBBB" and resid 6    and name HA  ))
 ASSI {  738}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "BBBB" and resid 10   and name HA  ))
      3.200     1.300     1.300 peak   738 spectrum    1 weight  0.10000E+01 volume  0.21643E-02 ppm1      4.299 ppm2      3.697 CV     1
 OR {  738}
   (( segid "AAAA" and resid 22   and name HB  ))
   (( segid "AAAA" and resid 24   and name HA  ))
 OR {  738}
   (( segid "BBBB" and resid 22   and name HB  ))
   (( segid "BBBB" and resid 24   and name HA  ))
 OR {  738}
   (( segid "BBBB" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 10   and name HA  ))
 OR {  738}
   (( segid "BBBB" and resid 69   and name HA  ))
   (( segid "BBBB" and resid 32   and name HB2 ))
 OR {  738}
   (( segid "AAAA" and resid 69   and name HA  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
 OR {  738}
   (( segid "AAAA" and resid 3    and name HA  ))
   (( segid "BBBB" and resid 54   and name HA2 ))
 OR {  738}
   (( segid "BBBB" and resid 3    and name HA  ))
   (( segid "AAAA" and resid 54   and name HA2 ))
 ASSI {  739}
   (( segid "AAAA" and resid 37   and name HB2 ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      3.100     3.100     2.900 peak   739 spectrum    1 weight  0.10000E+01 volume  0.41927E-02 ppm1      2.072 ppm2      1.292 CV     1
 OR {  739}
   (( segid "BBBB" and resid 37   and name HB2 ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 OR {  739}
   (( segid "BBBB" and resid 26   and name HB2 ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 ASSI {  740}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 13   and name HB  ))
      3.500     3.500     2.500 peak   740 spectrum    1 weight  0.10000E+01 volume  0.75525E-03 ppm1      2.096 ppm2      1.977 CV     1
 OR {  740}
   (( segid "BBBB" and resid 86   and name HB2 ))
   (( segid "AAAA" and resid 13   and name HB  ))
 OR {  740}
   (( segid "AAAA" and resid 70   and name HG2 ))
   (( segid "AAAA" and resid 33   and name HB2 ))
 OR {  740}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 10   and name HB2 ))
 OR {  740}
   (( segid "BBBB" and resid 70   and name HG2 ))
   (( segid "BBBB" and resid 33   and name HB2 ))
 ASSI {  746}
   (( segid "AAAA" and resid 7    and name HA  ))
   (( segid "AAAA" and resid 9    and name HG  ))
      3.500     1.600     1.600 peak   746 spectrum    1 weight  0.10000E+01 volume  0.23993E-02 ppm1      4.487 ppm2      1.433 CV     1
 OR {  746}
   (( segid "BBBB" and resid 7    and name HA  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  746}
   (( segid "AAAA" and resid 48   and name HA  ))
   (( segid "AAAA" and resid 49   and name HG  ))
 ASSI {  749}
   (( segid "AAAA" and resid 24   and name HA  ))
   (( segid "AAAA" and resid 34   and name HB2 ))
      3.400     1.500     1.500 peak   749 spectrum    1 weight  0.10000E+01 volume  0.11086E-02 ppm1      3.666 ppm2      3.416 CV     1
 OR {  749}
   (( segid "BBBB" and resid 24   and name HA  ))
   (( segid "BBBB" and resid 34   and name HB2 ))
 ASSI {  750}
   (( segid "BBBB" and resid 44   and name HN  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
      2.800     1.000     1.000 peak   750 spectrum    1 weight  0.10000E+01 volume  0.30160E-02 ppm1      8.471 ppm2      1.140 CV     1
 OR {  750}
   (( segid "AAAA" and resid 44   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 OR {  750}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
 ASSI {  751}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 63   and name HG  ))
      3.300     3.300     2.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.22960E-02 ppm1      8.565 ppm2      1.158 CV     1
 OR {  751}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 63   and name HG  ))
 OR {  751}
   (( segid "AAAA" and resid 54   and name HN  ))
   (  segid "BBBB" and resid 5    and name HG2%)
 OR {  751}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 ASSI {  752}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 86   and name HB2 ))
      2.700     0.900     0.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.41009E-02 ppm1      4.088 ppm2      2.135 CV     1
 OR {  752}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 86   and name HB2 ))
 ASSI {  754}
   (( segid "BBBB" and resid 85   and name HE2 ))
   (( segid "BBBB" and resid 85   and name HB2 ))
      2.600     0.800     0.800 peak   754 spectrum    1 weight  0.10000E+01 volume  0.30087E-02 ppm1      3.022 ppm2      1.714 CV     1
 OR {  754}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "AAAA" and resid 85   and name HB2 ))
 ASSI {  755}
   (( segid "BBBB" and resid 25   and name HA1 ))
   (( segid "BBBB" and resid 25   and name HA2 ))
      2.900     2.900     3.100 peak   755 spectrum    1 weight  0.10000E+01 volume  0.10584E-02 ppm1      4.158 ppm2      3.890 CV     1
 OR {  755}
   (( segid "AAAA" and resid 25   and name HA1 ))
   (( segid "AAAA" and resid 25   and name HA2 ))
 ASSI {  769}
   (( segid "BBBB" and resid 1    and name HB2 ))
   (( segid "AAAA" and resid 43   and name HG1 ))
      3.500     1.600     1.600 peak   769 spectrum    1 weight  0.10000E+01 volume  0.14958E-02 ppm1      2.002 ppm2      1.099 CV     1
 OR {  769}
   (( segid "AAAA" and resid 1    and name HB2 ))
   (( segid "BBBB" and resid 43   and name HG1 ))
 ASSI {  771}
   (( segid "BBBB" and resid 43   and name HA  ))
   (( segid "BBBB" and resid 44   and name HB2 ))
      3.300     1.400     1.400 peak   771 spectrum    1 weight  0.10000E+01 volume  0.27534E-02 ppm1      3.819 ppm2      2.345 CV     1
 OR {  771}
   (( segid "AAAA" and resid 43   and name HA  ))
   (( segid "AAAA" and resid 44   and name HB2 ))
 OR {  771}
   (( segid "AAAA" and resid 82   and name HA  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 OR {  771}
   (( segid "BBBB" and resid 82   and name HA  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 OR {  771}
   (( segid "BBBB" and resid 16   and name HA  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 OR {  771}
   (( segid "AAAA" and resid 16   and name HA  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 ASSI {  773}
   (  segid "AAAA" and resid 38   and name HD% )
   (( segid "AAAA" and resid 43   and name HG1 ))
      3.500     3.500     2.500 peak   773 spectrum    1 weight  0.10000E+01 volume  0.32945E-02 ppm1      7.018 ppm2      1.111 CV     1
 OR {  773}
   (  segid "BBBB" and resid 38   and name HD% )
   (( segid "BBBB" and resid 43   and name HG1 ))
 ASSI {  774}
   (( segid "BBBB" and resid 36   and name HN  ))
   (( segid "BBBB" and resid 39   and name HG2 ))
      5.100     3.200     1.200 peak   774 spectrum    1 weight  0.10000E+01 volume  0.35992E-02 ppm1      7.100 ppm2      1.286 CV     1
 OR {  774}
   (( segid "AAAA" and resid 36   and name HN  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
 ASSI {  776}
   (( segid "BBBB" and resid 75   and name HB2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
      2.500     0.800     0.800 peak   776 spectrum    1 weight  0.10000E+01 volume  0.45908E-02 ppm1      2.307 ppm2      1.474 CV     1
 OR {  776}
   (( segid "AAAA" and resid 75   and name HB2 ))
   (( segid "AAAA" and resid 71   and name HG  ))
 ASSI {  779}
   (( segid "AAAA" and resid 56   and name HA  ))
   (( segid "AAAA" and resid 59   and name HD2 ))
      2.800     1.000     1.000 peak   779 spectrum    1 weight  0.10000E+01 volume  0.43279E-02 ppm1      3.338 ppm2      3.089 CV     1
 OR {  779}
   (( segid "BBBB" and resid 56   and name HA  ))
   (( segid "BBBB" and resid 59   and name HD2 ))
 OR {  779}
   (( segid "BBBB" and resid 48   and name HB2 ))
   (( segid "BBBB" and resid 51   and name HE2 ))
 OR {  779}
   (( segid "AAAA" and resid 48   and name HB2 ))
   (( segid "AAAA" and resid 51   and name HE2 ))
 ASSI {  781}
   (( segid "AAAA" and resid 43   and name HA  ))
   (( segid "AAAA" and resid 46   and name HG  ))
      2.700     0.900     0.900 peak   781 spectrum    1 weight  0.10000E+01 volume  0.36700E-02 ppm1      3.819 ppm2      1.439 CV     1
 OR {  781}
   (( segid "BBBB" and resid 43   and name HA  ))
   (( segid "BBBB" and resid 46   and name HG  ))
 OR {  781}
   (( segid "AAAA" and resid 16   and name HA  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 OR {  781}
   (( segid "BBBB" and resid 16   and name HA  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 OR {  781}
   (( segid "BBBB" and resid 53   and name HA  ))
   (( segid "BBBB" and resid 46   and name HG  ))
 OR {  781}
   (( segid "AAAA" and resid 53   and name HA  ))
   (( segid "AAAA" and resid 46   and name HG  ))
 OR {  781}
   (( segid "AAAA" and resid 81   and name HA1 ))
   (( segid "AAAA" and resid 80   and name HB  ))
 ASSI {  785}
   (( segid "BBBB" and resid 8    and name HB2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
      2.900     1.100     1.100 peak   785 spectrum    1 weight  0.10000E+01 volume  0.43415E-02 ppm1      2.061 ppm2      1.497 CV     1
 OR {  785}
   (( segid "AAAA" and resid 8    and name HB2 ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  785}
   (( segid "AAAA" and resid 82   and name HB2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  785}
   (( segid "BBBB" and resid 82   and name HB2 ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  785}
   (( segid "AAAA" and resid 82   and name HB2 ))
   (( segid "AAAA" and resid 79   and name HG  ))
 OR {  785}
   (( segid "BBBB" and resid 82   and name HB2 ))
   (( segid "BBBB" and resid 85   and name HG2 ))
 OR {  785}
   (( segid "AAAA" and resid 82   and name HB2 ))
   (( segid "AAAA" and resid 85   and name HG2 ))
 OR {  785}
   (( segid "AAAA" and resid 90   and name HB2 ))
   (( segid "AAAA" and resid 88   and name HB2 ))
 ASSI {  792}
   (  segid "AAAA" and resid 21   and name HE% )
   (( segid "BBBB" and resid 9    and name HG  ))
      2.800     1.000     1.000 peak   792 spectrum    1 weight  0.10000E+01 volume  0.39216E-02 ppm1      7.077 ppm2      1.439 CV     1
 OR {  792}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  792}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  792}
   (  segid "BBBB" and resid 21   and name HE% )
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  792}
   (  segid "BBBB" and resid 73   and name HE% )
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  792}
   (  segid "AAAA" and resid 73   and name HE% )
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  792}
   (  segid "AAAA" and resid 21   and name HE% )
   (( segid "AAAA" and resid 83   and name HG  ))
 ASSI {  795}
   (( segid "BBBB" and resid 58   and name HG2 ))
   (( segid "BBBB" and resid 62   and name HG1 ))
      3.100     1.200     1.200 peak   795 spectrum    1 weight  0.10000E+01 volume  0.29120E-02 ppm1      2.307 ppm2      1.216 CV     1
 OR {  795}
   (( segid "AAAA" and resid 58   and name HG2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 OR {  795}
   (( segid "BBBB" and resid 58   and name HG2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 OR {  795}
   (( segid "AAAA" and resid 58   and name HG2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 ASSI {  796}
   (  segid "BBBB" and resid 20   and name HE% )
   (( segid "BBBB" and resid 41   and name HG  ))
      2.800     1.000     1.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.23981E-02 ppm1      7.100 ppm2      0.988 CV     1
 OR {  796}
   (  segid "AAAA" and resid 20   and name HE% )
   (( segid "AAAA" and resid 41   and name HG  ))
 ASSI {  802}
   (( segid "AAAA" and resid 39   and name HA  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      2.700     0.900     0.900 peak   802 spectrum    1 weight  0.10000E+01 volume  0.17026E-02 ppm1      3.971 ppm2      2.515 CV     1
 OR {  802}
   (( segid "BBBB" and resid 39   and name HA  ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 OR {  802}
   (( segid "AAAA" and resid 40   and name HA  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 OR {  802}
   (( segid "BBBB" and resid 40   and name HA  ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 ASSI {  809}
   (( segid "BBBB" and resid 22   and name HB  ))
   (( segid "BBBB" and resid 22   and name HA  ))
      3.300     1.300     1.300 peak   809 spectrum    1 weight  0.10000E+01 volume  0.12082E-02 ppm1      4.311 ppm2      3.820 CV     1
 OR {  809}
   (( segid "AAAA" and resid 22   and name HB  ))
   (( segid "AAAA" and resid 22   and name HA  ))
 ASSI {  810}
   (( segid "BBBB" and resid 98   and name HE2 ))
   (( segid "BBBB" and resid 98   and name HD2 ))
      3.200     1.300     1.300 peak   810 spectrum    1 weight  0.10000E+01 volume  0.20725E-02 ppm1      3.162 ppm2      1.602 CV     1
 OR {  810}
   (( segid "AAAA" and resid 98   and name HE2 ))
   (( segid "AAAA" and resid 98   and name HD2 ))
 OR {  810}
   (( segid "BBBB" and resid 97   and name HE2 ))
   (( segid "BBBB" and resid 97   and name HD2 ))
 OR {  810}
   (( segid "AAAA" and resid 97   and name HE2 ))
   (( segid "AAAA" and resid 97   and name HD2 ))
 ASSI {  813}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 69   and name HA  ))
      2.900     1.000     1.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.24008E-02 ppm1      7.545 ppm2      4.311 CV     1
 OR {  813}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 69   and name HA  ))
 OR {  813}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 87   and name HA  ))
 OR {  813}
   (( segid "BBBB" and resid 88   and name HN  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 ASSI {  818}
   (( segid "AAAA" and resid 93   and name HA  ))
   (( segid "AAAA" and resid 93   and name HG  ))
      2.700     0.900     0.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.34155E-02 ppm1      4.053 ppm2      1.427 CV     1
 OR {  818}
   (( segid "BBBB" and resid 93   and name HA  ))
   (( segid "BBBB" and resid 93   and name HG  ))
 OR {  818}
   (( segid "BBBB" and resid 61   and name HA  ))
   (( segid "BBBB" and resid 61   and name HG2 ))
 ASSI {  822}
   (( segid "AAAA" and resid 88   and name HA  ))
   (( segid "AAAA" and resid 88   and name HG2 ))
      2.800     1.000     1.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.30604E-02 ppm1      3.994 ppm2      1.585 CV     1
 OR {  822}
   (( segid "BBBB" and resid 88   and name HA  ))
   (( segid "BBBB" and resid 88   and name HG2 ))
 OR {  822}
   (( segid "BBBB" and resid 39   and name HA  ))
   (( segid "BBBB" and resid 41   and name HB2 ))
 OR {  822}
   (( segid "AAAA" and resid 39   and name HA  ))
   (( segid "AAAA" and resid 41   and name HB2 ))
 ASSI {  825}
   (  segid "AAAA" and resid 38   and name HD% )
   (( segid "AAAA" and resid 41   and name HG  ))
      2.800     1.000     1.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.31912E-02 ppm1      7.018 ppm2      1.000 CV     1
 OR {  825}
   (  segid "BBBB" and resid 38   and name HD% )
   (( segid "BBBB" and resid 41   and name HG  ))
 OR {  825}
   (  segid "BBBB" and resid 23   and name HE% )
   (( segid "BBBB" and resid 41   and name HG  ))
 ASSI {  828}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 79   and name HG  ))
      3.100     1.200     1.200 peak   828 spectrum    1 weight  0.10000E+01 volume  0.32146E-02 ppm1      9.268 ppm2      1.497 CV     1
 OR {  828}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 79   and name HG  ))
 OR {  828}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  828}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  828}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 ASSI {  830}
   (( segid "AAAA" and resid 17   and name HN  ))
   (( segid "AAAA" and resid 17   and name HB  ))
      2.600     0.900     0.900 peak   830 spectrum    1 weight  0.10000E+01 volume  0.33060E-02 ppm1      8.237 ppm2      2.264 CV     1
 OR {  830}
   (( segid "BBBB" and resid 17   and name HN  ))
   (( segid "BBBB" and resid 17   and name HB  ))
 OR {  830}
   (( segid "BBBB" and resid 31   and name HN  ))
   (( segid "BBBB" and resid 72   and name HB2 ))
 ASSI {  837}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 80   and name HB  ))
      3.400     1.500     1.500 peak   837 spectrum    1 weight  0.10000E+01 volume  0.15423E-02 ppm1      1.932 ppm2      1.439 CV     1
 OR {  837}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 80   and name HB  ))
 OR {  837}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
 OR {  837}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
 OR {  837}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 OR {  837}
   (( segid "BBBB" and resid 78   and name HB2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  837}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 OR {  837}
   (( segid "AAAA" and resid 78   and name HB2 ))
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  837}
   (( segid "AAAA" and resid 78   and name HB2 ))
   (( segid "AAAA" and resid 80   and name HB  ))
 ASSI {  843}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 59   and name HA  ))
      2.500     0.800     0.800 peak   843 spectrum    1 weight  0.10000E+01 volume  0.43850E-02 ppm1      7.944 ppm2      4.118 CV     1
 OR {  843}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  843}
   (( segid "BBBB" and resid 12   and name HN  ))
   (( segid "BBBB" and resid 11   and name HA  ))
 OR {  843}
   (( segid "AAAA" and resid 12   and name HN  ))
   (( segid "AAAA" and resid 11   and name HA  ))
 OR {  843}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {  843}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 86   and name HA  ))
 ASSI {  845}
   (( segid "BBBB" and resid 2    and name HN  ))
   (( segid "AAAA" and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.29406E-02 ppm1      8.237 ppm2      4.171 CV     1
 OR {  845}
   (( segid "AAAA" and resid 2    and name HN  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  845}
   (( segid "AAAA" and resid 97   and name HN  ))
   (( segid "AAAA" and resid 97   and name HA  ))
 OR {  845}
   (( segid "BBBB" and resid 97   and name HN  ))
   (( segid "BBBB" and resid 97   and name HA  ))
 ASSI {  846}
   (( segid "BBBB" and resid 60   and name HA  ))
   (( segid "BBBB" and resid 61   and name HG2 ))
      3.300     1.400     1.400 peak   846 spectrum    1 weight  0.10000E+01 volume  0.30853E-02 ppm1      3.315 ppm2      1.433 CV     1
 OR {  846}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 61   and name HG2 ))
 OR {  846}
   (( segid "AAAA" and resid 48   and name HB2 ))
   (( segid "AAAA" and resid 49   and name HG  ))
 OR {  846}
   (( segid "BBBB" and resid 48   and name HB2 ))
   (( segid "BBBB" and resid 49   and name HG  ))
 OR {  846}
   (( segid "BBBB" and resid 72   and name HD2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  846}
   (( segid "AAAA" and resid 72   and name HD2 ))
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  846}
   (( segid "AAAA" and resid 56   and name HA  ))
   (( segid "AAAA" and resid 46   and name HG  ))
 OR {  846}
   (( segid "BBBB" and resid 56   and name HA  ))
   (( segid "BBBB" and resid 46   and name HG  ))
 OR {  846}
   (( segid "BBBB" and resid 21   and name HB2 ))
   (( segid "BBBB" and resid 83   and name HG  ))
 ASSI {  848}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 46   and name HG  ))
      3.100     3.100     2.900 peak   848 spectrum    1 weight  0.10000E+01 volume  0.26366E-02 ppm1      8.495 ppm2      1.433 CV     1
 OR {  848}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 46   and name HG  ))
 OR {  848}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 ASSI {  855}
   (( segid "AAAA" and resid 37   and name HA  ))
   (( segid "AAAA" and resid 36   and name HB2 ))
      3.000     1.100     1.100 peak   855 spectrum    1 weight  0.10000E+01 volume  0.31545E-02 ppm1      4.065 ppm2      2.890 CV     1
 OR {  855}
   (( segid "BBBB" and resid 37   and name HA  ))
   (( segid "BBBB" and resid 36   and name HB2 ))
 OR {  855}
   (( segid "BBBB" and resid 61   and name HA  ))
   (( segid "BBBB" and resid 64   and name HB2 ))
 ASSI {  858}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
      3.400     1.500     1.500 peak   858 spectrum    1 weight  0.10000E+01 volume  0.24864E-02 ppm1      7.944 ppm2      1.491 CV     1
 OR {  858}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
 ASSI {  864}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 41   and name HG  ))
      3.000     3.000     3.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.26834E-02 ppm1      2.530 ppm2      0.994 CV     1
 ASSI {  870}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "AAAA" and resid 9    and name HG  ))
      3.100     1.200     1.200 peak   870 spectrum    1 weight  0.10000E+01 volume  0.28701E-02 ppm1      3.057 ppm2      1.439 CV     1
 OR {  870}
   (( segid "AAAA" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  870}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
 ASSI {  874}
   (( segid "BBBB" and resid 30   and name HA  ))
   (( segid "BBBB" and resid 31   and name HA1 ))
      3.600     1.600     1.600 peak   874 spectrum    1 weight  0.10000E+01 volume  0.13763E-02 ppm1      4.405 ppm2      3.890 CV     1
 OR {  874}
   (( segid "AAAA" and resid 30   and name HA  ))
   (( segid "AAAA" and resid 31   and name HA1 ))
 OR {  874}
   (( segid "BBBB" and resid 30   and name HA  ))
   (( segid "BBBB" and resid 31   and name HA2 ))
 OR {  874}
   (( segid "AAAA" and resid 30   and name HA  ))
   (( segid "AAAA" and resid 31   and name HA2 ))
 OR {  874}
   (( segid "BBBB" and resid 15   and name HB  ))
   (( segid "BBBB" and resid 14   and name HA  ))
 OR {  874}
   (( segid "AAAA" and resid 15   and name HB  ))
   (( segid "AAAA" and resid 14   and name HA  ))
 ASSI {  881}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 36   and name HB2 ))
      3.400     3.400     2.600 peak   881 spectrum    1 weight  0.10000E+01 volume  0.79254E-03 ppm1      3.069 ppm2      2.884 CV     1
 OR {  881}
   (( segid "BBBB" and resid 68   and name HB2 ))
   (( segid "BBBB" and resid 76   and name HB2 ))
 OR {  881}
   (( segid "AAAA" and resid 68   and name HB2 ))
   (( segid "AAAA" and resid 76   and name HB2 ))
 OR {  881}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 36   and name HB2 ))
 OR {  881}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 64   and name HB2 ))
 ASSI {  887}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
      2.400     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.26514E-02 ppm1      7.299 ppm2      2.340 CV     1
 OR {  887}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 ASSI {  888}
   (  segid "BBBB" and resid 21   and name HE% )
   (( segid "AAAA" and resid 84   and name HA  ))
      3.300     3.300     2.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.23947E-02 ppm1      7.100 ppm2      3.545 CV     1
 OR {  888}
   (  segid "AAAA" and resid 21   and name HE% )
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  888}
   (  segid "BBBB" and resid 21   and name HE% )
   (( segid "BBBB" and resid 85   and name HA  ))
 OR {  888}
   (  segid "BBBB" and resid 21   and name HE% )
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  888}
   (  segid "AAAA" and resid 21   and name HE% )
   (( segid "AAAA" and resid 84   and name HA  ))
 OR {  888}
   (  segid "AAAA" and resid 21   and name HE% )
   (( segid "AAAA" and resid 85   and name HA  ))
 OR {  888}
   (  segid "AAAA" and resid 20   and name HE% )
   (( segid "AAAA" and resid 85   and name HA  ))
 ASSI {  894}
   (( segid "BBBB" and resid 73   and name HN  ))
   (  segid "AAAA" and resid 95   and name HG2%)
      3.000     3.000     3.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.52122E-02 ppm1      9.526 ppm2      0.865 CV     1
 OR {  894}
   (( segid "AAAA" and resid 73   and name HN  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  896}
   (  segid "BBBB" and resid 73   and name HD% )
   (( segid "BBBB" and resid 73   and name HB2 ))
      2.900     1.100     1.100 peak   896 spectrum    1 weight  0.10000E+01 volume  0.20794E-02 ppm1      6.573 ppm2      3.024 CV     1
 OR {  896}
   (  segid "BBBB" and resid 20   and name HD% )
   (( segid "BBBB" and resid 20   and name HB2 ))
 OR {  896}
   (  segid "AAAA" and resid 20   and name HD% )
   (( segid "AAAA" and resid 20   and name HB2 ))
 OR {  896}
   (  segid "AAAA" and resid 73   and name HD% )
   (( segid "AAAA" and resid 73   and name HB2 ))
 ASSI {  901}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 9    and name HA  ))
      2.800     1.000     1.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.27214E-02 ppm1      8.635 ppm2      4.159 CV     1
 OR {  901}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 9    and name HA  ))
 OR {  901}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 15   and name HA  ))
 OR {  901}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 15   and name HA  ))
 OR {  901}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 OR {  901}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 8    and name HA  ))
 ASSI {  907}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.27616E-02 ppm1      8.401 ppm2      4.130 CV     1
 OR {  907}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 38   and name HA  ))
 OR {  907}
   (( segid "AAAA" and resid 14   and name HN  ))
   (( segid "AAAA" and resid 11   and name HA  ))
 OR {  907}
   (( segid "BBBB" and resid 14   and name HN  ))
   (( segid "BBBB" and resid 11   and name HA  ))
 OR {  907}
   (( segid "BBBB" and resid 14   and name HN  ))
   (( segid "BBBB" and resid 15   and name HA  ))
 ASSI {  910}
   (( segid "BBBB" and resid 7    and name HB  ))
   (( segid "BBBB" and resid 7    and name HA  ))
      3.100     1.200     1.200 peak   910 spectrum    1 weight  0.10000E+01 volume  0.14821E-02 ppm1      4.920 ppm2      4.487 CV     1
 OR {  910}
   (( segid "AAAA" and resid 7    and name HB  ))
   (( segid "AAAA" and resid 7    and name HA  ))
 ASSI {  911}
   (( segid "BBBB" and resid 15   and name HB  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
      3.400     1.500     1.500 peak   911 spectrum    1 weight  0.10000E+01 volume  0.69064E-03 ppm1      4.381 ppm2      1.181 CV     1
 OR {  911}
   (( segid "AAAA" and resid 15   and name HB  ))
   (( segid "AAAA" and resid 15   and name HG1 ))
 OR {  911}
   (( segid "BBBB" and resid 12   and name HA  ))
   (( segid "AAAA" and resid 15   and name HG1 ))
 OR {  911}
   (( segid "AAAA" and resid 12   and name HA  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
 OR {  911}
   (( segid "BBBB" and resid 15   and name HB  ))
   (( segid "AAAA" and resid 15   and name HG1 ))
 OR {  911}
   (( segid "AAAA" and resid 15   and name HB  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
 OR {  911}
   (( segid "BBBB" and resid 12   and name HA  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
 ASSI {  912}
   (( segid "AAAA" and resid 1    and name HA  ))
   (( segid "BBBB" and resid 59   and name HG2 ))
      3.700     1.700     1.700 peak   912 spectrum    1 weight  0.10000E+01 volume  0.14605E-02 ppm1      4.358 ppm2      1.210 CV     1
 OR {  912}
   (( segid "BBBB" and resid 1    and name HA  ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR {  912}
   (( segid "AAAA" and resid 2    and name HA  ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 OR {  912}
   (( segid "BBBB" and resid 2    and name HA  ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 ASSI {  914}
   (( segid "AAAA" and resid 65   and name HB  ))
   (( segid "AAAA" and resid 62   and name HG1 ))
      3.900     1.900     1.900 peak   914 spectrum    1 weight  0.10000E+01 volume  0.89854E-03 ppm1      2.190 ppm2      1.216 CV     1
 OR {  914}
   (( segid "BBBB" and resid 65   and name HB  ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 ASSI {  930}
   (  segid "AAAA" and resid 76   and name HE% )
   (( segid "AAAA" and resid 71   and name HG  ))
      3.400     1.400     1.400 peak   930 spectrum    1 weight  0.10000E+01 volume  0.22911E-02 ppm1      6.702 ppm2      1.444 CV     1
 OR {  930}
   (  segid "BBBB" and resid 76   and name HE% )
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  930}
   (  segid "AAAA" and resid 21   and name HD% )
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  930}
   (  segid "BBBB" and resid 21   and name HD% )
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  930}
   (  segid "AAAA" and resid 21   and name HD% )
   (( segid "AAAA" and resid 83   and name HG  ))
 OR {  930}
   (  segid "BBBB" and resid 21   and name HD% )
   (( segid "BBBB" and resid 83   and name HG  ))
 ASSI {  932}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
      3.000     1.100     1.100 peak   932 spectrum    1 weight  0.10000E+01 volume  0.15261E-02 ppm1      3.537 ppm2      1.450 CV     1
 OR {  932}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
 OR {  932}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 80   and name HB  ))
 OR {  932}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 80   and name HB  ))
 ASSI {  946}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 44   and name HA  ))
      3.300     1.400     1.400 peak   946 spectrum    1 weight  0.10000E+01 volume  0.16980E-02 ppm1      7.311 ppm2      4.276 CV     1
 OR {  946}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 44   and name HA  ))
 OR {  946}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {  946}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 19   and name HA  ))
 OR {  946}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 87   and name HA  ))
 OR {  946}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 19   and name HA  ))
 OR {  946}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 22   and name HB  ))
 ASSI {  947}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 39   and name HN  ))
      3.700     1.700     1.700 peak   947 spectrum    1 weight  0.10000E+01 volume  0.82554E-03 ppm1      8.553 ppm2      8.430 CV     1
 OR {  947}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 39   and name HN  ))
 OR {  947}
   (( segid "BBBB" and resid 54   and name HN  ))
   (( segid "BBBB" and resid 52   and name HN  ))
 ASSI {  948}
   (( segid "BBBB" and resid 23   and name HA  ))
   (( segid "BBBB" and resid 23   and name HB2 ))
      2.800     1.000     1.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.17686E-02 ppm1      3.971 ppm2      2.761 CV     1
 OR {  948}
   (( segid "AAAA" and resid 23   and name HA  ))
   (( segid "AAAA" and resid 23   and name HB2 ))
 ASSI {  951}
   (( segid "BBBB" and resid 56   and name HA  ))
   (( segid "BBBB" and resid 57   and name HB2 ))
      4.000     2.000     2.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.11528E-02 ppm1      3.326 ppm2      2.521 CV     1
 OR {  951}
   (( segid "AAAA" and resid 56   and name HA  ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 OR {  951}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 OR {  951}
   (( segid "BBBB" and resid 60   and name HA  ))
   (( segid "BBBB" and resid 57   and name HB2 ))
 ASSI {  955}
   (( segid "BBBB" and resid 77   and name HA  ))
   (  segid "BBBB" and resid 80   and name HG2%)
      3.600     1.600     1.600 peak   955 spectrum    1 weight  0.10000E+01 volume  0.15416E-02 ppm1      3.737 ppm2      0.766 CV     1
 OR {  955}
   (( segid "AAAA" and resid 77   and name HA  ))
   (  segid "AAAA" and resid 80   and name HG2%)
 ASSI {  956}
   (( segid "BBBB" and resid 46   and name HA  ))
   (( segid "BBBB" and resid 51   and name HE2 ))
      3.200     3.200     2.800 peak   956 spectrum    1 weight  0.10000E+01 volume  0.17950E-02 ppm1      3.467 ppm2      3.100 CV     1
 OR {  956}
   (( segid "AAAA" and resid 46   and name HA  ))
   (( segid "AAAA" and resid 51   and name HE2 ))
 OR {  956}
   (( segid "AAAA" and resid 42   and name HA  ))
   (( segid "AAAA" and resid 59   and name HD2 ))
 OR {  956}
   (( segid "BBBB" and resid 42   and name HA  ))
   (( segid "BBBB" and resid 59   and name HD2 ))
 OR {  956}
   (( segid "AAAA" and resid 46   and name HA  ))
   (( segid "AAAA" and resid 59   and name HD2 ))
 OR {  956}
   (( segid "BBBB" and resid 34   and name HB2 ))
   (( segid "BBBB" and resid 38   and name HB2 ))
 ASSI {  961}
   (( segid "BBBB" and resid 60   and name HA  ))
   (( segid "BBBB" and resid 39   and name HG2 ))
      4.300     2.300     1.700 peak   961 spectrum    1 weight  0.10000E+01 volume  0.92975E-03 ppm1      3.315 ppm2      1.286 CV     1
 OR {  961}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
 ASSI {  967}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 88   and name HG2 ))
      3.600     1.600     1.600 peak   967 spectrum    1 weight  0.10000E+01 volume  0.16745E-02 ppm1      3.549 ppm2      1.573 CV     1
 OR {  967}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 88   and name HG2 ))
 OR {  967}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 88   and name HG2 ))
 OR {  967}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 88   and name HG2 ))
 ASSI {  968}
   (( segid "BBBB" and resid 92   and name HN  ))
   (( segid "BBBB" and resid 90   and name HA  ))
      3.100     1.200     1.200 peak   968 spectrum    1 weight  0.10000E+01 volume  0.21962E-02 ppm1      8.084 ppm2      4.007 CV     1
 OR {  968}
   (( segid "AAAA" and resid 92   and name HN  ))
   (( segid "AAAA" and resid 90   and name HA  ))
 OR {  968}
   (( segid "AAAA" and resid 92   and name HN  ))
   (( segid "AAAA" and resid 88   and name HA  ))
 OR {  968}
   (( segid "AAAA" and resid 92   and name HN  ))
   (( segid "BBBB" and resid 74   and name HA  ))
 ASSI {  970}
   (  segid "BBBB" and resid 23   and name HD% )
   (( segid "BBBB" and resid 41   and name HG  ))
      3.600     1.600     1.600 peak   970 spectrum    1 weight  0.10000E+01 volume  0.18780E-02 ppm1      6.866 ppm2      1.006 CV     1
 OR {  970}
   (  segid "AAAA" and resid 23   and name HD% )
   (( segid "AAAA" and resid 41   and name HG  ))
 ASSI {  974}
   (( segid "BBBB" and resid 96   and name HA  ))
   (( segid "BBBB" and resid 96   and name HD2 ))
      3.200     1.300     1.300 peak   974 spectrum    1 weight  0.10000E+01 volume  0.14956E-02 ppm1      4.241 ppm2      3.106 CV     1
 OR {  974}
   (( segid "AAAA" and resid 96   and name HA  ))
   (( segid "AAAA" and resid 96   and name HD2 ))
 ASSI {  976}
   (( segid "BBBB" and resid 88   and name HA  ))
   (( segid "BBBB" and resid 85   and name HA  ))
      4.200     2.200     1.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.66361E-03 ppm1      4.018 ppm2      3.551 CV     1
 OR {  976}
   (( segid "AAAA" and resid 88   and name HA  ))
   (( segid "AAAA" and resid 85   and name HA  ))
 OR {  976}
   (( segid "AAAA" and resid 88   and name HA  ))
   (( segid "AAAA" and resid 84   and name HA  ))
 ASSI {  981}
   (  segid "BBBB" and resid 20   and name HD% )
   (( segid "BBBB" and resid 41   and name HG  ))
      3.700     1.700     1.700 peak   981 spectrum    1 weight  0.10000E+01 volume  0.14876E-02 ppm1      6.573 ppm2      1.000 CV     1
 OR {  981}
   (  segid "AAAA" and resid 20   and name HD% )
   (( segid "AAAA" and resid 41   and name HG  ))
 ASSI {  993}
   (( segid "BBBB" and resid 47   and name HA  ))
   (( segid "BBBB" and resid 48   and name HB2 ))
      4.000     2.000     2.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.16056E-02 ppm1      4.194 ppm2      3.323 CV     1
 OR {  993}
   (( segid "AAAA" and resid 47   and name HA  ))
   (( segid "AAAA" and resid 48   and name HB2 ))
 OR {  993}
   (( segid "AAAA" and resid 49   and name HA  ))
   (( segid "AAAA" and resid 48   and name HB2 ))
 OR {  993}
   (( segid "BBBB" and resid 49   and name HA  ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 OR {  993}
   (( segid "AAAA" and resid 63   and name HA  ))
   (( segid "AAAA" and resid 60   and name HA  ))
 ASSI {  994}
   (( segid "AAAA" and resid 96   and name HA  ))
   (( segid "AAAA" and resid 96   and name HB2 ))
      3.400     1.400     1.400 peak   994 spectrum    1 weight  0.10000E+01 volume  0.76406E-03 ppm1      4.252 ppm2      1.731 CV     1
 OR {  994}
   (( segid "AAAA" and resid 57   and name HA  ))
   (( segid "AAAA" and resid 60   and name HB2 ))
 OR {  994}
   (( segid "BBBB" and resid 96   and name HA  ))
   (( segid "BBBB" and resid 96   and name HB2 ))
 OR {  994}
   (( segid "BBBB" and resid 57   and name HA  ))
   (( segid "BBBB" and resid 60   and name HB2 ))
 ASSI {  995}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 85   and name HA  ))
      3.500     1.500     1.500 peak   995 spectrum    1 weight  0.10000E+01 volume  0.10847E-02 ppm1      4.088 ppm2      3.545 CV     1
 OR {  995}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 85   and name HA  ))
 OR {  995}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  995}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 84   and name HA  ))
 ASSI { 1002}
   (( segid "AAAA" and resid 90   and name HG2 ))
   (( segid "AAAA" and resid 90   and name HB2 ))
      4.100     2.100     1.900 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.21062E-03 ppm1      2.260 ppm2      2.088 CV     1
 OR { 1002}
   (( segid "BBBB" and resid 90   and name HG2 ))
   (( segid "BBBB" and resid 90   and name HB2 ))
 OR { 1002}
   (( segid "AAAA" and resid 8    and name HG2 ))
   (( segid "AAAA" and resid 8    and name HB2 ))
 OR { 1002}
   (( segid "BBBB" and resid 8    and name HG2 ))
   (( segid "BBBB" and resid 8    and name HB2 ))
 ASSI { 1007}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
      4.400     2.400     1.600 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.96671E-03 ppm1      2.530 ppm2      1.205 CV     1
 OR { 1007}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 OR { 1007}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 63   and name HG  ))
 ASSI { 1010}
   (( segid "BBBB" and resid 6    and name HA  ))
   (( segid "AAAA" and resid 89   and name HG2 ))
      3.600     1.600     1.600 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.10312E-02 ppm1      4.358 ppm2      0.994 CV     1
 OR { 1010}
   (( segid "AAAA" and resid 6    and name HA  ))
   (( segid "BBBB" and resid 89   and name HG2 ))
 OR { 1010}
   (( segid "BBBB" and resid 1    and name HA  ))
   (( segid "AAAA" and resid 41   and name HG  ))
 ASSI { 1012}
   (( segid "BBBB" and resid 69   and name HA  ))
   (( segid "BBBB" and resid 78   and name HD2 ))
      4.000     2.000     2.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.75698E-03 ppm1      4.323 ppm2      3.170 CV     1
 OR { 1012}
   (( segid "AAAA" and resid 69   and name HA  ))
   (( segid "AAAA" and resid 78   and name HD2 ))
 OR { 1012}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 89   and name HE2 ))
 ASSI { 1016}
   (( segid "AAAA" and resid 72   and name HB2 ))
   (( segid "AAAA" and resid 30   and name HB2 ))
      4.200     2.200     1.800 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.62270E-03 ppm1      2.295 ppm2      1.889 CV     1
 OR { 1016}
   (( segid "BBBB" and resid 72   and name HB2 ))
   (( segid "BBBB" and resid 30   and name HB2 ))
 OR { 1016}
   (( segid "AAAA" and resid 86   and name HG2 ))
   (( segid "AAAA" and resid 87   and name HB  ))
 OR { 1016}
   (( segid "BBBB" and resid 86   and name HG2 ))
   (( segid "BBBB" and resid 87   and name HB  ))
 OR { 1016}
   (( segid "AAAA" and resid 90   and name HG2 ))
   (( segid "AAAA" and resid 87   and name HB  ))
 OR { 1016}
   (( segid "BBBB" and resid 58   and name HG2 ))
   (( segid "BBBB" and resid 59   and name HB2 ))
 OR { 1016}
   (( segid "AAAA" and resid 58   and name HG2 ))
   (( segid "AAAA" and resid 59   and name HB2 ))
 ASSI { 1017}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 40   and name HA  ))
      3.200     1.300     1.300 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.17943E-02 ppm1      7.909 ppm2      3.978 CV     1
 OR { 1017}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 40   and name HA  ))
 OR { 1017}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 40   and name HA  ))
 OR { 1017}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 40   and name HA  ))
 OR { 1017}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 58   and name HA  ))
 OR { 1017}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 58   and name HA  ))
 OR { 1017}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 39   and name HA  ))
 OR { 1017}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 39   and name HA  ))
 OR { 1017}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 39   and name HA  ))
 OR { 1017}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 39   and name HA  ))
 OR { 1017}
   (( segid "AAAA" and resid 5    and name HN  ))
   (( segid "BBBB" and resid 51   and name HA  ))
 ASSI { 1020}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 10   and name HA  ))
      3.900     1.900     1.900 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.93035E-03 ppm1      8.670 ppm2      3.697 CV     1
 OR { 1020}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
 OR { 1020}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
 OR { 1020}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 10   and name HA  ))
 ASSI { 1022}
   (( segid "BBBB" and resid 51   and name HN  ))
   (( segid "BBBB" and resid 48   and name HB2 ))
      3.800     1.800     1.800 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.11697E-02 ppm1      7.100 ppm2      3.328 CV     1
 OR { 1022}
   (( segid "AAAA" and resid 51   and name HN  ))
   (( segid "AAAA" and resid 48   and name HB2 ))
 OR { 1022}
   (  segid "BBBB" and resid 21   and name HE% )
   (( segid "BBBB" and resid 21   and name HB2 ))
 ASSI { 1024}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 80   and name HA  ))
      3.700     1.700     1.700 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.54850E-03 ppm1      3.561 ppm2      3.252 CV     1
 OR { 1024}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 80   and name HA  ))
 ASSI { 1032}
   (( segid "AAAA" and resid 32   and name HA  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
      3.200     1.300     1.300 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.94304E-03 ppm1      5.155 ppm2      3.674 CV     1
 OR { 1032}
   (( segid "BBBB" and resid 32   and name HA  ))
   (( segid "BBBB" and resid 32   and name HB2 ))
 ASSI { 1034}
   (  segid "AAAA" and resid 73   and name HE% )
   (( segid "AAAA" and resid 75   and name HB2 ))
      2.600     2.600     3.400 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.16761E-02 ppm1      7.100 ppm2      2.275 CV     1
 OR { 1034}
   (  segid "BBBB" and resid 73   and name HE% )
   (( segid "BBBB" and resid 75   and name HB2 ))
 OR { 1034}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 OR { 1034}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 ASSI { 1035}
   (  segid "BBBB" and resid 38   and name HD% )
   (( segid "BBBB" and resid 38   and name HB2 ))
      2.900     1.100     1.100 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.12222E-02 ppm1      7.018 ppm2      3.089 CV     1
 OR { 1035}
   (  segid "AAAA" and resid 38   and name HD% )
   (( segid "AAAA" and resid 38   and name HB2 ))
 OR { 1035}
   (  segid "BBBB" and resid 23   and name HE% )
   (( segid "BBBB" and resid 38   and name HB2 ))
 OR { 1035}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 20   and name HB2 ))
 OR { 1035}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 20   and name HB2 ))
 ASSI { 1044}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 41   and name HG  ))
      3.300     1.400     1.400 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.29050E-02 ppm1      3.069 ppm2      0.994 CV     1
 OR { 1044}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 41   and name HG  ))
 ASSI { 1049}
   (( segid "AAAA" and resid 44   and name HA  ))
   (( segid "AAAA" and resid 47   and name HD2 ))
      3.600     1.600     1.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.67050E-03 ppm1      4.241 ppm2      3.176 CV     1
 OR { 1049}
   (( segid "BBBB" and resid 44   and name HA  ))
   (( segid "BBBB" and resid 47   and name HD2 ))
 OR { 1049}
   (( segid "AAAA" and resid 44   and name HA  ))
   (( segid "AAAA" and resid 47   and name HD1 ))
 OR { 1049}
   (( segid "BBBB" and resid 44   and name HA  ))
   (( segid "BBBB" and resid 47   and name HD1 ))
 ASSI { 1055}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 69   and name HA  ))
      4.200     2.200     1.800 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.11537E-02 ppm1      7.241 ppm2      4.317 CV     1
 OR { 1055}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 69   and name HA  ))
 OR { 1055}
   (( segid "BBBB" and resid 77   and name HD1 ))
   (( segid "BBBB" and resid 69   and name HA  ))
 ASSI { 1059}
   (( segid "AAAA" and resid 67   and name HE21))
   (( segid "AAAA" and resid 67   and name HG2 ))
      2.900     1.000     1.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.20846E-02 ppm1      7.920 ppm2      2.316 CV     1
 OR { 1059}
   (( segid "BBBB" and resid 67   and name HE21))
   (( segid "BBBB" and resid 67   and name HG2 ))
 OR { 1059}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 OR { 1059}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 ASSI { 1061}
   (( segid "BBBB" and resid 42   and name HA  ))
   (( segid "BBBB" and resid 45   and name HG2 ))
      3.700     1.700     1.700 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.10213E-02 ppm1      3.467 ppm2      2.293 CV     1
 OR { 1061}
   (( segid "AAAA" and resid 42   and name HA  ))
   (( segid "AAAA" and resid 45   and name HG2 ))
 OR { 1061}
   (( segid "AAAA" and resid 13   and name HA  ))
   (( segid "AAAA" and resid 17   and name HB  ))
 OR { 1061}
   (( segid "BBBB" and resid 13   and name HA  ))
   (( segid "BBBB" and resid 17   and name HB  ))
 ASSI { 1065}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 17   and name HN  ))
      2.900     1.000     1.000 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.14301E-02 ppm1      8.635 ppm2      8.243 CV     1
 OR { 1065}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 17   and name HN  ))

!run15 noe table

ASSI {  261}
   (( segid "AAAA" and resid 25   and name HN  ))
   (( segid "AAAA" and resid 25   and name HA2 ))
      2.900     1.000     1.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.43754E-02 ppm1      7.462 ppm2      3.853 CV     1
 OR {  261}
   (( segid "BBBB" and resid 25   and name HN  ))
   (( segid "BBBB" and resid 25   and name HA2 ))
 ASSI {  264}
   (( segid "AAAA" and resid 25   and name HN  ))
   (( segid "AAAA" and resid 26   and name HB2 ))
      3.600     1.700     1.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.21533E-02 ppm1      7.462 ppm2      2.020 CV     1
 OR {  264}
   (( segid "BBBB" and resid 25   and name HN  ))
   (( segid "BBBB" and resid 26   and name HB2 ))
 ASSI {  283}
   (( segid "BBBB" and resid 25   and name HN  ))
   (( segid "BBBB" and resid 24   and name HN  ))
      2.400     0.700     0.700 peak   283 spectrum    1 weight  0.10000E+01 volume  0.59763E-02 ppm1      7.462 ppm2      8.447 CV     1
 OR {  283}
   (( segid "AAAA" and resid 25   and name HN  ))
   (( segid "AAAA" and resid 24   and name HN  ))
 ASSI {  295}
   (( segid "BBBB" and resid 31   and name HN  ))
   (( segid "BBBB" and resid 30   and name HA  ))
      3.900     1.900     1.900 peak   295 spectrum    1 weight  0.10000E+01 volume  0.89846E-03 ppm1      8.276 ppm2      4.372 CV     1
 OR {  295}
   (( segid "AAAA" and resid 31   and name HN  ))
   (( segid "AAAA" and resid 30   and name HA  ))
 ASSI {  299}
   (( segid "BBBB" and resid 31   and name HN  ))
   (( segid "BBBB" and resid 73   and name HB2 ))
      4.000     2.100     2.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.13354E-02 ppm1      8.290 ppm2      3.005 CV     1
 OR {  299}
   (( segid "AAAA" and resid 31   and name HN  ))
   (( segid "AAAA" and resid 73   and name HB2 ))
 ASSI {  301}
   (( segid "AAAA" and resid 31   and name HN  ))
   (( segid "AAAA" and resid 72   and name HG2 ))
      2.700     0.900     0.900 peak   301 spectrum    1 weight  0.10000E+01 volume  0.38204E-02 ppm1      8.269 ppm2      1.719 CV     1
 OR {  301}
   (( segid "BBBB" and resid 31   and name HN  ))
   (( segid "BBBB" and resid 72   and name HG2 ))
 ASSI {  308}
   (( segid "AAAA" and resid 31   and name HN  ))
   (( segid "AAAA" and resid 32   and name HN  ))
      2.300     0.700     0.700 peak   308 spectrum    1 weight  0.10000E+01 volume  0.60812E-02 ppm1      8.276 ppm2      7.025 CV     1
 OR {  308}
   (( segid "BBBB" and resid 31   and name HN  ))
   (( segid "BBBB" and resid 32   and name HN  ))
 ASSI {  449}
   (( segid "AAAA" and resid 94   and name HN  ))
   (  segid "AAAA" and resid 95   and name HG2%)
      3.200     1.300     1.300 peak   449 spectrum    1 weight  0.10000E+01 volume  0.44429E-02 ppm1      7.839 ppm2      0.817 CV     1
 OR {  449}
   (( segid "BBBB" and resid 94   and name HN  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  453}
   (( segid "BBBB" and resid 94   and name HN  ))
   (( segid "BBBB" and resid 93   and name HB2 ))
      2.800     1.000     1.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.79486E-02 ppm1      7.839 ppm2      1.665 CV     1
 OR {  453}
   (( segid "AAAA" and resid 94   and name HN  ))
   (( segid "AAAA" and resid 93   and name HB2 ))
 ASSI {  456}
   (( segid "BBBB" and resid 94   and name HN  ))
   (( segid "BBBB" and resid 93   and name HN  ))
      2.700     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.26679E-02 ppm1      7.839 ppm2      7.517 CV     1
 OR {  456}
   (( segid "AAAA" and resid 94   and name HN  ))
   (( segid "AAAA" and resid 93   and name HN  ))
 ASSI {  459}
   (( segid "AAAA" and resid 94   and name HN  ))
   (( segid "AAAA" and resid 93   and name HG  ))
      2.600     2.600     3.400 peak   459 spectrum    1 weight  0.10000E+01 volume  0.68229E-02 ppm1      7.839 ppm2      1.391 CV     1
 OR {  459}
   (( segid "BBBB" and resid 94   and name HN  ))
   (( segid "BBBB" and resid 93   and name HG  ))
 ASSI {  526}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
      3.000     1.200     1.200 peak   526 spectrum    1 weight  0.10000E+01 volume  0.36637E-02 ppm1      7.066 ppm2      3.661 CV     1
 OR {  526}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 32   and name HB2 ))
 ASSI {  528}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 31   and name HN  ))
      2.300     0.700     0.700 peak   528 spectrum    1 weight  0.10000E+01 volume  0.62099E-02 ppm1      7.066 ppm2      8.256 CV     1
 OR {  528}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 31   and name HN  ))
 ASSI {  533}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 68   and name HA  ))
      3.900     3.900     2.100 peak   533 spectrum    1 weight  0.10000E+01 volume  0.12374E-02 ppm1      7.045 ppm2      4.837 CV     1
 OR {  533}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 68   and name HA  ))
 ASSI {  535}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 33   and name HB2 ))
      3.200     3.200     2.800 peak   535 spectrum    1 weight  0.10000E+01 volume  0.31592E-02 ppm1      7.066 ppm2      1.993 CV     1
 OR {  535}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 33   and name HB2 ))
 OR {  535}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 78   and name HB2 ))
 ASSI {  543}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 32   and name HA  ))
      2.400     0.700     0.700 peak   543 spectrum    1 weight  0.10000E+01 volume  0.33296E-02 ppm1      7.066 ppm2      5.138 CV     1
 OR {  543}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 32   and name HA  ))
 ASSI {  545}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 30   and name HA  ))
      3.300     3.300     2.700 peak   545 spectrum    1 weight  0.10000E+01 volume  0.59827E-02 ppm1      7.066 ppm2      4.372 CV     1
 OR {  545}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 30   and name HA  ))
 OR {  545}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 75   and name HA  ))
 ASSI {  555}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 72   and name HG2 ))
      2.600     0.800     0.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.37406E-02 ppm1      7.073 ppm2      1.747 CV     1
 OR {  555}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 72   and name HG2 ))
 ASSI {  612}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 43   and name HB  ))
      2.700     0.900     0.900 peak   612 spectrum    1 weight  0.10000E+01 volume  0.64626E-02 ppm1      7.921 ppm2      4.071 CV     1
 OR {  612}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 43   and name HB  ))
 ASSI {  623}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 44   and name HB2 ))
      3.300     1.300     1.300 peak   623 spectrum    1 weight  0.10000E+01 volume  0.25907E-02 ppm1      7.921 ppm2      2.321 CV     1
 OR {  623}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 44   and name HB2 ))
 OR {  623}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 45   and name HG2 ))
 OR {  623}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 45   and name HG2 ))
 ASSI {  624}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 44   and name HN  ))
      2.100     0.600     0.600 peak   624 spectrum    1 weight  0.10000E+01 volume  0.85985E-02 ppm1      7.927 ppm2      8.447 CV     1
 OR {  624}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 44   and name HN  ))
 ASSI {  628}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 43   and name HA  ))
      2.200     0.600     0.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.58805E-02 ppm1      7.927 ppm2      3.798 CV     1
 OR {  628}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 43   and name HA  ))
 ASSI {  633}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 42   and name HA  ))
      2.500     0.800     0.800 peak   633 spectrum    1 weight  0.10000E+01 volume  0.45507E-02 ppm1      7.927 ppm2      3.470 CV     1
 OR {  633}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 42   and name HA  ))
 ASSI {  651}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 47   and name HD2 ))
      3.900     1.900     1.900 peak   651 spectrum    1 weight  0.10000E+01 volume  0.12627E-02 ppm1      7.893 ppm2      3.224 CV     1
 OR {  651}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 47   and name HD2 ))
 OR {  651}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 47   and name HD1 ))
 OR {  651}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 47   and name HD1 ))
 ASSI {  657}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 1    and name HB2 ))
      3.300     1.400     1.400 peak   657 spectrum    1 weight  0.10000E+01 volume  0.44106E-02 ppm1      7.914 ppm2      1.993 CV     1
 OR {  657}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 1    and name HB2 ))
 ASSI {  714}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 61   and name HN  ))
      2.200     0.600     0.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.76756E-02 ppm1      7.797 ppm2      7.162 CV     1
 OR {  714}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 61   and name HN  ))
 ASSI {  715}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 61   and name HG2 ))
      3.400     1.400     1.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.28299E-02 ppm1      7.797 ppm2      1.391 CV     1
 OR {  715}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 61   and name HG2 ))
 ASSI {  718}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 63   and name HN  ))
      2.100     0.600     0.600 peak   718 spectrum    1 weight  0.10000E+01 volume  0.92190E-02 ppm1      7.797 ppm2      7.517 CV     1
 OR {  718}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 63   and name HN  ))
 ASSI {  719}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 61   and name HB2 ))
      1.900     0.500     0.500 peak   719 spectrum    1 weight  0.10000E+01 volume  0.10864E-01 ppm1      7.797 ppm2      1.911 CV     1
 OR {  719}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 61   and name HB2 ))
 ASSI {  723}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 62   and name HB  ))
      2.800     1.000     1.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.23419E-02 ppm1      7.797 ppm2      3.962 CV     1
 OR {  723}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 62   and name HB  ))
 ASSI {  725}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 63   and name HB2 ))
      2.900     2.900     3.100 peak   725 spectrum    1 weight  0.10000E+01 volume  0.52056E-02 ppm1      7.804 ppm2      1.665 CV     1
 OR {  725}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 63   and name HB2 ))
 OR {  725}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 61   and name HD2 ))
 ASSI {  728}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 62   and name HA  ))
      3.000     1.100     1.100 peak   728 spectrum    1 weight  0.10000E+01 volume  0.15499E-02 ppm1      7.797 ppm2      4.181 CV     1
 OR {  728}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 62   and name HA  ))
 ASSI {  730}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 62   and name HG1 ))
      2.000     0.500     0.500 peak   730 spectrum    1 weight  0.10000E+01 volume  0.10030E-01 ppm1      7.797 ppm2      1.227 CV     1
 OR {  730}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 ASSI {  742}
   (( segid "AAAA" and resid 67   and name HE22))
   (( segid "AAAA" and resid 75   and name HN  ))
      3.700     3.700     2.300 peak   742 spectrum    1 weight  0.10000E+01 volume  0.16441E-02 ppm1      6.847 ppm2      7.107 CV     1
 OR {  742}
   (( segid "BBBB" and resid 67   and name HE22))
   (( segid "BBBB" and resid 75   and name HN  ))
 OR {  742}
   (( segid "AAAA" and resid 67   and name HE22))
   (  segid "AAAA" and resid 73   and name HE% )
 ASSI {  754}
   (( segid "AAAA" and resid 67   and name HE21))
   (( segid "AAAA" and resid 67   and name HG2 ))
      2.100     0.600     0.600 peak   754 spectrum    1 weight  0.10000E+01 volume  0.49954E-02 ppm1      7.866 ppm2      2.294 CV     1
 OR {  754}
   (( segid "BBBB" and resid 67   and name HE21))
   (( segid "BBBB" and resid 67   and name HG2 ))
 ASSI {  764}
   (( segid "AAAA" and resid 67   and name HE22))
   (( segid "AAAA" and resid 67   and name HG2 ))
      3.400     1.400     1.400 peak   764 spectrum    1 weight  0.10000E+01 volume  0.29547E-02 ppm1      6.840 ppm2      2.294 CV     1
 OR {  764}
   (( segid "BBBB" and resid 67   and name HE22))
   (( segid "BBBB" and resid 67   and name HG2 ))
 ASSI {  770}
   (( segid "AAAA" and resid 67   and name HE22))
   (( segid "AAAA" and resid 67   and name HB2 ))
      3.900     1.900     1.900 peak   770 spectrum    1 weight  0.10000E+01 volume  0.28043E-02 ppm1      6.833 ppm2      2.184 CV     1
 OR {  770}
   (( segid "BBBB" and resid 67   and name HE22))
   (( segid "BBBB" and resid 67   and name HB2 ))
 ASSI {  772}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 86   and name HB2 ))
      3.600     1.600     1.600 peak   772 spectrum    1 weight  0.10000E+01 volume  0.23122E-02 ppm1      8.679 ppm2      2.102 CV     1
 OR {  772}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 86   and name HB2 ))
 ASSI {  777}
   (( segid "BBBB" and resid 54   and name HN  ))
   (( segid "BBBB" and resid 55   and name HB2 ))
      3.300     3.300     2.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.31174E-02 ppm1      8.550 ppm2      3.771 CV     1
 OR {  777}
   (( segid "AAAA" and resid 54   and name HN  ))
   (( segid "AAAA" and resid 55   and name HB2 ))
 ASSI {  780}
   (( segid "BBBB" and resid 54   and name HN  ))
   (( segid "AAAA" and resid 4    and name HB2 ))
      3.300     1.400     1.400 peak   780 spectrum    1 weight  0.10000E+01 volume  0.13470E-02 ppm1      8.550 ppm2      1.774 CV     1
 OR {  780}
   (( segid "AAAA" and resid 54   and name HN  ))
   (( segid "BBBB" and resid 4    and name HB2 ))
 ASSI {  781}
   (( segid "BBBB" and resid 54   and name HN  ))
   (( segid "BBBB" and resid 53   and name HB  ))
      3.200     1.300     1.300 peak   781 spectrum    1 weight  0.10000E+01 volume  0.32060E-02 ppm1      8.550 ppm2      2.075 CV     1
 OR {  781}
   (( segid "AAAA" and resid 54   and name HN  ))
   (( segid "AAAA" and resid 53   and name HB  ))
 ASSI {  783}
   (( segid "AAAA" and resid 54   and name HN  ))
   (( segid "AAAA" and resid 54   and name HA1 ))
      4.100     2.100     1.900 peak   783 spectrum    1 weight  0.10000E+01 volume  0.19262E-03 ppm1      8.550 ppm2      3.962 CV     1
 OR {  783}
   (( segid "BBBB" and resid 54   and name HN  ))
   (( segid "BBBB" and resid 54   and name HA1 ))
 ASSI {  786}
   (( segid "AAAA" and resid 67   and name HE22))
   (( segid "AAAA" and resid 67   and name HA  ))
      4.200     2.200     1.800 peak   786 spectrum    1 weight  0.10000E+01 volume  0.11864E-02 ppm1      6.840 ppm2      3.962 CV     1
 OR {  786}
   (( segid "BBBB" and resid 67   and name HE22))
   (( segid "BBBB" and resid 67   and name HA  ))
 ASSI {  788}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 86   and name HA  ))
      3.500     1.500     1.500 peak   788 spectrum    1 weight  0.10000E+01 volume  0.18588E-02 ppm1      8.700 ppm2      4.099 CV     1
 OR {  788}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {  788}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 ASSI {  793}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 6    and name HB2 ))
      2.500     0.800     0.800 peak   793 spectrum    1 weight  0.10000E+01 volume  0.68384E-02 ppm1      8.693 ppm2      1.665 CV     1
 OR {  793}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 6    and name HB2 ))
 OR {  793}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 9    and name HB2 ))
 ASSI {  794}
   (( segid "BBBB" and resid 7    and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
      2.800     1.000     1.000 peak   794 spectrum    1 weight  0.10000E+01 volume  0.72230E-02 ppm1      8.693 ppm2      1.391 CV     1
 OR {  794}
   (( segid "AAAA" and resid 7    and name HN  ))
   (  segid "AAAA" and resid 7    and name HG2%)
 ASSI {  800}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 6    and name HA  ))
      2.100     0.600     0.600 peak   800 spectrum    1 weight  0.10000E+01 volume  0.75664E-02 ppm1      8.686 ppm2      4.372 CV     1
 OR {  800}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 6    and name HA  ))
 ASSI {  810}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
      3.600     1.700     1.700 peak   810 spectrum    1 weight  0.10000E+01 volume  0.21941E-02 ppm1      8.666 ppm2      3.743 CV     1
 OR {  810}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 10   and name HA  ))
 ASSI {  817}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 46   and name HB2 ))
      3.300     1.400     1.400 peak   817 spectrum    1 weight  0.10000E+01 volume  0.33124E-02 ppm1      8.303 ppm2      1.665 CV     1
 OR {  817}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 46   and name HB2 ))
 ASSI {  821}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 45   and name HB2 ))
      2.600     0.800     0.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.44239E-02 ppm1      8.303 ppm2      1.856 CV     1
 OR {  821}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 45   and name HB2 ))
 ASSI {  822}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 42   and name HA  ))
      3.500     1.600     1.600 peak   822 spectrum    1 weight  0.10000E+01 volume  0.18583E-02 ppm1      8.303 ppm2      3.442 CV     1
 OR {  822}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 42   and name HA  ))
 ASSI {  824}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 43   and name HN  ))
      3.400     1.400     1.400 peak   824 spectrum    1 weight  0.10000E+01 volume  0.13392E-02 ppm1      8.331 ppm2      7.955 CV     1
 OR {  824}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 43   and name HN  ))
 ASSI {  826}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 46   and name HN  ))
      2.100     0.500     0.500 peak   826 spectrum    1 weight  0.10000E+01 volume  0.91230E-02 ppm1      8.303 ppm2      7.298 CV     1
 OR {  826}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 46   and name HN  ))
 ASSI {  828}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 44   and name HA  ))
      3.000     1.100     1.100 peak   828 spectrum    1 weight  0.10000E+01 volume  0.33204E-02 ppm1      8.310 ppm2      4.263 CV     1
 OR {  828}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 44   and name HA  ))
 OR {  828}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 41   and name HA  ))
 OR {  828}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 41   and name HA  ))
 ASSI {  830}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 45   and name HG2 ))
      1.900     0.500     0.500 peak   830 spectrum    1 weight  0.10000E+01 volume  0.78519E-02 ppm1      8.303 ppm2      2.294 CV     1
 OR {  830}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 45   and name HG2 ))
 ASSI {  836}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      3.200     3.200     2.800 peak   836 spectrum    1 weight  0.10000E+01 volume  0.40724E-02 ppm1      8.303 ppm2      2.540 CV     1
 ASSI {  841}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 46   and name HG  ))
      3.300     1.400     1.400 peak   841 spectrum    1 weight  0.10000E+01 volume  0.24762E-02 ppm1      8.303 ppm2      1.446 CV     1
 OR {  841}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 46   and name HG  ))
 ASSI {  855}
   (( segid "AAAA" and resid 74   and name HN  ))
   (( segid "AAAA" and resid 73   and name HB2 ))
      2.200     0.600     0.600 peak   855 spectrum    1 weight  0.10000E+01 volume  0.37232E-02 ppm1      8.932 ppm2      2.977 CV     1
 OR {  855}
   (( segid "BBBB" and resid 74   and name HN  ))
   (( segid "BBBB" and resid 73   and name HB2 ))
 ASSI {  857}
   (( segid "BBBB" and resid 74   and name HN  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
      4.000     2.000     2.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.28475E-02 ppm1      8.932 ppm2      2.266 CV     1
 OR {  857}
   (( segid "AAAA" and resid 74   and name HN  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 ASSI {  858}
   (( segid "BBBB" and resid 74   and name HN  ))
   (( segid "BBBB" and resid 76   and name HA  ))
      3.200     3.200     2.800 peak   858 spectrum    1 weight  0.10000E+01 volume  0.96269E-02 ppm1      8.932 ppm2      4.071 CV     1
 OR {  858}
   (( segid "AAAA" and resid 74   and name HN  ))
   (( segid "AAAA" and resid 76   and name HA  ))
 ASSI {  861}
   (( segid "BBBB" and resid 74   and name HN  ))
   (( segid "BBBB" and resid 73   and name HN  ))
      2.800     1.000     1.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.19364E-02 ppm1      8.939 ppm2      9.486 CV     1
 OR {  861}
   (( segid "AAAA" and resid 74   and name HN  ))
   (( segid "AAAA" and resid 73   and name HN  ))
 ASSI {  871}
   (( segid "AAAA" and resid 74   and name HN  ))
   (  segid "AAAA" and resid 73   and name HD% )
      3.400     1.400     1.400 peak   871 spectrum    1 weight  0.10000E+01 volume  0.34223E-02 ppm1      8.932 ppm2      6.560 CV     1
 OR {  871}
   (( segid "BBBB" and resid 74   and name HN  ))
   (  segid "BBBB" and resid 73   and name HD% )
 ASSI {  878}
   (( segid "BBBB" and resid 74   and name HN  ))
   (( segid "BBBB" and resid 75   and name HN  ))
      2.100     0.500     0.500 peak   878 spectrum    1 weight  0.10000E+01 volume  0.40277E-02 ppm1      8.926 ppm2      7.080 CV     1
 OR {  878}
   (( segid "AAAA" and resid 74   and name HN  ))
   (( segid "AAAA" and resid 75   and name HN  ))
 ASSI {  882}
   (( segid "AAAA" and resid 45   and name HE22))
   (( segid "AAAA" and resid 41   and name HB2 ))
      4.500     2.500     1.500 peak   882 spectrum    1 weight  0.10000E+01 volume  0.16333E-02 ppm1      6.601 ppm2      1.610 CV     1
 OR {  882}
   (( segid "BBBB" and resid 45   and name HE22))
   (( segid "BBBB" and resid 41   and name HB2 ))
 ASSI {  895}
   (( segid "BBBB" and resid 74   and name HN  ))
   (( segid "BBBB" and resid 71   and name HG  ))
      3.700     1.700     1.700 peak   895 spectrum    1 weight  0.10000E+01 volume  0.14600E-02 ppm1      8.912 ppm2      1.446 CV     1
 OR {  895}
   (( segid "AAAA" and resid 74   and name HN  ))
   (( segid "AAAA" and resid 71   and name HG  ))
 ASSI {  899}
   (( segid "AAAA" and resid 45   and name HE21))
   (( segid "BBBB" and resid 8    and name HG2 ))
      2.900     2.900     3.100 peak   899 spectrum    1 weight  0.10000E+01 volume  0.56371E-02 ppm1      7.627 ppm2      2.239 CV     1
 OR {  899}
   (( segid "BBBB" and resid 45   and name HE21))
   (( segid "AAAA" and resid 8    and name HG2 ))
 ASSI {  900}
   (( segid "AAAA" and resid 45   and name HE22))
   (( segid "BBBB" and resid 8    and name HG2 ))
      2.700     2.700     3.300 peak   900 spectrum    1 weight  0.10000E+01 volume  0.28894E-02 ppm1      6.601 ppm2      2.239 CV     1
 OR {  900}
   (( segid "BBBB" and resid 45   and name HE22))
   (( segid "AAAA" and resid 8    and name HG2 ))
 ASSI {  913}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 45   and name HA  ))
      2.700     0.900     0.900 peak   913 spectrum    1 weight  0.10000E+01 volume  0.34780E-02 ppm1      8.303 ppm2      4.646 CV     1
 OR {  913}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 45   and name HA  ))
 ASSI {  946}
   (( segid "AAAA" and resid 45   and name HE22))
   (( segid "AAAA" and resid 48   and name HB2 ))
      5.400     1.400     1.400 peak   946 spectrum    1 weight  0.10000E+01 volume  0.17087E-02 ppm1      6.567 ppm2      2.731 CV     1
 OR {  946}
   (( segid "BBBB" and resid 45   and name HE22))
   (( segid "BBBB" and resid 48   and name HB2 ))
 ASSI {  971}
   (( segid "AAAA" and resid 67   and name HN  ))
   (( segid "AAAA" and resid 68   and name HN  ))
      2.700     0.900     0.900 peak   971 spectrum    1 weight  0.10000E+01 volume  0.45317E-02 ppm1      7.777 ppm2      8.365 CV     1
 OR {  971}
   (( segid "BBBB" and resid 67   and name HN  ))
   (( segid "BBBB" and resid 68   and name HN  ))
 ASSI {  976}
   (( segid "BBBB" and resid 55   and name HN  ))
   (( segid "BBBB" and resid 55   and name HB2 ))
      2.200     0.600     0.600 peak   976 spectrum    1 weight  0.10000E+01 volume  0.10712E-01 ppm1      7.955 ppm2      3.743 CV     1
 OR {  976}
   (( segid "AAAA" and resid 55   and name HN  ))
   (( segid "AAAA" and resid 55   and name HB2 ))
 OR {  976}
   (( segid "AAAA" and resid 55   and name HN  ))
   (( segid "AAAA" and resid 54   and name HA2 ))
 ASSI {  977}
   (( segid "AAAA" and resid 67   and name HN  ))
   (( segid "AAAA" and resid 69   and name HN  ))
      3.300     1.300     1.300 peak   977 spectrum    1 weight  0.10000E+01 volume  0.18434E-02 ppm1      7.763 ppm2     10.361 CV     1
 OR {  977}
   (( segid "BBBB" and resid 67   and name HN  ))
   (( segid "BBBB" and resid 69   and name HN  ))
 ASSI {  978}
   (( segid "BBBB" and resid 67   and name HN  ))
   (( segid "BBBB" and resid 65   and name HA  ))
      2.400     2.400     3.600 peak   978 spectrum    1 weight  0.10000E+01 volume  0.83512E-02 ppm1      7.784 ppm2      3.907 CV     1
 OR {  978}
   (( segid "AAAA" and resid 67   and name HN  ))
   (( segid "AAAA" and resid 65   and name HA  ))
 ASSI {  979}
   (( segid "BBBB" and resid 67   and name HN  ))
   (( segid "BBBB" and resid 65   and name HB  ))
      3.200     1.300     1.300 peak   979 spectrum    1 weight  0.10000E+01 volume  0.28322E-02 ppm1      7.784 ppm2      2.212 CV     1
 OR {  979}
   (( segid "AAAA" and resid 67   and name HN  ))
   (( segid "AAAA" and resid 65   and name HB  ))
 ASSI {  988}
   (( segid "BBBB" and resid 66   and name HN  ))
   (( segid "BBBB" and resid 66   and name HA  ))
      2.400     0.700     0.700 peak   988 spectrum    1 weight  0.10000E+01 volume  0.87565E-02 ppm1      7.852 ppm2      4.810 CV     1
 OR {  988}
   (( segid "AAAA" and resid 66   and name HN  ))
   (( segid "AAAA" and resid 66   and name HA  ))
 ASSI {  998}
   (( segid "BBBB" and resid 66   and name HN  ))
   (( segid "BBBB" and resid 66   and name HB2 ))
      2.400     0.700     0.700 peak   998 spectrum    1 weight  0.10000E+01 volume  0.42913E-02 ppm1      7.852 ppm2      3.224 CV     1
 OR {  998}
   (( segid "AAAA" and resid 66   and name HN  ))
   (( segid "AAAA" and resid 66   and name HB2 ))
 ASSI {  999}
   (( segid "BBBB" and resid 66   and name HN  ))
   (( segid "BBBB" and resid 64   and name HB2 ))
      2.500     2.500     3.500 peak   999 spectrum    1 weight  0.10000E+01 volume  0.25238E-02 ppm1      7.804 ppm2      2.841 CV     1
 OR {  999}
   (( segid "AAAA" and resid 66   and name HN  ))
   (( segid "AAAA" and resid 64   and name HB2 ))
 ASSI { 1014}
   (( segid "AAAA" and resid 5    and name HN  ))
   (( segid "BBBB" and resid 51   and name HG2 ))
      3.100     3.100     2.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.45200E-02 ppm1      7.907 ppm2      1.337 CV     1
 ASSI { 1031}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 38   and name HB2 ))
      3.800     1.800     1.800 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.14954E-02 ppm1     10.368 ppm2      3.060 CV     1
 OR { 1031}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 38   and name HB2 ))
 ASSI { 1032}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 68   and name HN  ))
      2.200     2.200     3.800 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.10553E-01 ppm1     10.368 ppm2      8.365 CV     1
 OR { 1032}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 68   and name HN  ))
 ASSI { 1033}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 20   and name HB2 ))
      3.100     1.200     1.200 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.67212E-02 ppm1      7.312 ppm2      3.032 CV     1
 OR { 1033}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 20   and name HB2 ))
 ASSI { 1037}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 69   and name HB2 ))
      2.800     1.000     1.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.51630E-02 ppm1     10.375 ppm2      3.962 CV     1
 OR { 1037}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 69   and name HB2 ))
 OR { 1037}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 67   and name HA  ))
 ASSI { 1039}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 20   and name HN  ))
      2.400     0.700     0.700 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.55816E-02 ppm1      7.312 ppm2      6.998 CV     1
 OR { 1039}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 20   and name HN  ))
 OR { 1039}
   (( segid "BBBB" and resid 21   and name HN  ))
   (  segid "BBBB" and resid 23   and name HE% )
 ASSI { 1041}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
      3.200     1.300     1.300 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.33730E-02 ppm1     10.368 ppm2      2.266 CV     1
 OR { 1041}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 OR { 1041}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 67   and name HG2 ))
 ASSI { 1042}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 70   and name HN  ))
      2.300     0.700     0.700 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.85043E-02 ppm1     10.368 ppm2      7.572 CV     1
 OR { 1042}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 70   and name HN  ))
 ASSI { 1043}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 68   and name HA  ))
      2.600     0.900     0.900 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.35313E-02 ppm1     10.368 ppm2      4.810 CV     1
 OR { 1043}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 68   and name HA  ))
 ASSI { 1044}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 67   and name HN  ))
      3.100     1.200     1.200 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.24549E-02 ppm1     10.368 ppm2      7.763 CV     1
 OR { 1044}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 67   and name HN  ))
 ASSI { 1047}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 17   and name HA  ))
      3.400     1.400     1.400 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.25027E-02 ppm1      7.319 ppm2      4.126 CV     1
 OR { 1047}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 17   and name HA  ))
 ASSI { 1048}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 21   and name HB2 ))
      2.200     0.600     0.600 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.61874E-02 ppm1      7.312 ppm2      3.278 CV     1
 OR { 1048}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 21   and name HB2 ))
 ASSI { 1049}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 69   and name HA  ))
      2.700     0.900     0.900 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.27796E-02 ppm1     10.368 ppm2      4.290 CV     1
 OR { 1049}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 69   and name HA  ))
 ASSI { 1050}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
      3.000     3.000     3.000 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.40932E-02 ppm1     10.368 ppm2      3.661 CV     1
 OR { 1050}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 32   and name HB2 ))
 OR { 1050}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 24   and name HA  ))
 ASSI { 1052}
   (( segid "BBBB" and resid 21   and name HN  ))
   (  segid "BBBB" and resid 23   and name HD% )
      3.200     1.300     1.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.27519E-02 ppm1      7.326 ppm2      6.806 CV     1
 OR { 1052}
   (( segid "AAAA" and resid 21   and name HN  ))
   (  segid "AAAA" and resid 23   and name HD% )
 ASSI { 1054}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 19   and name HB  ))
      2.500     2.500     3.500 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.26056E-02 ppm1      7.305 ppm2      5.603 CV     1
 OR { 1054}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 19   and name HB  ))
 ASSI { 1055}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 21   and name HA  ))
      2.400     0.700     0.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.75967E-02 ppm1      7.326 ppm2      3.825 CV     1
 OR { 1055}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 82   and name HA  ))
 OR { 1055}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 82   and name HA  ))
 OR { 1055}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 21   and name HA  ))
 ASSI { 1057}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 17   and name HB  ))
      3.400     1.400     1.400 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.40776E-02 ppm1      7.326 ppm2      2.266 CV     1
 OR { 1057}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 17   and name HB  ))
 OR { 1057}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 OR { 1057}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
 ASSI { 1059}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 78   and name HG2 ))
      4.200     2.200     1.800 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.12929E-02 ppm1     10.361 ppm2      1.501 CV     1
 OR { 1059}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 78   and name HG2 ))
 OR { 1059}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 79   and name HG  ))
 OR { 1059}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 79   and name HG  ))
 ASSI { 1066}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 84   and name HN  ))
      2.300     0.700     0.700 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.67450E-02 ppm1      7.333 ppm2      8.666 CV     1
 OR { 1066}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 84   and name HN  ))
 ASSI { 1090}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 82   and name HB2 ))
      3.300     1.400     1.400 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.35097E-02 ppm1      7.339 ppm2      2.075 CV     1
 OR { 1090}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 82   and name HB2 ))
 OR { 1090}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 8    and name HB2 ))
 OR { 1090}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 37   and name HB2 ))
 OR { 1090}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 37   and name HB2 ))
 OR { 1090}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 70   and name HG2 ))
 ASSI { 1095}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 85   and name HB2 ))
      2.400     0.700     0.700 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.27356E-02 ppm1      7.346 ppm2      1.747 CV     1
 OR { 1095}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 85   and name HB2 ))
 ASSI { 1098}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 83   and name HG  ))
      3.000     3.000     3.000 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.69519E-02 ppm1      7.346 ppm2      1.419 CV     1
 OR { 1098}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 OR { 1098}
   (( segid "AAAA" and resid 85   and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
 OR { 1098}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 80   and name HB  ))
 ASSI { 1114}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 78   and name HN  ))
      3.800     3.800     2.200 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.19748E-02 ppm1      7.579 ppm2      7.271 CV     1
 OR { 1114}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 78   and name HN  ))
 ASSI { 1122}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 68   and name HB2 ))
      3.400     1.400     1.400 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.20775E-02 ppm1      7.592 ppm2      3.114 CV     1
 OR { 1122}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 68   and name HB2 ))
 ASSI { 1123}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      2.300     0.600     0.600 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.72858E-02 ppm1      8.768 ppm2      4.454 CV     1
 OR { 1123}
   (( segid "BBBB" and resid 35   and name HN  ))
   (( segid "BBBB" and resid 35   and name HA  ))
 OR { 1123}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 36   and name HA  ))
 ASSI { 1126}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 70   and name HA  ))
      2.400     0.700     0.700 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.54748E-02 ppm1      7.592 ppm2      4.919 CV     1
 OR { 1126}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 70   and name HA  ))
 ASSI { 1128}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 35   and name HB  ))
      2.500     0.800     0.800 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.10817E-01 ppm1      8.768 ppm2      1.993 CV     1
 OR { 1128}
   (( segid "BBBB" and resid 35   and name HN  ))
   (( segid "BBBB" and resid 35   and name HB  ))
 ASSI { 1129}
   (( segid "BBBB" and resid 35   and name HN  ))
   (( segid "BBBB" and resid 34   and name HA  ))
      2.200     0.600     0.600 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.73083E-02 ppm1      8.768 ppm2      4.892 CV     1
 OR { 1129}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 34   and name HA  ))
 ASSI { 1130}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 37   and name HN  ))
      3.600     3.600     2.400 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.53215E-02 ppm1      9.773 ppm2      8.529 CV     1
 OR { 1130}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 37   and name HN  ))
 ASSI { 1131}
   (( segid "BBBB" and resid 35   and name HN  ))
   (( segid "BBBB" and resid 34   and name HB2 ))
      3.200     1.300     1.300 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.62244E-02 ppm1      8.768 ppm2      3.442 CV     1
 OR { 1131}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 34   and name HB2 ))
 ASSI { 1132}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 68   and name HN  ))
      3.100     3.100     2.900 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.42499E-02 ppm1      7.599 ppm2      8.365 CV     1
 OR { 1132}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 68   and name HN  ))
 ASSI { 1144}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 79   and name HG  ))
      3.100     3.100     2.900 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.66962E-02 ppm1      7.592 ppm2      1.501 CV     1
 OR { 1144}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 79   and name HG  ))
 OR { 1144}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 78   and name HG2 ))
 OR { 1144}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 78   and name HG2 ))
 ASSI { 1150}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 25   and name HA1 ))
      3.100     3.100     2.900 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.38207E-02 ppm1      9.767 ppm2      4.126 CV     1
 OR { 1150}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 25   and name HA1 ))
 ASSI { 1153}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
      2.500     2.500     3.500 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.90909E-02 ppm1      7.592 ppm2      3.661 CV     1
 OR { 1153}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 32   and name HB2 ))
 OR { 1153}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 24   and name HA  ))
 OR { 1153}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 24   and name HA  ))
 ASSI { 1163}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 27   and name HG2 ))
      3.400     1.400     1.400 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.39739E-02 ppm1      9.780 ppm2      2.184 CV     1
 OR { 1163}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 27   and name HG2 ))
 ASSI { 1166}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 69   and name HA  ))
      3.000     1.100     1.100 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.18271E-02 ppm1      7.586 ppm2      4.290 CV     1
 OR { 1166}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 69   and name HA  ))
 ASSI { 1167}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 25   and name HN  ))
      3.300     1.300     1.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.27174E-02 ppm1      9.787 ppm2      7.435 CV     1
 OR { 1167}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 25   and name HN  ))
 ASSI { 1168}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 26   and name HB2 ))
      3.100     1.200     1.200 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.77686E-02 ppm1      9.787 ppm2      2.020 CV     1
 OR { 1168}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 26   and name HB2 ))
 ASSI { 1183}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 27   and name HB2 ))
      3.600     1.600     1.600 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.48747E-03 ppm1      9.780 ppm2      1.774 CV     1
 OR { 1183}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 27   and name HB2 ))
 ASSI { 1191}
   (( segid "BBBB" and resid 48   and name HN  ))
   (( segid "BBBB" and resid 48   and name HA  ))
      2.500     0.800     0.800 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.64966E-02 ppm1      9.746 ppm2      4.482 CV     1
 OR { 1191}
   (( segid "AAAA" and resid 48   and name HN  ))
   (( segid "AAAA" and resid 48   and name HA  ))
 ASSI { 1193}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 33   and name HN  ))
      4.000     2.000     2.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.15857E-02 ppm1      9.794 ppm2      9.158 CV     1
 OR { 1193}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 33   and name HN  ))
 ASSI { 1198}
   (( segid "BBBB" and resid 44   and name HN  ))
   (( segid "BBBB" and resid 46   and name HN  ))
      2.800     1.000     1.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.43090E-02 ppm1      8.440 ppm2      7.271 CV     1
 OR { 1198}
   (( segid "AAAA" and resid 44   and name HN  ))
   (( segid "AAAA" and resid 46   and name HN  ))
 ASSI { 1199}
   (( segid "AAAA" and resid 44   and name HN  ))
   (( segid "AAAA" and resid 44   and name HA  ))
      2.500     0.800     0.800 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.66562E-02 ppm1      8.447 ppm2      4.263 CV     1
 OR { 1199}
   (( segid "BBBB" and resid 44   and name HN  ))
   (( segid "BBBB" and resid 44   and name HA  ))
 OR { 1199}
   (( segid "AAAA" and resid 44   and name HN  ))
   (( segid "AAAA" and resid 41   and name HA  ))
 ASSI { 1202}
   (( segid "AAAA" and resid 80   and name HN  ))
   (( segid "BBBB" and resid 87   and name HB  ))
      3.700     1.700     1.700 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.14805E-02 ppm1      7.517 ppm2      1.938 CV     1
 OR { 1202}
   (( segid "BBBB" and resid 80   and name HN  ))
   (( segid "AAAA" and resid 87   and name HB  ))
 OR { 1202}
   (( segid "AAAA" and resid 80   and name HN  ))
   (( segid "AAAA" and resid 78   and name HB2 ))
 ASSI { 1203}
   (( segid "BBBB" and resid 48   and name HN  ))
   (( segid "BBBB" and resid 48   and name HB2 ))
      3.200     1.300     1.300 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.61016E-02 ppm1      9.753 ppm2      3.306 CV     1
 OR { 1203}
   (( segid "AAAA" and resid 48   and name HN  ))
   (( segid "AAAA" and resid 48   and name HB2 ))
 ASSI { 1204}
   (( segid "BBBB" and resid 48   and name HN  ))
   (( segid "BBBB" and resid 50   and name HN  ))
      3.300     3.300     2.700 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.35412E-02 ppm1      9.746 ppm2      7.763 CV     1
 OR { 1204}
   (( segid "AAAA" and resid 48   and name HN  ))
   (( segid "AAAA" and resid 50   and name HN  ))
 ASSI { 1212}
   (( segid "BBBB" and resid 80   and name HN  ))
   (( segid "BBBB" and resid 79   and name HN  ))
      2.400     0.700     0.700 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.42994E-02 ppm1      7.497 ppm2      6.888 CV     1
 OR { 1212}
   (( segid "AAAA" and resid 80   and name HN  ))
   (( segid "AAAA" and resid 79   and name HN  ))
 ASSI { 1219}
   (( segid "AAAA" and resid 80   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
      2.800     1.000     1.000 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.25735E-02 ppm1      7.510 ppm2      3.224 CV     1
 OR { 1219}
   (( segid "BBBB" and resid 80   and name HN  ))
   (( segid "BBBB" and resid 80   and name HA  ))
 ASSI { 1221}
   (( segid "BBBB" and resid 80   and name HN  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
      3.200     1.300     1.300 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.27125E-02 ppm1      7.490 ppm2      2.294 CV     1
 OR { 1221}
   (( segid "AAAA" and resid 80   and name HN  ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 ASSI { 1269}
   (( segid "AAAA" and resid 50   and name HN  ))
   (( segid "AAAA" and resid 51   and name HN  ))
      2.900     2.900     3.100 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.68710E-02 ppm1      7.777 ppm2      7.107 CV     1
 OR { 1269}
   (( segid "BBBB" and resid 50   and name HN  ))
   (( segid "BBBB" and resid 51   and name HN  ))
 ASSI { 1285}
   (( segid "BBBB" and resid 23   and name HN  ))
   (( segid "BBBB" and resid 22   and name HN  ))
      2.500     0.800     0.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.40992E-02 ppm1      7.428 ppm2      8.720 CV     1
 OR { 1285}
   (( segid "AAAA" and resid 23   and name HN  ))
   (( segid "AAAA" and resid 22   and name HN  ))
 ASSI { 1291}
   (( segid "AAAA" and resid 23   and name HN  ))
   (( segid "AAAA" and resid 24   and name HN  ))
      2.400     0.700     0.700 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.43672E-02 ppm1      7.421 ppm2      8.447 CV     1
 OR { 1291}
   (( segid "BBBB" and resid 23   and name HN  ))
   (( segid "BBBB" and resid 24   and name HN  ))
 ASSI { 1293}
   (( segid "BBBB" and resid 23   and name HN  ))
   (( segid "BBBB" and resid 23   and name HB2 ))
      3.200     1.300     1.300 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.44751E-02 ppm1      7.428 ppm2      2.731 CV     1
 OR { 1293}
   (( segid "AAAA" and resid 23   and name HN  ))
   (( segid "AAAA" and resid 23   and name HB2 ))
 ASSI { 1295}
   (( segid "BBBB" and resid 23   and name HN  ))
   (( segid "BBBB" and resid 23   and name HA  ))
      2.700     0.900     0.900 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.28097E-02 ppm1      7.421 ppm2      3.962 CV     1
 OR { 1295}
   (( segid "AAAA" and resid 23   and name HN  ))
   (( segid "AAAA" and resid 23   and name HA  ))
 ASSI { 1303}
   (( segid "BBBB" and resid 50   and name HN  ))
   (( segid "BBBB" and resid 49   and name HA  ))
      4.000     2.100     1.100 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.38657E-02 ppm1      7.777 ppm2      4.208 CV     1
 OR { 1303}
   (( segid "AAAA" and resid 50   and name HN  ))
   (( segid "AAAA" and resid 49   and name HA  ))
 ASSI { 1306}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 38   and name HB2 ))
      2.700     0.900     0.900 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.70257E-02 ppm1      8.413 ppm2      3.060 CV     1
 OR { 1306}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 38   and name HB2 ))
 ASSI { 1307}
   (( segid "BBBB" and resid 23   and name HN  ))
   (( segid "BBBB" and resid 22   and name HB  ))
      3.100     1.200     1.200 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.44591E-02 ppm1      7.428 ppm2      4.290 CV     1
 OR { 1307}
   (( segid "AAAA" and resid 23   and name HN  ))
   (( segid "AAAA" and resid 22   and name HB  ))
 ASSI { 1309}
   (( segid "AAAA" and resid 52   and name HN  ))
   (( segid "AAAA" and resid 51   and name HN  ))
      2.400     0.700     0.700 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.89755E-02 ppm1      8.399 ppm2      7.107 CV     1
 OR { 1309}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 51   and name HN  ))
 OR { 1309}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 36   and name HN  ))
 OR { 1309}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 36   and name HN  ))
 ASSI { 1312}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 42   and name HA  ))
      3.400     3.400     2.600 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.62299E-02 ppm1      8.433 ppm2      3.470 CV     1
 OR { 1312}
   (( segid "AAAA" and resid 52   and name HN  ))
   (( segid "AAAA" and resid 42   and name HA  ))
 OR { 1312}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 46   and name HA  ))
 OR { 1312}
   (( segid "AAAA" and resid 52   and name HN  ))
   (( segid "AAAA" and resid 46   and name HA  ))
 ASSI { 1315}
   (( segid "AAAA" and resid 52   and name HN  ))
   (( segid "AAAA" and resid 52   and name HB2 ))
      3.500     1.500     1.500 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.45374E-03 ppm1      8.399 ppm2      2.759 CV     1
 OR { 1315}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 52   and name HB2 ))
 ASSI { 1317}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 39   and name HG2 ))
      2.600     0.800     0.800 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.84920E-02 ppm1      8.399 ppm2      1.309 CV     1
 OR { 1317}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
 ASSI { 1322}
   (( segid "AAAA" and resid 52   and name HN  ))
   (( segid "AAAA" and resid 51   and name HA  ))
      2.300     0.600     0.600 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.63839E-02 ppm1      8.392 ppm2      3.989 CV     1
 OR { 1322}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 51   and name HA  ))
 OR { 1322}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 39   and name HA  ))
 OR { 1322}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 39   and name HA  ))
 OR { 1322}
   (( segid "AAAA" and resid 68   and name HN  ))
   (( segid "AAAA" and resid 67   and name HA  ))
 ASSI { 1323}
   (( segid "AAAA" and resid 93   and name HN  ))
   (( segid "AAAA" and resid 93   and name HB2 ))
      2.400     0.700     0.700 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.45826E-02 ppm1      7.545 ppm2      1.665 CV     1
 OR { 1323}
   (( segid "BBBB" and resid 93   and name HN  ))
   (( segid "BBBB" and resid 93   and name HB2 ))
 ASSI { 1330}
   (( segid "AAAA" and resid 93   and name HN  ))
   (( segid "AAAA" and resid 92   and name HN  ))
      2.100     0.500     0.500 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.10995E-01 ppm1      7.565 ppm2      8.064 CV     1
 OR { 1330}
   (( segid "BBBB" and resid 93   and name HN  ))
   (( segid "BBBB" and resid 92   and name HN  ))
 ASSI { 1331}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 86   and name HB2 ))
      3.600     1.600     1.600 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.40139E-02 ppm1      7.880 ppm2      2.130 CV     1
 OR { 1331}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 86   and name HB2 ))
 ASSI { 1332}
   (( segid "BBBB" and resid 68   and name HN  ))
   (( segid "BBBB" and resid 69   and name HN  ))
      2.800     0.900     0.900 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.30927E-02 ppm1      8.379 ppm2     10.334 CV     1
 OR { 1332}
   (( segid "AAAA" and resid 68   and name HN  ))
   (( segid "AAAA" and resid 69   and name HN  ))
 ASSI { 1333}
   (( segid "BBBB" and resid 24   and name HN  ))
   (( segid "BBBB" and resid 25   and name HN  ))
      2.800     1.000     1.000 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.18282E-02 ppm1      8.488 ppm2      7.435 CV     1
 OR { 1333}
   (( segid "AAAA" and resid 24   and name HN  ))
   (( segid "AAAA" and resid 25   and name HN  ))
 OR { 1333}
   (( segid "AAAA" and resid 24   and name HN  ))
   (( segid "AAAA" and resid 23   and name HN  ))
 OR { 1333}
   (( segid "BBBB" and resid 24   and name HN  ))
   (( segid "BBBB" and resid 23   and name HN  ))
 ASSI { 1335}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 11   and name HN  ))
      2.700     0.900     0.900 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.42491E-02 ppm1      7.880 ppm2      9.240 CV     1
 OR { 1335}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 11   and name HN  ))
 ASSI { 1337}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 9    and name HN  ))
      2.300     0.700     0.700 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.50263E-02 ppm1      7.880 ppm2      8.638 CV     1
 OR { 1337}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 9    and name HN  ))
 ASSI { 1339}
   (( segid "AAAA" and resid 24   and name HN  ))
   (( segid "AAAA" and resid 24   and name HA  ))
      2.200     0.600     0.600 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.65623E-02 ppm1      8.481 ppm2      3.689 CV     1
 OR { 1339}
   (( segid "BBBB" and resid 24   and name HN  ))
   (( segid "BBBB" and resid 24   and name HA  ))
 ASSI { 1341}
   (( segid "AAAA" and resid 68   and name HN  ))
   (( segid "AAAA" and resid 67   and name HN  ))
      2.300     0.700     0.700 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.10825E-01 ppm1      8.385 ppm2      7.763 CV     1
 OR { 1341}
   (( segid "BBBB" and resid 68   and name HN  ))
   (( segid "BBBB" and resid 67   and name HN  ))
 ASSI { 1345}
   (( segid "BBBB" and resid 68   and name HN  ))
   (( segid "BBBB" and resid 32   and name HB2 ))
      2.800     2.800     3.200 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.66438E-02 ppm1      8.385 ppm2      3.661 CV     1
 OR { 1345}
   (( segid "AAAA" and resid 68   and name HN  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
 ASSI { 1351}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 78   and name HB2 ))
      2.200     0.600     0.600 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.53789E-02 ppm1      7.251 ppm2      1.966 CV     1
 OR { 1351}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 78   and name HB2 ))
 ASSI { 1353}
   (( segid "AAAA" and resid 52   and name HN  ))
   (( segid "AAAA" and resid 50   and name HG  ))
      5.400     3.700     1.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.53643E-02 ppm1      8.399 ppm2      1.501 CV     1
 OR { 1353}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 50   and name HG  ))
 ASSI { 1356}
   (( segid "BBBB" and resid 83   and name HN  ))
   (( segid "BBBB" and resid 84   and name HA  ))
      3.300     1.400     1.400 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.27441E-02 ppm1      8.030 ppm2      3.552 CV     1
 OR { 1356}
   (( segid "AAAA" and resid 83   and name HN  ))
   (( segid "AAAA" and resid 84   and name HA  ))
 OR { 1356}
   (( segid "BBBB" and resid 83   and name HN  ))
   (( segid "BBBB" and resid 85   and name HA  ))
 ASSI { 1357}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 10   and name HG2 ))
      2.800     1.000     1.000 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.39121E-02 ppm1      7.886 ppm2      2.403 CV     1
 OR { 1357}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 10   and name HG2 ))
 ASSI { 1358}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 10   and name HA  ))
      2.600     0.800     0.800 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.33294E-02 ppm1      7.886 ppm2      3.689 CV     1
 OR { 1358}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
 ASSI { 1363}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 8    and name HG2 ))
      3.100     3.100     2.900 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.42464E-02 ppm1      7.880 ppm2      2.266 CV     1
 OR { 1363}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 90   and name HG2 ))
 OR { 1363}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 90   and name HG2 ))
 ASSI { 1365}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 77   and name HN  ))
      2.400     0.700     0.700 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.43439E-02 ppm1      7.244 ppm2      9.295 CV     1
 OR { 1365}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 77   and name HN  ))
 ASSI { 1366}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 77   and name HA  ))
      3.000     1.100     1.100 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.16768E-02 ppm1      7.251 ppm2      3.743 CV     1
 OR { 1366}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 77   and name HA  ))
 ASSI { 1370}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 78   and name HG2 ))
      2.100     0.600     0.600 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.45642E-02 ppm1      7.244 ppm2      1.555 CV     1
 OR { 1370}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 78   and name HG2 ))
 ASSI { 1371}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 78   and name HA  ))
      2.300     0.600     0.600 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.10132E-01 ppm1      7.251 ppm2      3.989 CV     1
 OR { 1371}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 78   and name HA  ))
 ASSI { 1373}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 79   and name HN  ))
      2.200     0.600     0.600 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.64882E-02 ppm1      7.251 ppm2      6.888 CV     1
 OR { 1373}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 79   and name HN  ))
 ASSI { 1377}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 75   and name HA  ))
      2.900     1.000     1.000 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.31878E-02 ppm1      7.244 ppm2      4.400 CV     1
 OR { 1377}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 75   and name HA  ))
 ASSI { 1381}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 77   and name HB2 ))
      2.800     1.000     1.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.42448E-02 ppm1      7.251 ppm2      3.032 CV     1
 OR { 1381}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 77   and name HB2 ))
 ASSI { 1384}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 61   and name HN  ))
      2.200     0.600     0.600 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.70822E-02 ppm1      8.242 ppm2      7.162 CV     1
 OR { 1384}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 61   and name HN  ))
 ASSI { 1388}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 94   and name HN  ))
      2.100     0.600     0.600 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.10947E-01 ppm1      7.565 ppm2      7.818 CV     1
 OR { 1388}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 94   and name HN  ))
 ASSI { 1389}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 19   and name HA  ))
      2.900     1.000     1.000 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.40087E-02 ppm1      7.018 ppm2      4.318 CV     1
 OR { 1389}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 19   and name HA  ))
 ASSI { 1394}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 22   and name HN  ))
      3.200     1.300     1.300 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.14802E-02 ppm1      7.025 ppm2      8.720 CV     1
 OR { 1394}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 22   and name HN  ))
 ASSI { 1399}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 60   and name HA  ))
      2.300     0.700     0.700 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.72529E-02 ppm1      8.242 ppm2      3.306 CV     1
 OR { 1399}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 60   and name HA  ))
 ASSI { 1406}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 19   and name HG1 ))
      2.700     0.900     0.900 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.17671E-02 ppm1      7.025 ppm2      1.227 CV     1
 OR { 1406}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 19   and name HG1 ))
 ASSI { 1407}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 21   and name HN  ))
      2.500     0.800     0.800 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.33193E-02 ppm1      7.032 ppm2      7.298 CV     1
 OR { 1407}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 21   and name HN  ))
 ASSI { 1409}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 95   and name HA  ))
      3.400     1.400     1.400 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.83177E-03 ppm1      7.579 ppm2      4.044 CV     1
 OR { 1409}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 95   and name HA  ))
 OR { 1409}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 74   and name HA  ))
 OR { 1409}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 74   and name HA  ))
 OR { 1409}
   (( segid "AAAA" and resid 64   and name HN  ))
   (( segid "AAAA" and resid 61   and name HA  ))
 ASSI { 1411}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 97   and name HE2 ))
      3.400     3.400     2.600 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.18399E-02 ppm1      7.572 ppm2      3.142 CV     1
 OR { 1411}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 97   and name HE2 ))
 ASSI { 1417}
   (( segid "BBBB" and resid 83   and name HN  ))
   (( segid "BBBB" and resid 86   and name HN  ))
      3.200     3.200     2.800 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.29040E-02 ppm1      8.050 ppm2      7.271 CV     1
 OR { 1417}
   (( segid "AAAA" and resid 83   and name HN  ))
   (( segid "AAAA" and resid 86   and name HN  ))
 ASSI { 1435}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
      3.000     3.000     3.000 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.61081E-02 ppm1      7.230 ppm2      3.224 CV     1
 OR { 1435}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 80   and name HA  ))
 ASSI { 1436}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 20   and name HA  ))
      2.400     0.700     0.700 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.55496E-02 ppm1      7.025 ppm2      3.442 CV     1
 OR { 1436}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 20   and name HA  ))
 ASSI { 1445}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 21   and name HB2 ))
      2.400     0.700     0.700 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.46858E-02 ppm1      8.748 ppm2      3.278 CV     1
 OR { 1445}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 21   and name HB2 ))
 ASSI { 1447}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 19   and name HB  ))
      2.800     1.000     1.000 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.26112E-02 ppm1      7.025 ppm2      5.603 CV     1
 OR { 1447}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 19   and name HB  ))
 ASSI { 1450}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 15   and name HB  ))
      2.100     0.600     0.600 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.10727E-01 ppm1      8.926 ppm2      4.454 CV     1
 OR { 1450}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 15   and name HB  ))
 ASSI { 1451}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 35   and name HA  ))
      2.500     0.800     0.800 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.45394E-02 ppm1      9.226 ppm2      4.454 CV     1
 OR { 1451}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
 ASSI { 1454}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 37   and name HN  ))
      2.300     0.600     0.600 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.55000E-02 ppm1      9.226 ppm2      8.529 CV     1
 OR { 1454}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 37   and name HN  ))
 ASSI { 1457}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 38   and name HB2 ))
      2.100     0.500     0.500 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.70635E-02 ppm1      9.233 ppm2      3.032 CV     1
 OR { 1457}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 38   and name HB2 ))
 ASSI { 1459}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 14   and name HN  ))
      2.200     0.600     0.600 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.75467E-02 ppm1      8.926 ppm2      8.365 CV     1
 OR { 1459}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 14   and name HN  ))
 ASSI { 1462}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 20   and name HB2 ))
      3.200     3.200     2.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.49910E-02 ppm1      8.748 ppm2      3.060 CV     1
 OR { 1462}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 20   and name HB2 ))
 ASSI { 1466}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 39   and name HN  ))
      2.300     0.700     0.700 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.63827E-02 ppm1      9.226 ppm2      8.420 CV     1
 OR { 1466}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 39   and name HN  ))
 ASSI { 1467}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 16   and name HA  ))
      3.300     1.400     1.400 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.15102E-02 ppm1      7.025 ppm2      3.798 CV     1
 OR { 1467}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 16   and name HA  ))
 ASSI { 1468}
   (( segid "BBBB" and resid 53   and name HN  ))
   (( segid "BBBB" and resid 53   and name HA  ))
      2.300     0.700     0.700 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.65449E-02 ppm1      7.579 ppm2      3.825 CV     1
 OR { 1468}
   (( segid "AAAA" and resid 53   and name HN  ))
   (( segid "AAAA" and resid 53   and name HA  ))
 OR { 1468}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 OR { 1468}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR { 1468}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 ASSI { 1471}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 21   and name HA  ))
      3.500     1.500     1.500 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.54385E-03 ppm1      8.748 ppm2      3.798 CV     1
 OR { 1471}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 21   and name HA  ))
 ASSI { 1472}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 15   and name HA  ))
      2.300     0.700     0.700 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.99739E-02 ppm1      8.926 ppm2      4.126 CV     1
 OR { 1472}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 15   and name HA  ))
 ASSI { 1479}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 17   and name HB  ))
      2.800     2.800     3.200 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.73229E-02 ppm1      8.926 ppm2      2.294 CV     1
 OR { 1479}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 17   and name HB  ))
 ASSI { 1480}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 16   and name HN  ))
      2.300     0.700     0.700 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.68425E-02 ppm1      8.926 ppm2      8.611 CV     1
 OR { 1480}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 16   and name HN  ))
 ASSI { 1481}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 22   and name HB  ))
      3.900     1.900     1.900 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.11769E-02 ppm1      8.748 ppm2      4.290 CV     1
 OR { 1481}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 22   and name HB  ))
 ASSI { 1483}
   (( segid "BBBB" and resid 57   and name HN  ))
   (( segid "BBBB" and resid 58   and name HN  ))
      3.200     1.300     1.300 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.12892E-02 ppm1      8.228 ppm2      7.763 CV     1
 OR { 1483}
   (( segid "AAAA" and resid 57   and name HN  ))
   (( segid "AAAA" and resid 58   and name HN  ))
 OR { 1483}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 58   and name HN  ))
 OR { 1483}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 58   and name HN  ))
 ASSI { 1487}
   (( segid "BBBB" and resid 57   and name HN  ))
   (( segid "BBBB" and resid 57   and name HB2 ))
      3.000     1.100     1.100 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.43677E-02 ppm1      8.228 ppm2      2.485 CV     1
 OR { 1487}
   (( segid "AAAA" and resid 57   and name HN  ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 OR { 1487}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 57   and name HB2 ))
 ASSI { 1493}
   (( segid "BBBB" and resid 38   and name HN  ))
   (  segid "BBBB" and resid 23   and name HE% )
      2.900     1.100     1.100 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.47535E-02 ppm1      9.226 ppm2      6.998 CV     1
 OR { 1493}
   (( segid "AAAA" and resid 38   and name HN  ))
   (  segid "AAAA" and resid 23   and name HE% )
 OR { 1493}
   (( segid "AAAA" and resid 38   and name HN  ))
   (  segid "AAAA" and resid 38   and name HD% )
 OR { 1493}
   (( segid "BBBB" and resid 38   and name HN  ))
   (  segid "BBBB" and resid 38   and name HD% )
 ASSI { 1494}
   (( segid "BBBB" and resid 53   and name HN  ))
   (( segid "BBBB" and resid 46   and name HN  ))
      2.800     2.800     3.200 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.63549E-02 ppm1      7.586 ppm2      7.271 CV     1
 OR { 1494}
   (( segid "AAAA" and resid 53   and name HN  ))
   (( segid "AAAA" and resid 46   and name HN  ))
 ASSI { 1496}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 16   and name HB  ))
      3.800     1.800     1.800 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.22638E-02 ppm1      8.926 ppm2      2.595 CV     1
 OR { 1496}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 16   and name HB  ))
 ASSI { 1497}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 60   and name HG2 ))
      4.500     2.600     1.500 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.66405E-03 ppm1      8.249 ppm2      2.184 CV     1
 OR { 1497}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 60   and name HG2 ))
 ASSI { 1498}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 59   and name HN  ))
      2.300     0.700     0.700 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.49605E-02 ppm1      8.256 ppm2      7.900 CV     1
 OR { 1498}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 59   and name HN  ))
 ASSI { 1500}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
      2.600     0.800     0.800 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.68522E-02 ppm1      8.926 ppm2      1.173 CV     1
 OR { 1500}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 15   and name HG1 ))
 OR { 1500}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
 ASSI { 1505}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
      2.400     0.700     0.700 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.71114E-02 ppm1      8.748 ppm2      0.817 CV     1
 OR { 1505}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 ASSI { 1506}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 34   and name HN  ))
      3.000     3.000     3.000 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.19698E-02 ppm1      9.226 ppm2      9.787 CV     1
 OR { 1506}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 34   and name HN  ))
 ASSI { 1507}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 20   and name HN  ))
      3.200     1.300     1.300 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.20085E-02 ppm1      8.734 ppm2      6.998 CV     1
 OR { 1507}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 20   and name HN  ))
 OR { 1507}
   (( segid "AAAA" and resid 22   and name HN  ))
   (  segid "AAAA" and resid 23   and name HE% )
 OR { 1507}
   (( segid "BBBB" and resid 22   and name HN  ))
   (  segid "BBBB" and resid 23   and name HE% )
 ASSI { 1509}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 35   and name HB  ))
      3.000     1.100     1.100 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.63266E-02 ppm1      9.233 ppm2      2.020 CV     1
 OR { 1509}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 35   and name HB  ))
 OR { 1509}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 39   and name HB2 ))
 OR { 1509}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 39   and name HB2 ))
 ASSI { 1510}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 21   and name HN  ))
      2.200     0.600     0.600 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.87572E-02 ppm1      8.741 ppm2      7.298 CV     1
 OR { 1510}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 21   and name HN  ))
 ASSI { 1511}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 14   and name HB2 ))
      2.400     0.700     0.700 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.61381E-02 ppm1      8.926 ppm2      2.020 CV     1
 OR { 1511}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 14   and name HB2 ))
 ASSI { 1512}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 59   and name HB2 ))
      2.800     1.000     1.000 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.30379E-02 ppm1      8.256 ppm2      1.856 CV     1
 OR { 1512}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 59   and name HB2 ))
 OR { 1512}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 61   and name HB2 ))
 ASSI { 1522}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 13   and name HA  ))
      3.000     1.200     1.200 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.18864E-02 ppm1      8.912 ppm2      3.415 CV     1
 OR { 1522}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 13   and name HA  ))
 ASSI { 1525}
   (( segid "AAAA" and resid 64   and name HN  ))
   (( segid "AAAA" and resid 64   and name HB2 ))
      3.600     1.600     1.600 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.10776E-02 ppm1      7.579 ppm2      2.868 CV     1
 OR { 1525}
   (( segid "BBBB" and resid 64   and name HN  ))
   (( segid "BBBB" and resid 64   and name HB2 ))
 ASSI { 1531}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.81386E-02 ppm1      8.659 ppm2      1.637 CV     1
 OR { 1531}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 9    and name HB2 ))
 ASSI { 1532}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 57   and name HA  ))
      2.900     1.000     1.000 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.30894E-02 ppm1      7.784 ppm2      4.263 CV     1
 OR { 1532}
   (( segid "AAAA" and resid 58   and name HN  ))
   (( segid "AAAA" and resid 57   and name HA  ))
 ASSI { 1533}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 35   and name HN  ))
      3.300     1.400     1.400 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.19971E-02 ppm1      9.226 ppm2      8.720 CV     1
 OR { 1533}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 35   and name HN  ))
 ASSI { 1538}
   (( segid "AAAA" and resid 9    and name HN  ))
   (  segid "AAAA" and resid 7    and name HG2%)
      3.200     1.300     1.300 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.55852E-02 ppm1      8.666 ppm2      1.419 CV     1
 OR { 1538}
   (( segid "BBBB" and resid 9    and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
 ASSI { 1540}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 8    and name HB2 ))
      2.200     0.600     0.600 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.60063E-02 ppm1      8.659 ppm2      2.048 CV     1
 OR { 1540}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 8    and name HB2 ))
 ASSI { 1543}
   (( segid "AAAA" and resid 95   and name HN  ))
   (  segid "AAAA" and resid 95   and name HG2%)
      2.500     0.800     0.800 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.70039E-02 ppm1      7.579 ppm2      0.817 CV     1
 OR { 1543}
   (( segid "BBBB" and resid 95   and name HN  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI { 1548}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 7    and name HB  ))
      2.600     0.800     0.800 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.39042E-02 ppm1      8.666 ppm2      4.892 CV     1
 OR { 1548}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 7    and name HB  ))
 ASSI { 1550}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 8    and name HN  ))
      2.600     0.800     0.800 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.33152E-02 ppm1      8.666 ppm2      9.623 CV     1
 OR { 1550}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 8    and name HN  ))
 ASSI { 1554}
   (( segid "AAAA" and resid 95   and name HN  ))
   (  segid "BBBB" and resid 76   and name HD% )
      3.400     1.400     1.400 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.19639E-02 ppm1      7.579 ppm2      6.916 CV     1
 ASSI { 1557}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 7    and name HA  ))
      3.100     1.200     1.200 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.27582E-02 ppm1      8.666 ppm2      4.454 CV     1
 OR { 1557}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 7    and name HA  ))
 ASSI { 1558}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 8    and name HG2 ))
      5.200     3.400     0.800 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.21289E-03 ppm1      8.666 ppm2      2.266 CV     1
 OR { 1558}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 8    and name HG2 ))
 ASSI { 1563}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 17   and name HN  ))
      2.300     2.300     3.700 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.41282E-02 ppm1      8.727 ppm2      8.228 CV     1
 OR { 1563}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 17   and name HN  ))
 ASSI { 1566}
   (( segid "AAAA" and resid 58   and name HN  ))
   (( segid "AAAA" and resid 58   and name HG2 ))
      5.200     4.300     1.000 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.76469E-02 ppm1      7.784 ppm2      2.266 CV     1
 OR { 1566}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 ASSI { 1571}
   (( segid "AAAA" and resid 95   and name HN  ))
   (  segid "BBBB" and resid 73   and name HD% )
      3.900     1.900     1.900 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.12377E-02 ppm1      7.586 ppm2      6.560 CV     1
 OR { 1571}
   (( segid "BBBB" and resid 95   and name HN  ))
   (  segid "AAAA" and resid 73   and name HD% )
 OR { 1571}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 77   and name HZ3 ))
 ASSI { 1574}
   (( segid "AAAA" and resid 58   and name HN  ))
   (( segid "AAAA" and resid 58   and name HB2 ))
      3.400     1.400     1.400 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.70762E-03 ppm1      7.784 ppm2      2.020 CV     1
 OR { 1574}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 58   and name HB2 ))
 ASSI { 1580}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 57   and name HN  ))
      2.600     0.800     0.800 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.44023E-02 ppm1      7.784 ppm2      8.201 CV     1
 OR { 1580}
   (( segid "AAAA" and resid 58   and name HN  ))
   (( segid "AAAA" and resid 57   and name HN  ))
 ASSI { 1581}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 10   and name HN  ))
      2.200     0.600     0.600 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.67774E-02 ppm1      8.673 ppm2      7.873 CV     1
 OR { 1581}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 10   and name HN  ))
 ASSI { 1583}
   (( segid "AAAA" and resid 53   and name HN  ))
   (( segid "AAAA" and resid 53   and name HB  ))
      2.200     0.600     0.600 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.80632E-02 ppm1      7.586 ppm2      2.048 CV     1
 OR { 1583}
   (( segid "BBBB" and resid 53   and name HN  ))
   (( segid "BBBB" and resid 53   and name HB  ))
 ASSI { 1585}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 9    and name HA  ))
      2.300     0.700     0.700 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.67250E-02 ppm1      8.673 ppm2      4.153 CV     1
 OR { 1585}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 9    and name HA  ))
 OR { 1585}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 ASSI { 1594}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 57   and name HB2 ))
      2.500     0.800     0.800 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.73373E-02 ppm1      7.791 ppm2      2.513 CV     1
 OR { 1594}
   (( segid "AAAA" and resid 58   and name HN  ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 ASSI { 1596}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 9    and name HN  ))
      2.400     0.700     0.700 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.49720E-02 ppm1      9.664 ppm2      8.638 CV     1
 OR { 1596}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 9    and name HN  ))
 ASSI { 1599}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 8    and name HG2 ))
      1.900     0.500     0.500 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.93846E-02 ppm1      9.664 ppm2      2.239 CV     1
 OR { 1599}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 8    and name HG2 ))
 ASSI { 1602}
   (( segid "AAAA" and resid 8    and name HN  ))
   (  segid "AAAA" and resid 7    and name HG2%)
      2.600     0.800     0.800 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.66969E-02 ppm1      9.671 ppm2      1.419 CV     1
 OR { 1602}
   (( segid "BBBB" and resid 8    and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
 ASSI { 1603}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 7    and name HA  ))
      2.800     1.000     1.000 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.17514E-02 ppm1      9.664 ppm2      4.454 CV     1
 OR { 1603}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 7    and name HA  ))
 ASSI { 1605}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 10   and name HG2 ))
      2.500     2.500     3.500 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.71664E-02 ppm1      9.664 ppm2      2.431 CV     1
 OR { 1605}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 10   and name HG2 ))
 OR { 1605}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 44   and name HG2 ))
 ASSI { 1608}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 8    and name HB2 ))
      2.200     0.600     0.600 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.75096E-02 ppm1      9.664 ppm2      2.048 CV     1
 OR { 1608}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 8    and name HB2 ))
 ASSI { 1610}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 8    and name HA  ))
      2.200     0.600     0.600 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.87015E-02 ppm1      9.671 ppm2      4.099 CV     1
 OR { 1610}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 ASSI { 1613}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 7    and name HB  ))
      1.900     0.400     0.400 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.98220E-02 ppm1      9.664 ppm2      4.892 CV     1
 OR { 1613}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 7    and name HB  ))
 ASSI { 1631}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 10   and name HN  ))
      3.900     1.900     1.900 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.31859E-02 ppm1      7.319 ppm2      7.900 CV     1
 OR { 1631}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 10   and name HN  ))
 ASSI { 1637}
   (( segid "AAAA" and resid 17   and name HN  ))
   (( segid "AAAA" and resid 16   and name HA  ))
      2.600     0.800     0.800 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.51066E-02 ppm1      8.235 ppm2      3.825 CV     1
 OR { 1637}
   (( segid "BBBB" and resid 17   and name HN  ))
   (( segid "BBBB" and resid 16   and name HA  ))
 ASSI { 1643}
   (( segid "AAAA" and resid 17   and name HN  ))
   (( segid "AAAA" and resid 15   and name HN  ))
      3.300     1.400     1.400 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.13264E-02 ppm1      8.221 ppm2      8.912 CV     1
 OR { 1643}
   (( segid "BBBB" and resid 17   and name HN  ))
   (( segid "BBBB" and resid 15   and name HN  ))
 ASSI { 1655}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 88   and name HA  ))
      2.800     2.800     3.200 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.79024E-02 ppm1      7.326 ppm2      4.044 CV     1
 OR { 1655}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 88   and name HA  ))
 OR { 1655}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 89   and name HA  ))
 OR { 1655}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 89   and name HA  ))
 ASSI { 1658}
   (( segid "BBBB" and resid 17   and name HN  ))
   (( segid "BBBB" and resid 16   and name HN  ))
      2.400     0.700     0.700 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.49557E-02 ppm1      8.228 ppm2      8.584 CV     1
 OR { 1658}
   (( segid "AAAA" and resid 17   and name HN  ))
   (( segid "AAAA" and resid 16   and name HN  ))
 ASSI { 1668}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 9    and name HG  ))
      3.800     1.800     1.800 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.18988E-02 ppm1      7.319 ppm2      1.446 CV     1
 OR { 1668}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR { 1668}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 OR { 1668}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 ASSI { 1669}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
      1.800     0.400     0.400 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.11028E-01 ppm1      7.326 ppm2      2.321 CV     1
 OR { 1669}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 ASSI { 1671}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 60   and name HA  ))
      3.100     1.200     1.200 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.27638E-02 ppm1      7.551 ppm2      3.306 CV     1
 OR { 1671}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 60   and name HA  ))
 OR { 1671}
   (( segid "AAAA" and resid 53   and name HN  ))
   (( segid "AAAA" and resid 48   and name HB2 ))
 ASSI { 1672}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 86   and name HB2 ))
      2.700     0.900     0.900 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.28297E-02 ppm1      7.326 ppm2      2.102 CV     1
 OR { 1672}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 86   and name HB2 ))
 ASSI { 1673}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 85   and name HA  ))
      2.500     0.800     0.800 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.43615E-02 ppm1      7.326 ppm2      3.524 CV     1
 OR { 1673}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 85   and name HA  ))
 OR { 1673}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 ASSI { 1674}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 10   and name HN  ))
      3.000     1.100     1.100 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.29036E-02 ppm1      9.664 ppm2      7.873 CV     1
 OR { 1674}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 10   and name HN  ))
 ASSI { 1689}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 83   and name HB2 ))
      2.700     2.700     3.300 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.61745E-02 ppm1      7.326 ppm2      1.774 CV     1
 OR { 1689}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 83   and name HB2 ))
 OR { 1689}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 83   and name HB2 ))
 ASSI { 1697}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 78   and name HB2 ))
      2.300     0.700     0.700 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.50093E-02 ppm1      6.916 ppm2      1.966 CV     1
 OR { 1697}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 78   and name HB2 ))
 ASSI { 1703}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 63   and name HA  ))
      2.300     0.700     0.700 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.95874E-02 ppm1      7.538 ppm2      4.181 CV     1
 OR { 1703}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 63   and name HA  ))
 ASSI { 1711}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 79   and name HB2 ))
      2.500     0.800     0.800 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.44599E-02 ppm1      6.916 ppm2      2.266 CV     1
 OR { 1711}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 79   and name HB2 ))
 OR { 1711}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 ASSI { 1725}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 78   and name HN  ))
      2.500     0.800     0.800 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.31752E-02 ppm1      6.916 ppm2      7.216 CV     1
 OR { 1725}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 78   and name HN  ))
 ASSI { 1726}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 79   and name HG  ))
      2.200     0.600     0.600 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.55253E-02 ppm1      6.916 ppm2      1.528 CV     1
 OR { 1726}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 79   and name HG  ))
 ASSI { 1734}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
      3.300     1.300     1.300 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.26738E-02 ppm1      8.522 ppm2      1.118 CV     1
 OR { 1734}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
 ASSI { 1738}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 43   and name HN  ))
      2.200     0.600     0.600 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.77209E-02 ppm1      8.515 ppm2      7.900 CV     1
 OR { 1738}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 43   and name HN  ))
 OR { 1738}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 40   and name HN  ))
 ASSI { 1739}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 41   and name HN  ))
      2.400     0.700     0.700 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.65911E-02 ppm1      8.515 ppm2      8.146 CV     1
 OR { 1739}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 41   and name HN  ))
 ASSI { 1744}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 10   and name HG2 ))
      3.500     1.500     1.500 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.52572E-02 ppm1      9.274 ppm2      2.431 CV     1
 OR { 1744}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 10   and name HG2 ))
 ASSI { 1752}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 42   and name HA  ))
      2.200     0.600     0.600 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.79329E-02 ppm1      8.515 ppm2      3.470 CV     1
 OR { 1752}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 42   and name HA  ))
 ASSI { 1755}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 9    and name HG  ))
      2.700     0.900     0.900 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.89159E-02 ppm1      9.274 ppm2      1.473 CV     1
 OR { 1755}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 79   and name HG  ))
 OR { 1755}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 79   and name HG  ))
 OR { 1755}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 71   and name HG  ))
 ASSI { 1759}
   (( segid "AAAA" and resid 36   and name HN  ))
   (( segid "AAAA" and resid 37   and name HN  ))
      2.300     0.700     0.700 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.71252E-02 ppm1      7.121 ppm2      8.529 CV     1
 OR { 1759}
   (( segid "BBBB" and resid 36   and name HN  ))
   (( segid "BBBB" and resid 37   and name HN  ))
 ASSI { 1762}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 77   and name HB2 ))
      3.000     1.100     1.100 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.73778E-02 ppm1      9.322 ppm2      3.032 CV     1
 OR { 1762}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 77   and name HB2 ))
 ASSI { 1769}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 9    and name HN  ))
      3.100     1.200     1.200 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.33688E-02 ppm1      9.274 ppm2      8.638 CV     1
 OR { 1769}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 9    and name HN  ))
 ASSI { 1770}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 77   and name HA  ))
      2.400     0.700     0.700 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.63535E-02 ppm1      9.315 ppm2      3.716 CV     1
 OR { 1770}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 77   and name HA  ))
 ASSI { 1771}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 6    and name HB2 ))
      4.100     1.200     1.200 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.86892E-02 ppm1      9.274 ppm2      1.637 CV     1
 ASSI { 1772}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 71   and name HA  ))
      4.100     2.200     1.900 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.11723E-02 ppm1      6.847 ppm2      5.712 CV     1
 OR { 1772}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 71   and name HA  ))
 ASSI { 1775}
   (( segid "BBBB" and resid 51   and name HN  ))
   (( segid "BBBB" and resid 51   and name HA  ))
      2.600     0.900     0.900 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.35832E-02 ppm1      7.134 ppm2      3.989 CV     1
 OR { 1775}
   (( segid "AAAA" and resid 51   and name HN  ))
   (( segid "AAAA" and resid 51   and name HA  ))
 OR { 1775}
   (( segid "BBBB" and resid 36   and name HN  ))
   (( segid "BBBB" and resid 67   and name HA  ))
 ASSI { 1777}
   (( segid "AAAA" and resid 36   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      2.100     2.100     3.900 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.11112E-01 ppm1      7.121 ppm2      4.427 CV     1
 OR { 1777}
   (( segid "BBBB" and resid 36   and name HN  ))
   (( segid "BBBB" and resid 35   and name HA  ))
 ASSI { 1783}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 41   and name HB2 ))
      1.900     0.500     0.500 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.75726E-02 ppm1      8.509 ppm2      1.583 CV     1
 OR { 1783}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 41   and name HB2 ))
 ASSI { 1785}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 11   and name HA  ))
      3.100     1.200     1.200 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.13000E-02 ppm1      9.288 ppm2      4.099 CV     1
 OR { 1785}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 11   and name HA  ))
 OR { 1785}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 8    and name HA  ))
 OR { 1785}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 ASSI { 1787}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 10   and name HN  ))
      3.600     1.600     1.600 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.57810E-03 ppm1      9.274 ppm2      7.900 CV     1
 OR { 1787}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 10   and name HN  ))
 OR { 1787}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 12   and name HN  ))
 ASSI { 1788}
   (( segid "BBBB" and resid 36   and name HN  ))
   (( segid "BBBB" and resid 35   and name HN  ))
      2.200     0.600     0.600 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.52919E-02 ppm1      7.121 ppm2      8.748 CV     1
 OR { 1788}
   (( segid "AAAA" and resid 36   and name HN  ))
   (( segid "AAAA" and resid 35   and name HN  ))
 ASSI { 1791}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 40   and name HG2 ))
      2.800     1.000     1.000 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.12366E-02 ppm1      7.900 ppm2      2.485 CV     1
 OR { 1791}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 40   and name HG2 ))
 ASSI { 1794}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 37   and name HG2 ))
      2.300     0.700     0.700 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.94024E-02 ppm1      8.556 ppm2      2.321 CV     1
 OR { 1794}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 37   and name HG2 ))
 ASSI { 1795}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 77   and name HZ3 ))
      3.900     1.900     1.900 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.11809E-02 ppm1      9.322 ppm2      6.533 CV     1
 OR { 1795}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 77   and name HZ3 ))
 ASSI { 1796}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 37   and name HA  ))
      2.300     0.700     0.700 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.55257E-02 ppm1      8.563 ppm2      4.071 CV     1
 OR { 1796}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 37   and name HA  ))
 ASSI { 1797}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 39   and name HN  ))
      2.300     0.700     0.700 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.60271E-02 ppm1      7.907 ppm2      8.420 CV     1
 OR { 1797}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 39   and name HN  ))
 ASSI { 1800}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 37   and name HB2 ))
      2.100     0.600     0.600 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.71696E-02 ppm1      8.563 ppm2      2.048 CV     1
 OR { 1800}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 37   and name HB2 ))
 OR { 1800}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 26   and name HB2 ))
 ASSI { 1802}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 38   and name HN  ))
      2.400     0.700     0.700 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.36269E-02 ppm1      8.563 ppm2      9.185 CV     1
 OR { 1802}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 38   and name HN  ))
 ASSI { 1804}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 55   and name HA  ))
      2.900     1.000     1.000 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.31039E-02 ppm1      7.914 ppm2      3.989 CV     1
 OR { 1804}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 55   and name HA  ))
 OR { 1804}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 58   and name HA  ))
 OR { 1804}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 58   and name HA  ))
 OR { 1804}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 39   and name HA  ))
 OR { 1804}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 39   and name HA  ))
 ASSI { 1805}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 78   and name HN  ))
      2.300     0.600     0.600 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.68315E-02 ppm1      9.329 ppm2      7.216 CV     1
 OR { 1805}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 78   and name HN  ))
 ASSI { 1809}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 27   and name HN  ))
      3.400     1.400     1.400 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.22630E-02 ppm1      8.577 ppm2      9.787 CV     1
 OR { 1809}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 27   and name HN  ))
 OR { 1809}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 34   and name HN  ))
 ASSI { 1812}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 41   and name HN  ))
      4.000     2.000     2.000 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.23841E-03 ppm1      7.921 ppm2      8.201 CV     1
 OR { 1812}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 41   and name HN  ))
 OR { 1812}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 60   and name HN  ))
 OR { 1812}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 60   and name HN  ))
 ASSI { 1814}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 58   and name HG2 ))
      3.800     1.800     1.800 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.25518E-02 ppm1      7.907 ppm2      2.294 CV     1
 OR { 1814}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 ASSI { 1830}
   (( segid "AAAA" and resid 37   and name HN  ))
   (  segid "AAAA" and resid 20   and name HE% )
      2.900     2.900     3.100 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.74742E-02 ppm1      8.563 ppm2      7.080 CV     1
 OR { 1830}
   (( segid "BBBB" and resid 37   and name HN  ))
   (  segid "BBBB" and resid 20   and name HE% )
 ASSI { 1834}
   (( segid "AAAA" and resid 40   and name HN  ))
   (  segid "AAAA" and resid 20   and name HE% )
      2.600     2.600     3.400 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.77226E-02 ppm1      7.893 ppm2      7.080 CV     1
 OR { 1834}
   (( segid "BBBB" and resid 40   and name HN  ))
   (  segid "BBBB" and resid 20   and name HE% )
 ASSI { 1840}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      2.900     1.000     1.000 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.36973E-02 ppm1      8.563 ppm2      4.427 CV     1
 OR { 1840}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 35   and name HA  ))
 ASSI { 1845}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 35   and name HN  ))
      3.800     1.800     1.800 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.15023E-02 ppm1      8.577 ppm2      8.748 CV     1
 OR { 1845}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 35   and name HN  ))
 ASSI { 1856}
   (( segid "AAAA" and resid 76   and name HN  ))
   (( segid "AAAA" and resid 77   and name HN  ))
      2.400     0.700     0.700 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.34235E-02 ppm1      7.873 ppm2      9.295 CV     1
 OR { 1856}
   (( segid "BBBB" and resid 76   and name HN  ))
   (( segid "BBBB" and resid 77   and name HN  ))
 ASSI { 1879}
   (( segid "AAAA" and resid 92   and name HN  ))
   (( segid "AAAA" and resid 93   and name HN  ))
      4.000     2.000     2.000 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.19588E-03 ppm1      8.071 ppm2      7.517 CV     1
 OR { 1879}
   (( segid "BBBB" and resid 92   and name HN  ))
   (( segid "BBBB" and resid 93   and name HN  ))
 ASSI { 1889}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 83   and name HA  ))
      2.600     0.800     0.800 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.43336E-02 ppm1      8.666 ppm2      3.962 CV     1
 OR { 1889}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 83   and name HA  ))
 ASSI { 1891}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
      2.900     1.100     1.100 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.28559E-02 ppm1      8.666 ppm2      3.798 CV     1
 OR { 1891}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA2 ))
 OR { 1891}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA1 ))
 OR { 1891}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA1 ))
 OR { 1891}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 82   and name HA  ))
 ASSI { 1894}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 85   and name HN  ))
      2.300     0.700     0.700 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.72340E-02 ppm1      8.659 ppm2      7.326 CV     1
 OR { 1894}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 85   and name HN  ))
 ASSI { 1898}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 80   and name HA  ))
      3.300     1.400     1.400 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.19250E-02 ppm1      8.652 ppm2      3.224 CV     1
 OR { 1898}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
 OR { 1898}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
 ASSI { 1899}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 83   and name HN  ))
      2.200     0.600     0.600 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.78518E-02 ppm1      8.659 ppm2      8.037 CV     1
 OR { 1899}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 83   and name HN  ))
 ASSI { 1904}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 87   and name HB  ))
      3.000     3.000     3.000 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.75016E-02 ppm1      8.659 ppm2      1.884 CV     1
 OR { 1904}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 87   and name HB  ))
 ASSI { 1908}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 82   and name HN  ))
      2.900     1.000     1.000 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.24963E-02 ppm1      8.659 ppm2      7.654 CV     1
 OR { 1908}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 82   and name HN  ))
 ASSI { 1944}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 46   and name HG  ))
      2.500     0.800     0.800 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.34655E-02 ppm1      7.319 ppm2      1.419 CV     1
 OR { 1944}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 46   and name HG  ))
 ASSI { 1945}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 46   and name HA  ))
      2.500     0.800     0.800 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.39628E-02 ppm1      7.319 ppm2      3.442 CV     1
 OR { 1945}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 46   and name HA  ))
 ASSI { 1962}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 45   and name HN  ))
      2.200     0.600     0.600 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.65443E-02 ppm1      7.319 ppm2      8.283 CV     1
 OR { 1962}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 45   and name HN  ))
 ASSI { 1968}
   (( segid "AAAA" and resid 41   and name HN  ))
   (( segid "AAAA" and resid 40   and name HN  ))
      2.100     0.600     0.600 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.10573E-01 ppm1      8.180 ppm2      7.900 CV     1
 OR { 1968}
   (( segid "BBBB" and resid 41   and name HN  ))
   (( segid "BBBB" and resid 40   and name HN  ))
 ASSI { 1973}
   (( segid "AAAA" and resid 41   and name HN  ))
   (( segid "AAAA" and resid 40   and name HG2 ))
      3.300     1.300     1.300 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.44320E-02 ppm1      8.174 ppm2      2.485 CV     1
 OR { 1973}
   (( segid "BBBB" and resid 41   and name HN  ))
   (( segid "BBBB" and resid 40   and name HG2 ))
 ASSI { 1983}
   (( segid "BBBB" and resid 41   and name HN  ))
   (( segid "BBBB" and resid 42   and name HN  ))
      2.500     0.800     0.800 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.56540E-02 ppm1      8.174 ppm2      8.474 CV     1
 OR { 1983}
   (( segid "AAAA" and resid 41   and name HN  ))
   (( segid "AAAA" and resid 42   and name HN  ))
 ASSI { 1984}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 87   and name HB  ))
      2.100     0.600     0.600 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.98710E-02 ppm1      7.955 ppm2      1.884 CV     1
 OR { 1984}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 87   and name HB  ))
 ASSI { 1989}
   (( segid "BBBB" and resid 12   and name HN  ))
   (( segid "BBBB" and resid 11   and name HN  ))
      2.300     0.700     0.700 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.66904E-02 ppm1      7.948 ppm2      9.240 CV     1
 OR { 1989}
   (( segid "AAAA" and resid 12   and name HN  ))
   (( segid "AAAA" and resid 11   and name HN  ))
 ASSI { 1994}
   (( segid "BBBB" and resid 41   and name HN  ))
   (( segid "BBBB" and resid 41   and name HB2 ))
      2.100     0.500     0.500 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.94121E-02 ppm1      8.180 ppm2      1.583 CV     1
 OR { 1994}
   (( segid "AAAA" and resid 41   and name HN  ))
   (( segid "AAAA" and resid 41   and name HB2 ))
 ASSI { 2015}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
      4.300     2.400     1.700 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.17759E-02 ppm1      7.955 ppm2      3.743 CV     1
 OR { 2015}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 10   and name HA  ))
 ASSI { 2027}
   (( segid "AAAA" and resid 6    and name HN  ))
   (( segid "AAAA" and resid 7    and name HN  ))
      3.200     1.300     1.300 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.19482E-02 ppm1      8.037 ppm2      8.666 CV     1
 OR { 2027}
   (( segid "BBBB" and resid 6    and name HN  ))
   (( segid "BBBB" and resid 7    and name HN  ))
 ASSI { 2034}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 82   and name HB2 ))
      2.300     0.700     0.700 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.41775E-02 ppm1      7.695 ppm2      2.102 CV     1
 OR { 2034}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 82   and name HB2 ))
 ASSI { 2035}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
      2.200     0.600     0.600 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.73470E-02 ppm1      7.695 ppm2      2.321 CV     1
 OR { 2035}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 ASSI { 2037}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 84   and name HN  ))
      3.100     1.200     1.200 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.16513E-02 ppm1      7.688 ppm2      8.638 CV     1
 OR { 2037}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 84   and name HN  ))
 ASSI { 2039}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 83   and name HN  ))
      2.600     0.800     0.800 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.31731E-02 ppm1      7.695 ppm2      8.064 CV     1
 OR { 2039}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 83   and name HN  ))
 ASSI { 2041}
   (( segid "AAAA" and resid 65   and name HN  ))
   (( segid "AAAA" and resid 64   and name HB2 ))
      3.700     1.700     1.700 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.28539E-02 ppm1      8.057 ppm2      2.841 CV     1
 OR { 2041}
   (( segid "BBBB" and resid 65   and name HN  ))
   (( segid "BBBB" and resid 64   and name HB2 ))
 ASSI { 2046}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
      3.000     1.100     1.100 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.16661E-02 ppm1      7.695 ppm2      3.224 CV     1
 OR { 2046}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 80   and name HA  ))
 ASSI { 2051}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 79   and name HA  ))
      2.600     0.800     0.800 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.52034E-02 ppm1      7.695 ppm2      3.962 CV     1
 OR { 2051}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 79   and name HA  ))
 ASSI { 2053}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 82   and name HA  ))
      3.300     1.300     1.300 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.10656E-02 ppm1      7.695 ppm2      3.798 CV     1
 OR { 2053}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 82   and name HA  ))
 OR { 2053}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA1 ))
 OR { 2053}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA1 ))
 OR { 2053}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
 ASSI { 2065}
   (( segid "BBBB" and resid 65   and name HN  ))
   (( segid "BBBB" and resid 65   and name HB  ))
      3.600     1.700     1.700 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.50745E-03 ppm1      8.057 ppm2      2.239 CV     1
 OR { 2065}
   (( segid "AAAA" and resid 65   and name HN  ))
   (( segid "AAAA" and resid 65   and name HB  ))
 ASSI { 2081}
   (( segid "BBBB" and resid 71   and name HN  ))
   (( segid "BBBB" and resid 79   and name HG  ))
      2.800     1.000     1.000 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.73111E-02 ppm1     10.334 ppm2      1.501 CV     1
 OR { 2081}
   (( segid "AAAA" and resid 71   and name HN  ))
   (( segid "AAAA" and resid 79   and name HG  ))
 OR { 2081}
   (( segid "AAAA" and resid 71   and name HN  ))
   (( segid "AAAA" and resid 71   and name HG  ))
 ASSI { 2089}
   (( segid "AAAA" and resid 71   and name HN  ))
   (( segid "AAAA" and resid 71   and name HA  ))
      2.500     0.800     0.800 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.27997E-02 ppm1     10.334 ppm2      5.712 CV     1
 OR { 2089}
   (( segid "BBBB" and resid 71   and name HN  ))
   (( segid "BBBB" and resid 71   and name HA  ))
 ASSI { 2098}
   (( segid "AAAA" and resid 71   and name HN  ))
   (( segid "AAAA" and resid 33   and name HN  ))
      3.100     1.200     1.200 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.25577E-02 ppm1     10.334 ppm2      9.158 CV     1
 OR { 2098}
   (( segid "BBBB" and resid 71   and name HN  ))
   (( segid "BBBB" and resid 33   and name HN  ))
 ASSI { 2102}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 76   and name HB2 ))
      3.600     1.600     1.600 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.28812E-02 ppm1      7.114 ppm2      2.841 CV     1
 OR { 2102}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 76   and name HB2 ))
 ASSI { 2107}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 75   and name HA  ))
      2.300     0.700     0.700 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.44152E-02 ppm1      7.107 ppm2      4.400 CV     1
 OR { 2107}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 75   and name HA  ))
 ASSI { 2113}
   (( segid "AAAA" and resid 97   and name HN  ))
   (( segid "AAAA" and resid 97   and name HB2 ))
      3.600     1.700     1.700 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.15969E-02 ppm1      8.249 ppm2      1.719 CV     1
 OR { 2113}
   (( segid "BBBB" and resid 97   and name HN  ))
   (( segid "BBBB" and resid 97   and name HB2 ))
 OR { 2113}
   (( segid "AAAA" and resid 97   and name HN  ))
   (( segid "AAAA" and resid 96   and name HB2 ))
 OR { 2113}
   (( segid "BBBB" and resid 97   and name HN  ))
   (( segid "BBBB" and resid 96   and name HB2 ))
 ASSI { 2116}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 76   and name HN  ))
      2.500     0.800     0.800 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.42229E-02 ppm1      7.107 ppm2      7.845 CV     1
 OR { 2116}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 76   and name HN  ))
 ASSI { 2124}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 70   and name HG2 ))
      3.700     1.700     1.700 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.20596E-02 ppm1      9.801 ppm2      0.981 CV     1
 OR { 2124}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 70   and name HG2 ))
 ASSI { 2128}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 95   and name HB  ))
      2.900     2.900     3.100 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.23108E-02 ppm1      7.100 ppm2      1.747 CV     1
 OR { 2128}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 72   and name HG2 ))
 OR { 2128}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 72   and name HG2 ))
 OR { 2128}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 70   and name HB2 ))
 ASSI { 2130}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
      2.600     0.900     0.900 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.44316E-02 ppm1      7.107 ppm2      2.266 CV     1
 OR { 2130}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 ASSI { 2133}
   (( segid "AAAA" and resid 71   and name HN  ))
   (( segid "AAAA" and resid 72   and name HN  ))
      3.400     1.500     1.500 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.14609E-02 ppm1     10.348 ppm2      8.939 CV     1
 OR { 2133}
   (( segid "BBBB" and resid 71   and name HN  ))
   (( segid "BBBB" and resid 72   and name HN  ))
 ASSI { 2137}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 67   and name HG2 ))
      3.100     3.100     2.900 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.62477E-02 ppm1      9.808 ppm2      2.294 CV     1
 OR { 2137}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 67   and name HG2 ))
 ASSI { 2139}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 24   and name HA  ))
      4.100     2.100     1.900 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.26829E-02 ppm1      9.808 ppm2      3.689 CV     1
 OR { 2139}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 24   and name HA  ))
 ASSI { 2142}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 34   and name HB2 ))
      2.700     0.900     0.900 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.17018E-02 ppm1      9.808 ppm2      3.442 CV     1
 OR { 2142}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 34   and name HB2 ))
 ASSI { 2144}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 35   and name HN  ))
      3.700     1.700     1.700 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.13634E-02 ppm1      9.801 ppm2      8.748 CV     1
 OR { 2144}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 35   and name HN  ))
 ASSI { 2147}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 37   and name HN  ))
      3.100     3.100     2.900 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.26038E-02 ppm1      9.794 ppm2      8.529 CV     1
 OR { 2147}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 37   and name HN  ))
 ASSI { 2155}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 33   and name HG  ))
      2.300     0.700     0.700 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.31985E-02 ppm1      9.808 ppm2      1.528 CV     1
 OR { 2155}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 33   and name HG  ))
 ASSI { 2157}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 26   and name HB2 ))
      3.600     1.600     1.600 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.61810E-02 ppm1      9.801 ppm2      2.020 CV     1
 OR { 2157}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 26   and name HB2 ))
 ASSI { 2159}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 77   and name HN  ))
      3.600     1.600     1.600 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.12907E-02 ppm1      7.093 ppm2      9.295 CV     1
 OR { 2159}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 77   and name HN  ))
 ASSI { 2164}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.16913E-02 ppm1      9.808 ppm2      9.185 CV     1
 OR { 2164}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 33   and name HN  ))
 ASSI { 2179}
   (( segid "AAAA" and resid 73   and name HN  ))
   (  segid "AAAA" and resid 73   and name HD% )
      2.400     0.700     0.700 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.25107E-02 ppm1      9.527 ppm2      6.533 CV     1
 OR { 2179}
   (( segid "BBBB" and resid 73   and name HN  ))
   (  segid "BBBB" and resid 73   and name HD% )
 ASSI { 2184}
   (( segid "AAAA" and resid 73   and name HN  ))
   (( segid "AAAA" and resid 72   and name HA  ))
      2.700     0.900     0.900 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.39735E-02 ppm1      9.534 ppm2      4.892 CV     1
 OR { 2184}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 72   and name HA  ))
 ASSI { 2185}
   (( segid "AAAA" and resid 73   and name HN  ))
   (( segid "AAAA" and resid 72   and name HD2 ))
      4.000     2.000     2.000 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.16670E-02 ppm1      9.520 ppm2      3.306 CV     1
 OR { 2185}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 72   and name HD2 ))
 ASSI { 2187}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 93   and name HA  ))
      2.400     2.400     3.600 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.85646E-02 ppm1      8.126 ppm2      4.071 CV     1
 OR { 2187}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 93   and name HA  ))
 ASSI { 2189}
   (( segid "AAAA" and resid 73   and name HN  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
      3.200     1.300     1.300 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.28761E-02 ppm1      9.534 ppm2      2.294 CV     1
 OR { 2189}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 OR { 2189}
   (( segid "AAAA" and resid 73   and name HN  ))
   (( segid "AAAA" and resid 72   and name HB2 ))
 ASSI { 2193}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 97   and name HE2 ))
      3.700     1.700     1.700 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.18058E-02 ppm1      8.132 ppm2      3.142 CV     1
 OR { 2193}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 97   and name HE2 ))
 ASSI { 2194}
   (( segid "AAAA" and resid 96   and name HN  ))
   (  segid "AAAA" and resid 95   and name HG2%)
      2.900     2.900     3.100 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.83028E-02 ppm1      8.126 ppm2      0.817 CV     1
 OR { 2194}
   (( segid "BBBB" and resid 96   and name HN  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI { 2199}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 96   and name HB2 ))
      3.200     1.300     1.300 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.42694E-02 ppm1      8.126 ppm2      1.747 CV     1
 OR { 2199}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 96   and name HB2 ))
 ASSI { 2200}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 73   and name HB2 ))
      2.200     0.600     0.600 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.40932E-02 ppm1      9.534 ppm2      3.005 CV     1
 OR { 2200}
   (( segid "AAAA" and resid 73   and name HN  ))
   (( segid "AAAA" and resid 73   and name HB2 ))
 ASSI { 2205}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 72   and name HN  ))
      2.200     0.600     0.600 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.20878E-02 ppm1      9.527 ppm2      8.912 CV     1
 OR { 2205}
   (( segid "AAAA" and resid 73   and name HN  ))
   (( segid "AAAA" and resid 72   and name HN  ))
 OR { 2205}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 74   and name HN  ))
 ASSI { 2207}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 13   and name HA  ))
      3.100     1.200     1.200 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.22530E-02 ppm1      8.618 ppm2      3.415 CV     1
 OR { 2207}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 13   and name HA  ))
 ASSI { 2212}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 97   and name HG2 ))
      3.700     1.700     1.700 peak  2212 spectrum    1 weight  0.10000E+01 volume  0.16443E-02 ppm1      8.160 ppm2      1.337 CV     1
 OR { 2212}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 97   and name HG2 ))
 ASSI { 2213}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 14   and name HB2 ))
      3.200     3.200     2.800 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.25540E-02 ppm1      8.632 ppm2      2.075 CV     1
 OR { 2213}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 8    and name HB2 ))
 OR { 2213}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 8    and name HB2 ))
 OR { 2213}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 14   and name HB2 ))
 ASSI { 2215}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 15   and name HA  ))
      2.800     1.000     1.000 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.45384E-02 ppm1      8.625 ppm2      4.126 CV     1
 OR { 2215}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 15   and name HA  ))
 OR { 2215}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 17   and name HA  ))
 ASSI { 2219}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 16   and name HA  ))
      2.400     0.700     0.700 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.53288E-02 ppm1      8.625 ppm2      3.798 CV     1
 OR { 2219}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 16   and name HA  ))
 ASSI { 2228}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
      3.500     1.600     1.600 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.45076E-02 ppm1      8.625 ppm2      1.200 CV     1
 OR { 2228}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 15   and name HG1 ))
 ASSI { 2231}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 16   and name HB  ))
      2.100     0.600     0.600 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.86094E-02 ppm1      8.625 ppm2      2.649 CV     1
 OR { 2231}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 16   and name HB  ))
 ASSI { 2244}
   (( segid "AAAA" and resid 2    and name HN  ))
   (( segid "AAAA" and resid 1    and name HG2 ))
      3.700     1.700     1.700 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.25788E-02 ppm1      8.187 ppm2      2.513 CV     1
 ASSI { 2250}
   (( segid "AAAA" and resid 2    and name HN  ))
   (( segid "AAAA" and resid 1    and name HB2 ))
      2.700     2.700     3.300 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.10885E-01 ppm1      8.180 ppm2      1.993 CV     1
 OR { 2250}
   (( segid "BBBB" and resid 2    and name HN  ))
   (( segid "BBBB" and resid 1    and name HB2 ))
 ASSI { 2303}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 71   and name HG  ))
      3.500     1.500     1.500 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.57031E-02 ppm1      9.179 ppm2      1.501 CV     1
 OR { 2303}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 71   and name HG  ))
 ASSI { 2307}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 32   and name HA  ))
      2.200     0.600     0.600 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.54258E-02 ppm1      9.179 ppm2      5.138 CV     1
 OR { 2307}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 32   and name HA  ))
 ASSI { 2311}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 27   and name HG2 ))
      3.300     3.300     2.700 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.25694E-02 ppm1      9.172 ppm2      2.212 CV     1
 OR { 2311}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 27   and name HG2 ))
 OR { 2311}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 79   and name HB2 ))
 ASSI { 2314}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 72   and name HA  ))
      3.300     1.300     1.300 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.20109E-02 ppm1      9.172 ppm2      4.892 CV     1
 OR { 2314}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 72   and name HA  ))
 OR { 2314}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 34   and name HA  ))
 ASSI { 2330}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 33   and name HA  ))
      2.700     0.900     0.900 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.22683E-02 ppm1      9.179 ppm2      5.275 CV     1
 OR { 2330}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 33   and name HA  ))
 ASSI { 2337}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 27   and name HN  ))
      4.100     2.100     1.900 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.13680E-02 ppm1      9.151 ppm2      9.760 CV     1
 OR { 2337}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 27   and name HN  ))
 ASSI { 2443}
   (( segid "AAAA" and resid 98   and name HN  ))
   (( segid "AAAA" and resid 98   and name HA  ))
      2.500     0.800     0.800 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.74696E-02 ppm1      7.880 ppm2      4.071 CV     1
 OR { 2443}
   (( segid "BBBB" and resid 98   and name HN  ))
   (( segid "BBBB" and resid 98   and name HA  ))
 ASSI { 2532}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 78   and name HG2 ))
      2.700     0.900     0.900 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.16785E-02 ppm1     10.245 ppm2      1.555 CV     1
 OR { 2532}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 78   and name HG2 ))
 ASSI { 2544}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 77   and name HN  ))
      3.800     1.800     1.800 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.11176E-02 ppm1     10.245 ppm2      9.322 CV     1
 OR { 2544}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 77   and name HN  ))
 ASSI { 2550}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 77   and name HE3 ))
      3.200     3.200     2.800 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.13375E-02 ppm1     10.245 ppm2      7.654 CV     1
 OR { 2550}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 77   and name HE3 ))
 ASSI { 2552}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 77   and name HD1 ))
      3.200     1.300     1.300 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.13456E-02 ppm1     10.238 ppm2      7.216 CV     1
 OR { 2552}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 77   and name HD1 ))
 OR { 2552}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 78   and name HN  ))
 ASSI { 2563}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 77   and name HA  ))
      2.800     2.800     3.200 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.81567E-02 ppm1     10.238 ppm2      3.771 CV     1
 OR { 2563}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 77   and name HA  ))
 ASSI { 2573}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 78   and name HA  ))
      3.500     1.500     1.500 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.23260E-02 ppm1     10.238 ppm2      3.962 CV     1
 OR { 2573}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 78   and name HA  ))

ASSI {    2}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 10   and name HA  ))
      2.500     2.500     3.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.34654E-01 ppm1      3.561 ppm2      3.685 CV     1
 OR {    2}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 10   and name HA  ))
 OR {    2}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 10   and name HA  ))
 OR {    2}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 10   and name HA  ))
 ASSI {    5}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "AAAA" and resid 86   and name HG2 ))
      1.300     0.200     0.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.88463E-01 ppm1      2.143 ppm2      2.334 CV     1
 OR {    5}
   (( segid "BBBB" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 ASSI {    7}
   (  segid "BBBB" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 3    and name HA  ))
      1.900     0.500     0.500 peak     7 spectrum    1 weight  0.10000E+01 volume  0.32664E-01 ppm1      1.358 ppm2      4.247 CV     1
 OR {    7}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "AAAA" and resid 3    and name HA  ))
 OR {    7}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 41   and name HA  ))
 ASSI {    8}
   (( segid "BBBB" and resid 1    and name HB2 ))
   (( segid "AAAA" and resid 39   and name HA  ))
      1.400     0.300     0.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.64930E-01 ppm1      2.014 ppm2      4.001 CV     1
 OR {    8}
   (( segid "AAAA" and resid 1    and name HB2 ))
   (( segid "BBBB" and resid 39   and name HA  ))
 OR {    8}
   (( segid "BBBB" and resid 58   and name HB2 ))
   (( segid "BBBB" and resid 58   and name HA  ))
 OR {    8}
   (( segid "AAAA" and resid 58   and name HB2 ))
   (( segid "AAAA" and resid 58   and name HA  ))
 OR {    8}
   (( segid "BBBB" and resid 39   and name HB2 ))
   (( segid "BBBB" and resid 39   and name HA  ))
 OR {    8}
   (( segid "AAAA" and resid 39   and name HB2 ))
   (( segid "AAAA" and resid 39   and name HA  ))
 ASSI {    9}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 53   and name HA  ))
      2.300     2.300     3.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.32697E-01 ppm1      1.369 ppm2      3.873 CV     1
 OR {    9}
   (( segid "BBBB" and resid 51   and name HG2 ))
   (( segid "BBBB" and resid 53   and name HA  ))
 OR {    9}
   (( segid "AAAA" and resid 51   and name HG2 ))
   (( segid "AAAA" and resid 53   and name HA  ))
 ASSI {   10}
   (( segid "AAAA" and resid 22   and name HG1 ))
   (( segid "AAAA" and resid 25   and name HA1 ))
      2.100     2.100     3.900 peak    10 spectrum    1 weight  0.10000E+01 volume  0.51146E-01 ppm1      0.807 ppm2      4.171 CV     1
 OR {   10}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (( segid "BBBB" and resid 38   and name HA  ))
 OR {   10}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (( segid "BBBB" and resid 25   and name HA1 ))
 ASSI {   11}
   (( segid "BBBB" and resid 6    and name HG  ))
   (( segid "AAAA" and resid 86   and name HA  ))
      2.100     2.100     3.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.49911E-01 ppm1      1.487 ppm2      4.130 CV     1
 OR {   11}
   (( segid "AAAA" and resid 6    and name HG  ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {   11}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 OR {   11}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 8    and name HA  ))
 OR {   11}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {   11}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {   11}
   (( segid "AAAA" and resid 85   and name HG2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {   11}
   (( segid "BBBB" and resid 85   and name HG2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {   11}
   (( segid "BBBB" and resid 88   and name HB2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
 ASSI {   12}
   (  segid "BBBB" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 95   and name HA  ))
      1.800     0.400     0.400 peak    12 spectrum    1 weight  0.10000E+01 volume  0.31445E-01 ppm1      0.865 ppm2      3.995 CV     1
 OR {   12}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "AAAA" and resid 95   and name HA  ))
 OR {   12}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 74   and name HA  ))
 OR {   12}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 74   and name HB2 ))
 OR {   12}
   (  segid "BBBB" and resid 95   and name HG2%)
   (( segid "AAAA" and resid 74   and name HB2 ))
 ASSI {   13}
   (( segid "AAAA" and resid 40   and name HG2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      2.300     2.300     3.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.21509E-01 ppm1      2.436 ppm2      2.544 CV     1
 OR {   13}
   (( segid "BBBB" and resid 40   and name HG2 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 ASSI {   14}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      2.600     2.600     3.400 peak    14 spectrum    1 weight  0.10000E+01 volume  0.98109E-02 ppm1      1.088 ppm2      1.281 CV     1
 ASSI {   15}
   (( segid "BBBB" and resid 63   and name HG  ))
   (( segid "BBBB" and resid 63   and name HA  ))
      2.200     2.200     3.800 peak    15 spectrum    1 weight  0.10000E+01 volume  0.27120E-01 ppm1      1.170 ppm2      4.194 CV     1
 OR {   15}
   (( segid "AAAA" and resid 63   and name HG  ))
   (( segid "AAAA" and resid 63   and name HA  ))
 ASSI {   17}
   (( segid "BBBB" and resid 62   and name HG1 ))
   (( segid "BBBB" and resid 62   and name HB  ))
      1.500     0.300     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.31461E-01 ppm1      1.252 ppm2      3.984 CV     1
 OR {   17}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (( segid "AAAA" and resid 62   and name HB  ))
 OR {   17}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 55   and name HA  ))
 OR {   17}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 55   and name HA  ))
 OR {   17}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (( segid "AAAA" and resid 58   and name HA  ))
 ASSI {   18}
   (( segid "AAAA" and resid 22   and name HG1 ))
   (( segid "AAAA" and resid 22   and name HA  ))
      2.200     0.600     0.600 peak    18 spectrum    1 weight  0.10000E+01 volume  0.29942E-01 ppm1      0.830 ppm2      3.837 CV     1
 OR {   18}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (( segid "BBBB" and resid 22   and name HA  ))
 OR {   18}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 31   and name HA2 ))
 OR {   18}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (( segid "BBBB" and resid 21   and name HA  ))
 OR {   18}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 31   and name HA1 ))
 OR {   18}
   (( segid "AAAA" and resid 22   and name HG1 ))
   (( segid "AAAA" and resid 21   and name HA  ))
 ASSI {   20}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (  segid "AAAA" and resid 7    and name HG2%)
      6.500     5.600     1.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.24024E-01 ppm1      0.807 ppm2      1.403 CV     1
 OR {   20}
   (( segid "AAAA" and resid 22   and name HG1 ))
   (  segid "BBBB" and resid 7    and name HG2%)
 ASSI {   21}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 5    and name HA  ))
      2.000     0.500     0.500 peak    21 spectrum    1 weight  0.10000E+01 volume  0.28254E-01 ppm1      1.194 ppm2      4.101 CV     1
 OR {   21}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 5    and name HA  ))
 OR {   21}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 59   and name HA  ))
 OR {   21}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {   21}
   (( segid "AAAA" and resid 15   and name HG1 ))
   (( segid "AAAA" and resid 15   and name HA  ))
 OR {   21}
   (( segid "BBBB" and resid 15   and name HG1 ))
   (( segid "BBBB" and resid 15   and name HA  ))
 ASSI {   22}
   (( segid "BBBB" and resid 85   and name HB2 ))
   (( segid "BBBB" and resid 85   and name HE2 ))
      1.400     0.300     0.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.29501E-01 ppm1      1.697 ppm2      3.030 CV     1
 OR {   22}
   (( segid "AAAA" and resid 85   and name HB2 ))
   (( segid "AAAA" and resid 85   and name HE2 ))
 ASSI {   24}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 77   and name HA  ))
      2.700     2.700     3.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.12864E-01 ppm1      3.561 ppm2      3.750 CV     1
 OR {   24}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 77   and name HA  ))
 ASSI {   26}
   (( segid "AAAA" and resid 36   and name HB2 ))
   (( segid "AAAA" and resid 38   and name HB2 ))
      3.100     3.100     2.900 peak    26 spectrum    1 weight  0.10000E+01 volume  0.49365E-02 ppm1      2.905 ppm2      3.036 CV     1
 OR {   26}
   (( segid "BBBB" and resid 36   and name HB2 ))
   (( segid "BBBB" and resid 38   and name HB2 ))
 ASSI {   27}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 61   and name HA  ))
      1.700     0.400     0.500 peak    27 spectrum    1 weight  0.10000E+01 volume  0.48662E-01 ppm1      1.897 ppm2      4.025 CV     1
 OR {   27}
   (( segid "AAAA" and resid 61   and name HB2 ))
   (( segid "AAAA" and resid 61   and name HA  ))
 OR {   27}
   (( segid "AAAA" and resid 61   and name HB2 ))
   (( segid "AAAA" and resid 58   and name HA  ))
 OR {   27}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 58   and name HA  ))
 ASSI {   29}
   (( segid "AAAA" and resid 82   and name HG2 ))
   (( segid "AAAA" and resid 79   and name HA  ))
      1.600     0.300     0.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.32198E-01 ppm1      2.319 ppm2      3.984 CV     1
 OR {   29}
   (( segid "BBBB" and resid 82   and name HG2 ))
   (( segid "BBBB" and resid 79   and name HA  ))
 OR {   29}
   (( segid "AAAA" and resid 90   and name HG2 ))
   (( segid "AAAA" and resid 90   and name HA  ))
 OR {   29}
   (( segid "BBBB" and resid 67   and name HG2 ))
   (( segid "BBBB" and resid 67   and name HA  ))
 OR {   29}
   (( segid "BBBB" and resid 90   and name HG2 ))
   (( segid "BBBB" and resid 90   and name HA  ))
 OR {   29}
   (( segid "AAAA" and resid 67   and name HG2 ))
   (( segid "AAAA" and resid 67   and name HA  ))
 OR {   29}
   (( segid "BBBB" and resid 58   and name HG2 ))
   (( segid "BBBB" and resid 58   and name HA  ))
 ASSI {   30}
   (( segid "AAAA" and resid 97   and name HG2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
      6.400     5.400     1.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.12614E-01 ppm1      1.299 ppm2      1.433 CV     1
 OR {   30}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 46   and name HG  ))
 OR {   30}
   (( segid "AAAA" and resid 39   and name HG2 ))
   (( segid "AAAA" and resid 46   and name HG  ))
 OR {   30}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 61   and name HG2 ))
 ASSI {   31}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (( segid "BBBB" and resid 18   and name HA  ))
      2.400     2.400     3.600 peak    31 spectrum    1 weight  0.10000E+01 volume  0.19130E-01 ppm1      0.842 ppm2      4.107 CV     1
 OR {   31}
   (( segid "AAAA" and resid 22   and name HG1 ))
   (( segid "AAAA" and resid 18   and name HA  ))
 OR {   31}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 76   and name HA  ))
 OR {   31}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "AAAA" and resid 93   and name HA  ))
 OR {   31}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (( segid "BBBB" and resid 37   and name HA  ))
 ASSI {   32}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (( segid "AAAA" and resid 62   and name HA  ))
      1.900     1.900     4.100 peak    32 spectrum    1 weight  0.10000E+01 volume  0.30087E-01 ppm1      1.252 ppm2      4.218 CV     1
 OR {   32}
   (( segid "BBBB" and resid 62   and name HG1 ))
   (( segid "BBBB" and resid 62   and name HA  ))
 OR {   32}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 4    and name HA  ))
 ASSI {   36}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HA  ))
      1.900     1.900     4.100 peak    36 spectrum    1 weight  0.10000E+01 volume  0.24802E-01 ppm1      1.826 ppm2      4.101 CV     1
 OR {   36}
   (( segid "BBBB" and resid 59   and name HB2 ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {   36}
   (( segid "BBBB" and resid 4    and name HB2 ))
   (( segid "BBBB" and resid 5    and name HA  ))
 ASSI {   38}
   (( segid "BBBB" and resid 98   and name HA  ))
   (( segid "BBBB" and resid 97   and name HA  ))
      3.300     1.300     1.300 peak    38 spectrum    1 weight  0.10000E+01 volume  0.23858E-02 ppm1      4.053 ppm2      4.194 CV     1
 OR {   38}
   (( segid "AAAA" and resid 98   and name HA  ))
   (( segid "AAAA" and resid 97   and name HA  ))
 OR {   38}
   (( segid "BBBB" and resid 61   and name HA  ))
   (( segid "BBBB" and resid 62   and name HA  ))
 OR {   38}
   (( segid "AAAA" and resid 61   and name HA  ))
   (( segid "AAAA" and resid 62   and name HA  ))
 OR {   38}
   (( segid "AAAA" and resid 37   and name HA  ))
   (( segid "AAAA" and resid 38   and name HA  ))
 OR {   38}
   (( segid "BBBB" and resid 37   and name HA  ))
   (( segid "BBBB" and resid 38   and name HA  ))
 OR {   38}
   (( segid "BBBB" and resid 95   and name HA  ))
   (( segid "BBBB" and resid 97   and name HA  ))
 ASSI {   39}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 69   and name HA  ))
      2.600     2.600     3.400 peak    39 spectrum    1 weight  0.10000E+01 volume  0.15229E-01 ppm1      1.533 ppm2      4.323 CV     1
 OR {   39}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 69   and name HA  ))
 OR {   39}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {   39}
   (( segid "AAAA" and resid 89   and name HD2 ))
   (( segid "AAAA" and resid 87   and name HA  ))
 OR {   39}
   (( segid "BBBB" and resid 89   and name HD2 ))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {   39}
   (( segid "AAAA" and resid 78   and name HG2 ))
   (( segid "AAAA" and resid 69   and name HA  ))
 OR {   39}
   (( segid "BBBB" and resid 78   and name HG2 ))
   (( segid "BBBB" and resid 69   and name HA  ))
 OR {   39}
   (( segid "AAAA" and resid 88   and name HG2 ))
   (( segid "AAAA" and resid 87   and name HA  ))
 ASSI {   40}
   (( segid "AAAA" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 40   and name HA  ))
      2.500     2.500     3.500 peak    40 spectrum    1 weight  0.10000E+01 volume  0.16374E-01 ppm1      1.018 ppm2      3.902 CV     1
 OR {   40}
   (( segid "BBBB" and resid 41   and name HG  ))
   (( segid "BBBB" and resid 40   and name HA  ))
 ASSI {   41}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (( segid "BBBB" and resid 9    and name HG  ))
      2.000     2.000     4.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.24443E-01 ppm1      1.252 ppm2      1.444 CV     1
 OR {   41}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 46   and name HG  ))
 OR {   41}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (( segid "AAAA" and resid 61   and name HG2 ))
 OR {   41}
   (( segid "BBBB" and resid 62   and name HG1 ))
   (( segid "BBBB" and resid 61   and name HG2 ))
 OR {   41}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (( segid "BBBB" and resid 83   and name HG  ))
 OR {   41}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (( segid "AAAA" and resid 83   and name HG  ))
 ASSI {   42}
   (( segid "AAAA" and resid 22   and name HG1 ))
   (( segid "AAAA" and resid 22   and name HB  ))
      2.100     0.600     0.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.12784E-01 ppm1      0.819 ppm2      4.323 CV     1
 OR {   42}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (( segid "BBBB" and resid 22   and name HB  ))
 ASSI {   46}
   (( segid "BBBB" and resid 89   and name HG2 ))
   (( segid "BBBB" and resid 90   and name HG2 ))
      2.300     0.600     0.600 peak    46 spectrum    1 weight  0.10000E+01 volume  0.22458E-01 ppm1      1.018 ppm2      2.252 CV     1
 OR {   46}
   (( segid "AAAA" and resid 89   and name HG2 ))
   (( segid "AAAA" and resid 90   and name HG2 ))
 ASSI {   49}
   (( segid "AAAA" and resid 4    and name HB2 ))
   (( segid "AAAA" and resid 4    and name HA  ))
      1.700     0.300     0.500 peak    49 spectrum    1 weight  0.10000E+01 volume  0.29676E-01 ppm1      1.779 ppm2      4.229 CV     1
 OR {   49}
   (( segid "BBBB" and resid 4    and name HB2 ))
   (( segid "BBBB" and resid 4    and name HA  ))
 ASSI {   50}
   (( segid "AAAA" and resid 53   and name HB  ))
   (( segid "AAAA" and resid 53   and name HA  ))
      1.900     0.500     0.500 peak    50 spectrum    1 weight  0.10000E+01 volume  0.23492E-01 ppm1      2.096 ppm2      3.849 CV     1
 OR {   50}
   (( segid "BBBB" and resid 53   and name HB  ))
   (( segid "BBBB" and resid 53   and name HA  ))
 OR {   50}
   (( segid "BBBB" and resid 82   and name HB2 ))
   (( segid "BBBB" and resid 82   and name HA  ))
 OR {   50}
   (( segid "AAAA" and resid 82   and name HB2 ))
   (( segid "AAAA" and resid 82   and name HA  ))
 ASSI {   51}
   (( segid "AAAA" and resid 97   and name HB2 ))
   (( segid "AAAA" and resid 97   and name HA  ))
      1.900     0.500     0.500 peak    51 spectrum    1 weight  0.10000E+01 volume  0.25715E-01 ppm1      1.697 ppm2      4.165 CV     1
 OR {   51}
   (( segid "BBBB" and resid 97   and name HB2 ))
   (( segid "BBBB" and resid 97   and name HA  ))
 OR {   51}
   (( segid "AAAA" and resid 9    and name HB2 ))
   (( segid "AAAA" and resid 9    and name HA  ))
 OR {   51}
   (( segid "BBBB" and resid 9    and name HB2 ))
   (( segid "BBBB" and resid 9    and name HA  ))
 ASSI {   52}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
      2.200     2.200     3.800 peak    52 spectrum    1 weight  0.10000E+01 volume  0.26698E-01 ppm1      1.862 ppm2      3.826 CV     1
 OR {   52}
   (( segid "BBBB" and resid 29   and name HB2 ))
   (( segid "BBBB" and resid 25   and name HA2 ))
 OR {   52}
   (( segid "AAAA" and resid 29   and name HB2 ))
   (( segid "AAAA" and resid 25   and name HA2 ))
 OR {   52}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 81   and name HA2 ))
 OR {   52}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 81   and name HA1 ))
 OR {   52}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 43   and name HA  ))
 OR {   52}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 53   and name HA  ))
 OR {   52}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 OR {   52}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {   52}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 82   and name HA  ))
 OR {   52}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 ASSI {   54}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 10   and name HA  ))
      3.500     3.500     2.500 peak    54 spectrum    1 weight  0.10000E+01 volume  0.41066E-02 ppm1      1.135 ppm2      3.691 CV     1
 OR {   54}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 10   and name HA  ))
 OR {   54}
   (( segid "AAAA" and resid 15   and name HG1 ))
   (( segid "BBBB" and resid 10   and name HA  ))
 ASSI {   57}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 78   and name HA  ))
      2.000     2.000     4.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.18917E-01 ppm1      0.748 ppm2      4.007 CV     1
 OR {   57}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 78   and name HA  ))
 ASSI {   58}
   (( segid "AAAA" and resid 47   and name HB2 ))
   (( segid "AAAA" and resid 47   and name HA  ))
      2.300     0.600     0.600 peak    58 spectrum    1 weight  0.10000E+01 volume  0.15640E-01 ppm1      2.072 ppm2      4.124 CV     1
 OR {   58}
   (( segid "BBBB" and resid 47   and name HB2 ))
   (( segid "BBBB" and resid 47   and name HA  ))
 OR {   58}
   (( segid "AAAA" and resid 8    and name HB2 ))
   (( segid "AAAA" and resid 8    and name HA  ))
 OR {   58}
   (( segid "BBBB" and resid 8    and name HB2 ))
   (( segid "BBBB" and resid 8    and name HA  ))
 OR {   58}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 11   and name HA  ))
 ASSI {   60}
   (( segid "AAAA" and resid 96   and name HB2 ))
   (( segid "AAAA" and resid 96   and name HA  ))
      2.000     0.500     0.500 peak    60 spectrum    1 weight  0.10000E+01 volume  0.25228E-01 ppm1      1.721 ppm2      4.247 CV     1
 OR {   60}
   (( segid "BBBB" and resid 96   and name HB2 ))
   (( segid "BBBB" and resid 96   and name HA  ))
 OR {   60}
   (( segid "AAAA" and resid 60   and name HB2 ))
   (( segid "AAAA" and resid 57   and name HA  ))
 ASSI {   62}
   (  segid "BBBB" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 96   and name HG2 ))
      2.900     2.900     3.100 peak    62 spectrum    1 weight  0.10000E+01 volume  0.11908E-01 ppm1      0.830 ppm2      1.550 CV     1
 OR {   62}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "AAAA" and resid 96   and name HG2 ))
 OR {   62}
   (  segid "BBBB" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 97   and name HD2 ))
 OR {   62}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "AAAA" and resid 97   and name HD2 ))
 ASSI {   64}
   (( segid "BBBB" and resid 90   and name HG2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
      2.100     0.600     0.600 peak    64 spectrum    1 weight  0.10000E+01 volume  0.15164E-01 ppm1      2.319 ppm2      4.107 CV     1
 OR {   64}
   (( segid "AAAA" and resid 86   and name HG2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {   64}
   (( segid "BBBB" and resid 86   and name HG2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {   64}
   (( segid "AAAA" and resid 90   and name HG2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {   64}
   (( segid "BBBB" and resid 58   and name HG2 ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {   64}
   (( segid "AAAA" and resid 58   and name HG2 ))
   (( segid "AAAA" and resid 59   and name HA  ))
 OR {   64}
   (( segid "BBBB" and resid 75   and name HB2 ))
   (( segid "BBBB" and resid 76   and name HA  ))
 ASSI {   65}
   (( segid "AAAA" and resid 17   and name HB  ))
   (( segid "AAAA" and resid 17   and name HA  ))
      2.000     0.500     0.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.13403E-01 ppm1      2.283 ppm2      4.130 CV     1
 OR {   65}
   (( segid "BBBB" and resid 17   and name HB  ))
   (( segid "BBBB" and resid 17   and name HA  ))
 OR {   65}
   (( segid "AAAA" and resid 8    and name HG2 ))
   (( segid "AAAA" and resid 8    and name HA  ))
 OR {   65}
   (( segid "BBBB" and resid 8    and name HG2 ))
   (( segid "BBBB" and resid 8    and name HA  ))
 OR {   65}
   (( segid "BBBB" and resid 90   and name HG2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
 ASSI {   68}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 82   and name HA  ))
      3.100     1.200     1.200 peak    68 spectrum    1 weight  0.10000E+01 volume  0.78325E-02 ppm1      3.561 ppm2      3.820 CV     1
 OR {   68}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 82   and name HA  ))
 OR {   68}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
 OR {   68}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 81   and name HA2 ))
 OR {   68}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 81   and name HA1 ))
 OR {   68}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 81   and name HA1 ))
 ASSI {   69}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 83   and name HA  ))
      2.400     0.700     0.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.18393E-01 ppm1      1.498 ppm2      3.960 CV     1
 OR {   69}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 83   and name HA  ))
 OR {   69}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 79   and name HA  ))
 OR {   69}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 79   and name HA  ))
 OR {   69}
   (( segid "BBBB" and resid 50   and name HG  ))
   (( segid "BBBB" and resid 51   and name HA  ))
 OR {   69}
   (( segid "AAAA" and resid 50   and name HG  ))
   (( segid "AAAA" and resid 51   and name HA  ))
 OR {   69}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 78   and name HA  ))
 ASSI {   70}
   (( segid "BBBB" and resid 71   and name HB2 ))
   (( segid "BBBB" and resid 76   and name HA  ))
      1.800     0.400     0.400 peak    70 spectrum    1 weight  0.10000E+01 volume  0.16565E-01 ppm1      2.131 ppm2      4.095 CV     1
 OR {   70}
   (( segid "AAAA" and resid 71   and name HB2 ))
   (( segid "AAAA" and resid 76   and name HA  ))
 OR {   70}
   (( segid "BBBB" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {   70}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 ASSI {   71}
   (( segid "AAAA" and resid 83   and name HB2 ))
   (( segid "AAAA" and resid 84   and name HA  ))
      2.100     2.100     3.900 peak    71 spectrum    1 weight  0.10000E+01 volume  0.16709E-01 ppm1      1.779 ppm2      3.545 CV     1
 OR {   71}
   (( segid "BBBB" and resid 83   and name HB2 ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {   71}
   (( segid "AAAA" and resid 83   and name HB2 ))
   (( segid "BBBB" and resid 84   and name HA  ))
 ASSI {   72}
   (( segid "AAAA" and resid 4    and name HG2 ))
   (( segid "BBBB" and resid 54   and name HA1 ))
      1.600     0.300     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.23643E-01 ppm1      2.143 ppm2      3.990 CV     1
 OR {   72}
   (( segid "BBBB" and resid 4    and name HG2 ))
   (( segid "AAAA" and resid 54   and name HA1 ))
 OR {   72}
   (( segid "AAAA" and resid 67   and name HB2 ))
   (( segid "AAAA" and resid 67   and name HA  ))
 ASSI {   73}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "AAAA" and resid 1    and name HA  ))
      2.600     2.600     3.400 peak    73 spectrum    1 weight  0.10000E+01 volume  0.10705E-01 ppm1      1.604 ppm2      4.329 CV     1
 OR {   73}
   (( segid "AAAA" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 1    and name HA  ))
 OR {   73}
   (( segid "BBBB" and resid 13   and name HG11))
   (( segid "AAAA" and resid 87   and name HA  ))
 OR {   73}
   (( segid "AAAA" and resid 13   and name HG11))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {   73}
   (( segid "AAAA" and resid 13   and name HG11))
   (( segid "BBBB" and resid 12   and name HA  ))
 ASSI {   74}
   (  segid "AAAA" and resid 35   and name HG2%)
   (( segid "AAAA" and resid 67   and name HA  ))
      2.000     0.500     0.500 peak    74 spectrum    1 weight  0.10000E+01 volume  0.10024E-01 ppm1      1.651 ppm2      3.984 CV     1
 OR {   74}
   (  segid "BBBB" and resid 35   and name HG2%)
   (( segid "BBBB" and resid 67   and name HA  ))
 OR {   74}
   (( segid "AAAA" and resid 51   and name HD2 ))
   (( segid "AAAA" and resid 51   and name HA  ))
 OR {   74}
   (( segid "BBBB" and resid 51   and name HD2 ))
   (( segid "BBBB" and resid 51   and name HA  ))
 OR {   74}
   (( segid "BBBB" and resid 93   and name HB2 ))
   (( segid "BBBB" and resid 90   and name HA  ))
 ASSI {   75}
   (( segid "AAAA" and resid 61   and name HD2 ))
   (( segid "AAAA" and resid 61   and name HA  ))
      2.000     0.500     0.500 peak    75 spectrum    1 weight  0.10000E+01 volume  0.15340E-01 ppm1      1.686 ppm2      4.013 CV     1
 OR {   75}
   (( segid "BBBB" and resid 61   and name HD2 ))
   (( segid "BBBB" and resid 61   and name HA  ))
 OR {   75}
   (( segid "BBBB" and resid 89   and name HB2 ))
   (( segid "BBBB" and resid 89   and name HA  ))
 OR {   75}
   (( segid "AAAA" and resid 89   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HA  ))
 OR {   75}
   (( segid "AAAA" and resid 98   and name HB2 ))
   (( segid "AAAA" and resid 98   and name HA  ))
 OR {   75}
   (( segid "BBBB" and resid 98   and name HB2 ))
   (( segid "BBBB" and resid 98   and name HA  ))
 OR {   75}
   (( segid "BBBB" and resid 93   and name HB2 ))
   (( segid "BBBB" and resid 90   and name HA  ))
 OR {   75}
   (( segid "AAAA" and resid 93   and name HB2 ))
   (( segid "AAAA" and resid 90   and name HA  ))
 ASSI {   78}
   (( segid "AAAA" and resid 66   and name HB2 ))
   (( segid "AAAA" and resid 69   and name HB2 ))
      2.800     1.000     1.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.12123E-01 ppm1      3.244 ppm2      3.978 CV     1
 OR {   78}
   (( segid "BBBB" and resid 66   and name HB2 ))
   (( segid "BBBB" and resid 69   and name HB2 ))
 OR {   78}
   (( segid "BBBB" and resid 26   and name HD2 ))
   (( segid "BBBB" and resid 26   and name HA  ))
 OR {   78}
   (( segid "AAAA" and resid 26   and name HD2 ))
   (( segid "AAAA" and resid 26   and name HA  ))
 OR {   78}
   (( segid "BBBB" and resid 66   and name HB2 ))
   (( segid "BBBB" and resid 67   and name HA  ))
 ASSI {   79}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 88   and name HG2 ))
      2.100     2.100     3.900 peak    79 spectrum    1 weight  0.10000E+01 volume  0.15210E-01 ppm1      0.760 ppm2      1.544 CV     1
 OR {   79}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 79   and name HG  ))
 OR {   79}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 88   and name HG2 ))
 OR {   79}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 78   and name HG2 ))
 ASSI {   82}
   (( segid "AAAA" and resid 41   and name HG  ))
   (  segid "BBBB" and resid 7    and name HG2%)
      2.500     2.500     3.500 peak    82 spectrum    1 weight  0.10000E+01 volume  0.25082E-01 ppm1      0.983 ppm2      1.368 CV     1
 OR {   82}
   (( segid "BBBB" and resid 41   and name HG  ))
   (  segid "AAAA" and resid 7    and name HG2%)
 ASSI {   85}
   (( segid "AAAA" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      2.200     2.200     3.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.13917E-01 ppm1      0.983 ppm2      1.286 CV     1
 ASSI {   88}
   (( segid "AAAA" and resid 89   and name HG2 ))
   (( segid "AAAA" and resid 85   and name HA  ))
      2.000     2.000     4.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.12750E-01 ppm1      0.994 ppm2      3.557 CV     1
 OR {   88}
   (( segid "BBBB" and resid 89   and name HG2 ))
   (( segid "BBBB" and resid 85   and name HA  ))
 ASSI {   90}
   (( segid "AAAA" and resid 4    and name HG2 ))
   (( segid "AAAA" and resid 4    and name HA  ))
      2.500     0.800     0.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.13893E-01 ppm1      2.190 ppm2      4.276 CV     1
 OR {   90}
   (( segid "BBBB" and resid 4    and name HG2 ))
   (( segid "BBBB" and resid 4    and name HA  ))
 OR {   90}
   (( segid "AAAA" and resid 60   and name HG2 ))
   (( segid "AAAA" and resid 57   and name HA  ))
 OR {   90}
   (( segid "BBBB" and resid 60   and name HG2 ))
   (( segid "BBBB" and resid 57   and name HA  ))
 OR {   90}
   (( segid "BBBB" and resid 40   and name HB2 ))
   (( segid "BBBB" and resid 41   and name HA  ))
 ASSI {   91}
   (  segid "BBBB" and resid 21   and name HD% )
   (  segid "BBBB" and resid 21   and name HE% )
      2.100     0.500     0.500 peak    91 spectrum    1 weight  0.10000E+01 volume  0.10311E-01 ppm1      6.702 ppm2      7.102 CV     1
 OR {   91}
   (  segid "AAAA" and resid 76   and name HE% )
   (  segid "AAAA" and resid 21   and name HE% )
 OR {   91}
   (  segid "AAAA" and resid 21   and name HD% )
   (  segid "AAAA" and resid 21   and name HE% )
 OR {   91}
   (  segid "BBBB" and resid 76   and name HE% )
   (  segid "BBBB" and resid 21   and name HE% )
 ASSI {   98}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 87   and name HA  ))
      2.200     0.600     0.600 peak    98 spectrum    1 weight  0.10000E+01 volume  0.11206E-01 ppm1      1.920 ppm2      4.270 CV     1
 OR {   98}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 87   and name HA  ))
 ASSI {   99}
   (( segid "AAAA" and resid 88   and name HG2 ))
   (( segid "AAAA" and resid 88   and name HA  ))
      2.100     0.500     0.500 peak    99 spectrum    1 weight  0.10000E+01 volume  0.15201E-01 ppm1      1.580 ppm2      4.001 CV     1
 OR {   99}
   (( segid "BBBB" and resid 88   and name HG2 ))
   (( segid "BBBB" and resid 88   and name HA  ))
 OR {   99}
   (( segid "AAAA" and resid 98   and name HD2 ))
   (( segid "AAAA" and resid 98   and name HA  ))
 OR {   99}
   (( segid "BBBB" and resid 98   and name HD2 ))
   (( segid "BBBB" and resid 98   and name HA  ))
 OR {   99}
   (( segid "BBBB" and resid 89   and name HD2 ))
   (( segid "BBBB" and resid 90   and name HA  ))
 OR {   99}
   (( segid "AAAA" and resid 89   and name HD2 ))
   (( segid "AAAA" and resid 90   and name HA  ))
 ASSI {  102}
   (  segid "AAAA" and resid 73   and name HD% )
   (  segid "AAAA" and resid 73   and name HE% )
      2.100     0.600     0.600 peak   102 spectrum    1 weight  0.10000E+01 volume  0.90330E-02 ppm1      6.573 ppm2      7.102 CV     1
 OR {  102}
   (  segid "BBBB" and resid 73   and name HD% )
   (  segid "BBBB" and resid 73   and name HE% )
 OR {  102}
   (  segid "AAAA" and resid 20   and name HD% )
   (  segid "AAAA" and resid 20   and name HE% )
 OR {  102}
   (  segid "BBBB" and resid 20   and name HD% )
   (  segid "BBBB" and resid 20   and name HE% )
 ASSI {  105}
   (( segid "AAAA" and resid 95   and name HB  ))
   (( segid "AAAA" and resid 95   and name HA  ))
      2.200     0.600     0.600 peak   105 spectrum    1 weight  0.10000E+01 volume  0.97865E-02 ppm1      1.791 ppm2      4.031 CV     1
 OR {  105}
   (( segid "BBBB" and resid 95   and name HB  ))
   (( segid "BBBB" and resid 95   and name HA  ))
 OR {  105}
   (( segid "BBBB" and resid 95   and name HB  ))
   (( segid "BBBB" and resid 98   and name HA  ))
 ASSI {  106}
   (( segid "BBBB" and resid 30   and name HB2 ))
   (( segid "BBBB" and resid 30   and name HA  ))
      2.500     0.800     0.800 peak   106 spectrum    1 weight  0.10000E+01 volume  0.93506E-02 ppm1      1.885 ppm2      4.405 CV     1
 OR {  106}
   (( segid "AAAA" and resid 30   and name HB2 ))
   (( segid "AAAA" and resid 30   and name HA  ))
 ASSI {  107}
   (( segid "AAAA" and resid 43   and name HA  ))
   (( segid "AAAA" and resid 43   and name HB  ))
      2.300     0.700     0.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.70815E-02 ppm1      3.772 ppm2      4.036 CV     1
 OR {  107}
   (( segid "BBBB" and resid 43   and name HA  ))
   (( segid "BBBB" and resid 43   and name HB  ))
 OR {  107}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 88   and name HA  ))
 OR {  107}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 88   and name HA  ))
 OR {  107}
   (( segid "BBBB" and resid 94   and name HA1 ))
   (( segid "AAAA" and resid 74   and name HA  ))
 ASSI {  108}
   (( segid "BBBB" and resid 14   and name HG2 ))
   (( segid "BBBB" and resid 11   and name HA  ))
      3.000     1.100     1.100 peak   108 spectrum    1 weight  0.10000E+01 volume  0.89239E-02 ppm1      2.436 ppm2      4.124 CV     1
 OR {  108}
   (( segid "AAAA" and resid 14   and name HG2 ))
   (( segid "AAAA" and resid 11   and name HA  ))
 OR {  108}
   (( segid "BBBB" and resid 10   and name HG2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {  108}
   (( segid "AAAA" and resid 10   and name HG2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {  108}
   (( segid "AAAA" and resid 10   and name HG2 ))
   (( segid "AAAA" and resid 8    and name HA  ))
 ASSI {  109}
   (( segid "AAAA" and resid 45   and name HG2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      3.000     3.000     3.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.68370E-02 ppm1      2.295 ppm2      2.515 CV     1
 OR {  109}
   (( segid "BBBB" and resid 58   and name HG2 ))
   (( segid "BBBB" and resid 57   and name HB2 ))
 OR {  109}
   (( segid "AAAA" and resid 58   and name HG2 ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 ASSI {  113}
   (( segid "AAAA" and resid 35   and name HB  ))
   (( segid "AAAA" and resid 67   and name HB2 ))
      2.900     2.900     3.100 peak   113 spectrum    1 weight  0.10000E+01 volume  0.10527E-01 ppm1      2.037 ppm2      2.176 CV     1
 OR {  113}
   (( segid "BBBB" and resid 35   and name HB  ))
   (( segid "BBBB" and resid 67   and name HB2 ))
 OR {  113}
   (( segid "BBBB" and resid 53   and name HB  ))
   (( segid "AAAA" and resid 4    and name HG2 ))
 OR {  113}
   (( segid "AAAA" and resid 53   and name HB  ))
   (( segid "BBBB" and resid 4    and name HG2 ))
 OR {  113}
   (( segid "BBBB" and resid 26   and name HB2 ))
   (( segid "BBBB" and resid 27   and name HG2 ))
 OR {  113}
   (( segid "AAAA" and resid 26   and name HB2 ))
   (( segid "AAAA" and resid 27   and name HG2 ))
 OR {  113}
   (( segid "AAAA" and resid 58   and name HB2 ))
   (( segid "BBBB" and resid 4    and name HG2 ))
 ASSI {  114}
   (( segid "BBBB" and resid 37   and name HB2 ))
   (( segid "BBBB" and resid 40   and name HB2 ))
      2.700     2.700     3.300 peak   114 spectrum    1 weight  0.10000E+01 volume  0.11627E-01 ppm1      2.049 ppm2      2.187 CV     1
 OR {  114}
   (( segid "AAAA" and resid 37   and name HB2 ))
   (( segid "AAAA" and resid 40   and name HB2 ))
 OR {  114}
   (( segid "BBBB" and resid 53   and name HB  ))
   (( segid "AAAA" and resid 4    and name HG2 ))
 OR {  114}
   (( segid "AAAA" and resid 53   and name HB  ))
   (( segid "BBBB" and resid 4    and name HG2 ))
 OR {  114}
   (( segid "BBBB" and resid 26   and name HB2 ))
   (( segid "BBBB" and resid 27   and name HG2 ))
 OR {  114}
   (( segid "AAAA" and resid 26   and name HB2 ))
   (( segid "AAAA" and resid 27   and name HG2 ))
 ASSI {  115}
   (( segid "AAAA" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 38   and name HA  ))
      1.800     0.400     0.400 peak   115 spectrum    1 weight  0.10000E+01 volume  0.17078E-01 ppm1      0.983 ppm2      4.183 CV     1
 OR {  115}
   (( segid "BBBB" and resid 41   and name HG  ))
   (( segid "BBBB" and resid 38   and name HA  ))
 ASSI {  116}
   (( segid "BBBB" and resid 57   and name HB2 ))
   (( segid "BBBB" and resid 57   and name HA  ))
      2.400     0.700     0.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.98840E-02 ppm1      2.506 ppm2      4.294 CV     1
 OR {  116}
   (( segid "AAAA" and resid 57   and name HB2 ))
   (( segid "AAAA" and resid 57   and name HA  ))
 ASSI {  117}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 87   and name HA  ))
      3.000     3.000     3.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.69427E-02 ppm1      0.760 ppm2      4.329 CV     1
 ASSI {  119}
   (( segid "BBBB" and resid 26   and name HB2 ))
   (( segid "BBBB" and resid 24   and name HA  ))
   4.800     3.000     1.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.13630E-01 ppm1      2.061 ppm2      3.674 CV     1
 OR {  119}
   (( segid "AAAA" and resid 26   and name HB2 ))
   (( segid "AAAA" and resid 24   and name HA  ))
 ASSI {  120}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 59   and name HA  ))
      3.100     3.100     2.900 peak   120 spectrum    1 weight  0.10000E+01 volume  0.84801E-02 ppm1      2.530 ppm2      4.118 CV     1
 OR {  120}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  120}
   (( segid "BBBB" and resid 57   and name HB2 ))
   (( segid "BBBB" and resid 59   and name HA  ))
 ASSI {  121}
   (( segid "AAAA" and resid 43   and name HA  ))
   (( segid "AAAA" and resid 43   and name HB  ))
      2.600     0.800     0.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.49114E-02 ppm1      3.807 ppm2      4.101 CV     1
 OR {  121}
   (( segid "BBBB" and resid 43   and name HA  ))
   (( segid "BBBB" and resid 43   and name HB  ))
 OR {  121}
   (( segid "BBBB" and resid 21   and name HA  ))
   (( segid "BBBB" and resid 17   and name HA  ))
 OR {  121}
   (( segid "AAAA" and resid 21   and name HA  ))
   (( segid "AAAA" and resid 17   and name HA  ))
 OR {  121}
   (( segid "AAAA" and resid 94   and name HA1 ))
   (( segid "BBBB" and resid 76   and name HA  ))
 OR {  121}
   (( segid "AAAA" and resid 94   and name HA2 ))
   (( segid "BBBB" and resid 76   and name HA  ))
 OR {  121}
   (( segid "AAAA" and resid 16   and name HA  ))
   (( segid "AAAA" and resid 15   and name HA  ))
 ASSI {  122}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 76   and name HB2 ))
      2.900     2.900     3.100 peak   122 spectrum    1 weight  0.10000E+01 volume  0.11101E-01 ppm1      1.721 ppm2      2.814 CV     1
 OR {  122}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 76   and name HB2 ))
 OR {  122}
   (( segid "AAAA" and resid 93   and name HB2 ))
   (( segid "BBBB" and resid 76   and name HB2 ))
 OR {  122}
   (( segid "BBBB" and resid 93   and name HB2 ))
   (( segid "AAAA" and resid 76   and name HB2 ))
 ASSI {  128}
   (( segid "AAAA" and resid 89   and name HG2 ))
   (( segid "BBBB" and resid 6    and name HG  ))
      2.400     2.400     3.600 peak   128 spectrum    1 weight  0.10000E+01 volume  0.15628E-01 ppm1      0.983 ppm2      1.485 CV     1
 OR {  128}
   (( segid "BBBB" and resid 89   and name HG2 ))
   (( segid "AAAA" and resid 6    and name HG  ))
 ASSI {  131}
   (( segid "BBBB" and resid 80   and name HB  ))
   (( segid "BBBB" and resid 79   and name HN  ))
      2.800     1.000     1.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.78060E-02 ppm1      1.428 ppm2      6.857 CV     1
 OR {  131}
   (( segid "AAAA" and resid 80   and name HB  ))
   (( segid "AAAA" and resid 79   and name HN  ))
 ASSI {  134}
   (( segid "AAAA" and resid 30   and name HB2 ))
   (( segid "AAAA" and resid 27   and name HG2 ))
      2.000     2.000     4.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.18847E-01 ppm1      1.862 ppm2      2.199 CV     1
 OR {  134}
   (( segid "BBBB" and resid 30   and name HB2 ))
   (( segid "BBBB" and resid 27   and name HG2 ))
 OR {  134}
   (( segid "AAAA" and resid 61   and name HB2 ))
   (( segid "AAAA" and resid 60   and name HG2 ))
 OR {  134}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 60   and name HG2 ))
 OR {  134}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 65   and name HB  ))
 OR {  134}
   (( segid "AAAA" and resid 61   and name HB2 ))
   (( segid "AAAA" and resid 65   and name HB  ))
 ASSI {  135}
   (  segid "AAAA" and resid 38   and name HD% )
   (  segid "AAAA" and resid 20   and name HE% )
      2.400     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.82446E-02 ppm1      7.006 ppm2      7.114 CV     1
 OR {  135}
   (  segid "BBBB" and resid 38   and name HD% )
   (  segid "BBBB" and resid 20   and name HE% )
 OR {  135}
   (  segid "BBBB" and resid 23   and name HE% )
   (  segid "BBBB" and resid 20   and name HE% )
 OR {  135}
   (  segid "AAAA" and resid 23   and name HE% )
   (  segid "AAAA" and resid 20   and name HE% )
 OR {  135}
   (  segid "AAAA" and resid 23   and name HE% )
   (  segid "AAAA" and resid 21   and name HE% )
 OR {  135}
   (  segid "BBBB" and resid 23   and name HE% )
   (  segid "BBBB" and resid 21   and name HE% )
 ASSI {  136}
   (  segid "BBBB" and resid 23   and name HE% )
   (  segid "BBBB" and resid 20   and name HE% )
      2.500     0.800     0.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.93404E-02 ppm1      6.971 ppm2      7.102 CV     1
 OR {  136}
   (  segid "AAAA" and resid 23   and name HE% )
   (  segid "AAAA" and resid 20   and name HE% )
 OR {  136}
   (  segid "AAAA" and resid 23   and name HE% )
   (  segid "AAAA" and resid 21   and name HE% )
 OR {  136}
   (  segid "BBBB" and resid 23   and name HE% )
   (  segid "BBBB" and resid 21   and name HE% )
 ASSI {  137}
   (( segid "AAAA" and resid 68   and name HB2 ))
   (( segid "AAAA" and resid 78   and name HD2 ))
      2.400     0.700     0.700 peak   137 spectrum    1 weight  0.10000E+01 volume  0.14111E-02 ppm1      3.092 ppm2      3.182 CV     1
 OR {  137}
   (( segid "BBBB" and resid 68   and name HB2 ))
   (( segid "BBBB" and resid 78   and name HD2 ))
 ASSI {  138}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 1    and name HA  ))
      3.100     1.200     1.200 peak   138 spectrum    1 weight  0.10000E+01 volume  0.59807E-02 ppm1      1.112 ppm2      4.311 CV     1
 OR {  138}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "BBBB" and resid 1    and name HA  ))
 OR {  138}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 41   and name HA  ))
 ASSI {  139}
   (  segid "BBBB" and resid 23   and name HD% )
   (  segid "BBBB" and resid 20   and name HE% )
      2.500     0.800     0.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.68316E-02 ppm1      6.854 ppm2      7.079 CV     1
 OR {  139}
   (  segid "AAAA" and resid 23   and name HD% )
   (  segid "AAAA" and resid 20   and name HE% )
 OR {  139}
   (  segid "AAAA" and resid 76   and name HD% )
   (  segid "AAAA" and resid 21   and name HE% )
 OR {  139}
   (  segid "BBBB" and resid 76   and name HD% )
   (  segid "BBBB" and resid 21   and name HE% )
 OR {  139}
   (  segid "BBBB" and resid 76   and name HD% )
   (( segid "BBBB" and resid 75   and name HN  ))
 OR {  139}
   (  segid "AAAA" and resid 76   and name HD% )
   (( segid "AAAA" and resid 75   and name HN  ))
 ASSI {  140}
   (( segid "BBBB" and resid 89   and name HB2 ))
   (( segid "BBBB" and resid 89   and name HA  ))
      2.200     0.600     0.600 peak   140 spectrum    1 weight  0.10000E+01 volume  0.11489E-01 ppm1      1.639 ppm2      4.089 CV     1
 OR {  140}
   (( segid "AAAA" and resid 89   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HA  ))
 OR {  140}
   (( segid "BBBB" and resid 6    and name HB2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {  140}
   (( segid "AAAA" and resid 6    and name HB2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {  140}
   (( segid "BBBB" and resid 89   and name HB2 ))
   (( segid "AAAA" and resid 5    and name HA  ))
 ASSI {  141}
   (( segid "AAAA" and resid 18   and name HB1 ))
   (( segid "AAAA" and resid 18   and name HA  ))
      3.200     1.300     1.300 peak   141 spectrum    1 weight  0.10000E+01 volume  0.14825E-02 ppm1      3.889 ppm2      4.066 CV     1
 OR {  141}
   (( segid "BBBB" and resid 18   and name HB1 ))
   (( segid "BBBB" and resid 18   and name HA  ))
 OR {  141}
   (( segid "AAAA" and resid 18   and name HB2 ))
   (( segid "AAAA" and resid 18   and name HA  ))
 OR {  141}
   (( segid "BBBB" and resid 18   and name HB2 ))
   (( segid "BBBB" and resid 18   and name HA  ))
 ASSI {  142}
   (( segid "BBBB" and resid 98   and name HD2 ))
   (( segid "BBBB" and resid 98   and name HE2 ))
      2.600     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.85808E-02 ppm1      1.604 ppm2      3.176 CV     1
 OR {  142}
   (( segid "AAAA" and resid 98   and name HD2 ))
   (( segid "AAAA" and resid 98   and name HE2 ))
 ASSI {  143}
   (( segid "AAAA" and resid 53   and name HB  ))
   (( segid "AAAA" and resid 53   and name HA  ))
      2.300     0.600     0.600 peak   143 spectrum    1 weight  0.10000E+01 volume  0.84361E-02 ppm1      2.026 ppm2      3.826 CV     1
 OR {  143}
   (( segid "BBBB" and resid 53   and name HB  ))
   (( segid "BBBB" and resid 53   and name HA  ))
 ASSI {  145}
   (  segid "AAAA" and resid 21   and name HD% )
   (  segid "AAAA" and resid 23   and name HD% )
      3.000     1.100     1.100 peak   145 spectrum    1 weight  0.10000E+01 volume  0.69254E-02 ppm1      6.713 ppm2      6.851 CV     1
 OR {  145}
   (  segid "BBBB" and resid 21   and name HD% )
   (  segid "BBBB" and resid 23   and name HD% )
 ASSI {  147}
   (( segid "BBBB" and resid 51   and name HG2 ))
   (( segid "BBBB" and resid 51   and name HA  ))
      2.800     1.000     1.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.91547E-02 ppm1      1.346 ppm2      3.960 CV     1
 OR {  147}
   (( segid "AAAA" and resid 51   and name HG2 ))
   (( segid "AAAA" and resid 51   and name HA  ))
 ASSI {  149}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
      2.800     1.000     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.71492E-02 ppm1      1.522 ppm2      3.832 CV     1
 OR {  149}
   (( segid "BBBB" and resid 85   and name HG2 ))
   (( segid "BBBB" and resid 82   and name HA  ))
 OR {  149}
   (( segid "AAAA" and resid 85   and name HG2 ))
   (( segid "AAAA" and resid 82   and name HA  ))
 OR {  149}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 OR {  149}
   (( segid "AAAA" and resid 96   and name HG2 ))
   (( segid "AAAA" and resid 94   and name HA2 ))
 OR {  149}
   (( segid "BBBB" and resid 96   and name HG2 ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 OR {  149}
   (( segid "AAAA" and resid 96   and name HG2 ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  149}
   (( segid "AAAA" and resid 33   and name HG  ))
   (( segid "AAAA" and resid 21   and name HA  ))
 ASSI {  150}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 76   and name HB2 ))
      2.700     2.700     3.300 peak   150 spectrum    1 weight  0.10000E+01 volume  0.13638E-01 ppm1      1.510 ppm2      2.825 CV     1
 OR {  150}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 76   and name HB2 ))
 ASSI {  156}
   (( segid "AAAA" and resid 33   and name HB2 ))
   (( segid "AAAA" and resid 70   and name HG2 ))
      2.300     0.700     0.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.47927E-02 ppm1      1.990 ppm2      2.117 CV     1
 OR {  156}
   (( segid "BBBB" and resid 33   and name HB2 ))
   (( segid "BBBB" and resid 70   and name HG2 ))
 ASSI {  157}
   (( segid "BBBB" and resid 40   and name HB2 ))
   (( segid "BBBB" and resid 37   and name HG2 ))
      3.700     1.700     1.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.10024E-02 ppm1      2.248 ppm2      2.357 CV     1
 OR {  157}
   (( segid "AAAA" and resid 40   and name HB2 ))
   (( segid "AAAA" and resid 37   and name HG2 ))
 OR {  157}
   (( segid "AAAA" and resid 40   and name HB2 ))
   (( segid "AAAA" and resid 44   and name HB2 ))
 OR {  157}
   (( segid "BBBB" and resid 40   and name HB2 ))
   (( segid "BBBB" and resid 44   and name HB2 ))
 OR {  157}
   (( segid "AAAA" and resid 90   and name HG2 ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 ASSI {  160}
   (( segid "AAAA" and resid 88   and name HG2 ))
   (( segid "AAAA" and resid 84   and name HA  ))
      2.700     2.700     3.300 peak   160 spectrum    1 weight  0.10000E+01 volume  0.96472E-02 ppm1      1.580 ppm2      3.551 CV     1
 OR {  160}
   (( segid "AAAA" and resid 88   and name HG2 ))
   (( segid "AAAA" and resid 85   and name HA  ))
 OR {  160}
   (( segid "BBBB" and resid 88   and name HG2 ))
   (( segid "BBBB" and resid 85   and name HA  ))
 ASSI {  161}
   (( segid "AAAA" and resid 93   and name HG  ))
   (( segid "AAAA" and resid 93   and name HA  ))
      2.200     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.86925E-02 ppm1      1.404 ppm2      4.089 CV     1
 OR {  161}
   (( segid "BBBB" and resid 93   and name HG  ))
   (( segid "BBBB" and resid 93   and name HA  ))
 ASSI {  162}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 79   and name HB2 ))
      2.400     0.700     0.700 peak   162 spectrum    1 weight  0.10000E+01 volume  0.10284E-01 ppm1      1.908 ppm2      2.240 CV     1
 OR {  162}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 79   and name HB2 ))
 OR {  162}
   (( segid "AAAA" and resid 30   and name HB2 ))
   (( segid "AAAA" and resid 27   and name HG2 ))
 OR {  162}
   (( segid "BBBB" and resid 30   and name HB2 ))
   (( segid "BBBB" and resid 27   and name HG2 ))
 ASSI {  163}
   (( segid "AAAA" and resid 61   and name HG2 ))
   (( segid "AAAA" and resid 61   and name HD2 ))
      2.500     0.800     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.35782E-02 ppm1      1.428 ppm2      1.667 CV     1
 OR {  163}
   (( segid "BBBB" and resid 61   and name HG2 ))
   (( segid "BBBB" and resid 61   and name HD2 ))
 OR {  163}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 46   and name HB2 ))
 OR {  163}
   (( segid "BBBB" and resid 46   and name HG  ))
   (( segid "BBBB" and resid 46   and name HB2 ))
 OR {  163}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 9    and name HB2 ))
 OR {  163}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 9    and name HB2 ))
 OR {  163}
   (( segid "AAAA" and resid 93   and name HG  ))
   (( segid "AAAA" and resid 93   and name HB2 ))
 OR {  163}
   (( segid "BBBB" and resid 93   and name HG  ))
   (( segid "BBBB" and resid 93   and name HB2 ))
 ASSI {  164}
   (( segid "AAAA" and resid 88   and name HD2 ))
   (( segid "BBBB" and resid 80   and name HA  ))
      3.700     3.700     2.300 peak   164 spectrum    1 weight  0.10000E+01 volume  0.11131E-02 ppm1      3.115 ppm2      3.235 CV     1
 OR {  164}
   (( segid "AAAA" and resid 68   and name HB2 ))
   (( segid "AAAA" and resid 66   and name HB2 ))
 OR {  164}
   (( segid "BBBB" and resid 68   and name HB2 ))
   (( segid "BBBB" and resid 66   and name HB2 ))
 OR {  164}
   (( segid "AAAA" and resid 68   and name HB2 ))
   (( segid "AAAA" and resid 80   and name HA  ))
 OR {  164}
   (( segid "BBBB" and resid 68   and name HB2 ))
   (( segid "BBBB" and resid 80   and name HA  ))
 OR {  164}
   (( segid "BBBB" and resid 96   and name HD2 ))
   (( segid "BBBB" and resid 98   and name HE2 ))
 OR {  164}
   (( segid "AAAA" and resid 96   and name HD2 ))
   (( segid "AAAA" and resid 98   and name HE2 ))
 ASSI {  165}
   (  segid "AAAA" and resid 35   and name HG2%)
   (( segid "AAAA" and resid 35   and name HA  ))
      2.200     0.600     0.600 peak   165 spectrum    1 weight  0.10000E+01 volume  0.80991E-02 ppm1      1.674 ppm2      4.405 CV     1
 OR {  165}
   (  segid "BBBB" and resid 35   and name HG2%)
   (( segid "BBBB" and resid 35   and name HA  ))
 OR {  165}
   (( segid "BBBB" and resid 6    and name HB2 ))
   (( segid "BBBB" and resid 6    and name HA  ))
 OR {  165}
   (( segid "AAAA" and resid 6    and name HB2 ))
   (( segid "AAAA" and resid 6    and name HA  ))
 ASSI {  168}
   (( segid "AAAA" and resid 58   and name HB2 ))
   (( segid "BBBB" and resid 4    and name HA  ))
      3.200     1.300     1.300 peak   168 spectrum    1 weight  0.10000E+01 volume  0.75256E-02 ppm1      2.026 ppm2      4.235 CV     1
 OR {  168}
   (( segid "BBBB" and resid 58   and name HB2 ))
   (( segid "AAAA" and resid 4    and name HA  ))
 OR {  168}
   (( segid "AAAA" and resid 47   and name HB2 ))
   (( segid "AAAA" and resid 44   and name HA  ))
 OR {  168}
   (( segid "BBBB" and resid 47   and name HB2 ))
   (( segid "BBBB" and resid 44   and name HA  ))
 OR {  168}
   (( segid "AAAA" and resid 47   and name HB1 ))
   (( segid "AAAA" and resid 44   and name HA  ))
 OR {  168}
   (( segid "BBBB" and resid 47   and name HB1 ))
   (( segid "BBBB" and resid 44   and name HA  ))
 ASSI {  169}
   (( segid "AAAA" and resid 97   and name HG2 ))
   (( segid "AAAA" and resid 94   and name HA2 ))
      2.600     2.600     3.400 peak   169 spectrum    1 weight  0.10000E+01 volume  0.71480E-02 ppm1      1.287 ppm2      3.832 CV     1
 OR {  169}
   (( segid "AAAA" and resid 97   and name HG2 ))
   (( segid "BBBB" and resid 31   and name HA2 ))
 OR {  169}
   (( segid "BBBB" and resid 97   and name HG2 ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 OR {  169}
   (( segid "AAAA" and resid 97   and name HG2 ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  169}
   (( segid "AAAA" and resid 97   and name HG2 ))
   (( segid "BBBB" and resid 31   and name HA1 ))
 OR {  169}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 43   and name HA  ))
 ASSI {  170}
   (( segid "BBBB" and resid 95   and name HB  ))
   (( segid "BBBB" and resid 98   and name HE2 ))
      2.500     0.800     0.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.66004E-02 ppm1      1.733 ppm2      3.170 CV     1
 OR {  170}
   (( segid "AAAA" and resid 95   and name HB  ))
   (( segid "AAAA" and resid 98   and name HE2 ))
 OR {  170}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 29   and name HD2 ))
 ASSI {  171}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "BBBB" and resid 2    and name HA  ))
      2.900     1.100     1.100 peak   171 spectrum    1 weight  0.10000E+01 volume  0.56648E-02 ppm1      4.147 ppm2      4.358 CV     1
 OR {  171}
   (( segid "BBBB" and resid 59   and name HA  ))
   (( segid "AAAA" and resid 2    and name HA  ))
 OR {  171}
   (( segid "BBBB" and resid 15   and name HA  ))
   (( segid "AAAA" and resid 12   and name HA  ))
 OR {  171}
   (( segid "AAAA" and resid 15   and name HA  ))
   (( segid "BBBB" and resid 12   and name HA  ))
 OR {  171}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "BBBB" and resid 1    and name HA  ))
 OR {  171}
   (( segid "BBBB" and resid 59   and name HA  ))
   (( segid "AAAA" and resid 1    and name HA  ))
 OR {  171}
   (( segid "AAAA" and resid 63   and name HA  ))
   (( segid "BBBB" and resid 2    and name HA  ))
 OR {  171}
   (( segid "BBBB" and resid 63   and name HA  ))
   (( segid "AAAA" and resid 2    and name HA  ))
 OR {  171}
   (( segid "BBBB" and resid 11   and name HA  ))
   (( segid "BBBB" and resid 12   and name HA  ))
 ASSI {  174}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 43   and name HA  ))
      2.000     0.500     0.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.80245E-02 ppm1      1.440 ppm2      3.820 CV     1
 OR {  174}
   (( segid "BBBB" and resid 46   and name HG  ))
   (( segid "BBBB" and resid 43   and name HA  ))
 OR {  174}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 ASSI {  176}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 51   and name HG2 ))
      3.400     1.500     1.500 peak   176 spectrum    1 weight  0.10000E+01 volume  0.10585E-02 ppm1      1.194 ppm2      1.357 CV     1
 OR {  176}
   (  segid "BBBB" and resid 5    and name HG2%)
   (  segid "BBBB" and resid 7    and name HG2%)
 OR {  176}
   (  segid "AAAA" and resid 5    and name HG2%)
   (  segid "AAAA" and resid 7    and name HG2%)
 OR {  176}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 51   and name HG2 ))
 ASSI {  177}
   (( segid "BBBB" and resid 13   and name HG12))
   (( segid "BBBB" and resid 21   and name HB2 ))
      2.800     1.000     1.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.10955E-01 ppm1      1.779 ppm2      3.317 CV     1
 OR {  177}
   (( segid "AAAA" and resid 13   and name HG12))
   (( segid "AAAA" and resid 21   and name HB2 ))
 OR {  177}
   (( segid "AAAA" and resid 27   and name HB2 ))
   (( segid "AAAA" and resid 72   and name HD2 ))
 OR {  177}
   (( segid "BBBB" and resid 27   and name HB2 ))
   (( segid "BBBB" and resid 72   and name HD2 ))
 OR {  177}
   (( segid "AAAA" and resid 51   and name HB2 ))
   (( segid "AAAA" and resid 48   and name HB2 ))
 OR {  177}
   (( segid "BBBB" and resid 29   and name HG2 ))
   (( segid "BBBB" and resid 72   and name HD2 ))
 OR {  177}
   (( segid "AAAA" and resid 29   and name HG2 ))
   (( segid "AAAA" and resid 72   and name HD2 ))
 OR {  177}
   (( segid "BBBB" and resid 51   and name HB2 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 ASSI {  179}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 82   and name HG2 ))
      2.800     2.800     3.200 peak   179 spectrum    1 weight  0.10000E+01 volume  0.98772E-02 ppm1      0.736 ppm2      2.334 CV     1
 OR {  179}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 82   and name HG2 ))
 ASSI {  182}
   (( segid "BBBB" and resid 35   and name HB  ))
   (( segid "BBBB" and resid 35   and name HA  ))
      2.400     0.700     0.700 peak   182 spectrum    1 weight  0.10000E+01 volume  0.70579E-02 ppm1      1.967 ppm2      4.405 CV     1
 OR {  182}
   (( segid "AAAA" and resid 35   and name HB  ))
   (( segid "AAAA" and resid 35   and name HA  ))
 OR {  182}
   (( segid "AAAA" and resid 10   and name HB2 ))
   (( segid "AAAA" and resid 6    and name HA  ))
 OR {  182}
   (( segid "BBBB" and resid 10   and name HB2 ))
   (( segid "BBBB" and resid 6    and name HA  ))
 ASSI {  183}
   (( segid "BBBB" and resid 6    and name HG  ))
   (( segid "BBBB" and resid 6    and name HA  ))
      2.600     0.800     0.800 peak   183 spectrum    1 weight  0.10000E+01 volume  0.71842E-02 ppm1      1.475 ppm2      4.370 CV     1
 OR {  183}
   (( segid "AAAA" and resid 6    and name HG  ))
   (( segid "AAAA" and resid 6    and name HA  ))
 OR {  183}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 6    and name HA  ))
 OR {  183}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 6    and name HA  ))
 OR {  183}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 75   and name HA  ))
 ASSI {  184}
   (( segid "BBBB" and resid 38   and name HA  ))
   (  segid "BBBB" and resid 20   and name HE% )
      2.600     0.800     0.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.71535E-02 ppm1      4.170 ppm2      7.102 CV     1
 OR {  184}
   (( segid "AAAA" and resid 38   and name HA  ))
   (  segid "AAAA" and resid 20   and name HE% )
 OR {  184}
   (( segid "AAAA" and resid 9    and name HA  ))
   (  segid "BBBB" and resid 21   and name HE% )
 ASSI {  188}
   (( segid "BBBB" and resid 23   and name HB2 ))
   (( segid "BBBB" and resid 23   and name HA  ))
      2.200     0.600     0.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.80132E-02 ppm1      2.752 ppm2      3.978 CV     1
 OR {  188}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (( segid "AAAA" and resid 23   and name HA  ))
 ASSI {  189}
   (( segid "AAAA" and resid 51   and name HB2 ))
   (( segid "AAAA" and resid 51   and name HE2 ))
      3.000     1.100     1.100 peak   189 spectrum    1 weight  0.10000E+01 volume  0.87980E-02 ppm1      1.768 ppm2      3.112 CV     1
 OR {  189}
   (( segid "BBBB" and resid 51   and name HB2 ))
   (( segid "BBBB" and resid 51   and name HE2 ))
 OR {  189}
   (( segid "AAAA" and resid 96   and name HB2 ))
   (( segid "AAAA" and resid 96   and name HD2 ))
 OR {  189}
   (( segid "BBBB" and resid 96   and name HB2 ))
   (( segid "BBBB" and resid 96   and name HD2 ))
 OR {  189}
   (( segid "BBBB" and resid 4    and name HB2 ))
   (( segid "AAAA" and resid 59   and name HD2 ))
 ASSI {  190}
   (( segid "AAAA" and resid 40   and name HG2 ))
   (( segid "AAAA" and resid 40   and name HA  ))
      2.700     0.900     0.900 peak   190 spectrum    1 weight  0.10000E+01 volume  0.55643E-02 ppm1      2.506 ppm2      3.978 CV     1
 OR {  190}
   (( segid "BBBB" and resid 40   and name HG2 ))
   (( segid "BBBB" and resid 40   and name HA  ))
 OR {  190}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 39   and name HA  ))
 OR {  190}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 39   and name HA  ))
 OR {  190}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 40   and name HA  ))
 OR {  190}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 40   and name HA  ))
 ASSI {  193}
   (( segid "BBBB" and resid 29   and name HG2 ))
   (( segid "BBBB" and resid 29   and name HD2 ))
      2.100     0.600     0.600 peak   193 spectrum    1 weight  0.10000E+01 volume  0.73403E-02 ppm1      1.803 ppm2      3.170 CV     1
 OR {  193}
   (( segid "AAAA" and resid 29   and name HG2 ))
   (( segid "AAAA" and resid 29   and name HD2 ))
 ASSI {  195}
   (( segid "AAAA" and resid 41   and name HB2 ))
   (( segid "AAAA" and resid 44   and name HB2 ))
      2.900     2.900     3.100 peak   195 spectrum    1 weight  0.10000E+01 volume  0.10507E-01 ppm1      1.604 ppm2      2.334 CV     1
 OR {  195}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 44   and name HB2 ))
 ASSI {  197}
   (( segid "AAAA" and resid 90   and name HA  ))
   (( segid "AAAA" and resid 87   and name HA  ))
      3.300     1.400     1.400 peak   197 spectrum    1 weight  0.10000E+01 volume  0.31659E-02 ppm1      4.030 ppm2      4.300 CV     1
 OR {  197}
   (( segid "BBBB" and resid 90   and name HA  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {  197}
   (( segid "BBBB" and resid 58   and name HA  ))
   (( segid "BBBB" and resid 57   and name HA  ))
 OR {  197}
   (( segid "AAAA" and resid 58   and name HA  ))
   (( segid "AAAA" and resid 57   and name HA  ))
 OR {  197}
   (( segid "AAAA" and resid 88   and name HA  ))
   (( segid "AAAA" and resid 87   and name HA  ))
 OR {  197}
   (( segid "BBBB" and resid 88   and name HA  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 ASSI {  198}
   (( segid "BBBB" and resid 97   and name HG2 ))
   (( segid "AAAA" and resid 72   and name HB2 ))
      3.200     3.200     2.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.98467E-02 ppm1      1.287 ppm2      2.269 CV     1
 OR {  198}
   (( segid "AAAA" and resid 97   and name HG2 ))
   (( segid "BBBB" and resid 72   and name HB2 ))
 ASSI {  199}
   (( segid "AAAA" and resid 14   and name HB2 ))
   (( segid "AAAA" and resid 12   and name HA  ))
      2.900     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.37932E-02 ppm1      2.061 ppm2      4.393 CV     1
 OR {  199}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 12   and name HA  ))
 OR {  199}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 15   and name HB  ))
 OR {  199}
   (( segid "AAAA" and resid 14   and name HB2 ))
   (( segid "AAAA" and resid 15   and name HB  ))
 OR {  199}
   (( segid "AAAA" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 15   and name HB  ))
 OR {  199}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "AAAA" and resid 15   and name HB  ))
 OR {  199}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "AAAA" and resid 12   and name HA  ))
 OR {  199}
   (( segid "AAAA" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 12   and name HA  ))
 ASSI {  200}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 75   and name HN  ))
      3.000     1.100     1.100 peak   200 spectrum    1 weight  0.10000E+01 volume  0.68008E-02 ppm1      1.440 ppm2      7.085 CV     1
 OR {  200}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 75   and name HN  ))
 OR {  200}
   (( segid "AAAA" and resid 71   and name HG  ))
   (  segid "AAAA" and resid 73   and name HE% )
 OR {  200}
   (( segid "BBBB" and resid 71   and name HG  ))
   (  segid "BBBB" and resid 73   and name HE% )
 OR {  200}
   (( segid "AAAA" and resid 83   and name HG  ))
   (  segid "AAAA" and resid 21   and name HE% )
 OR {  200}
   (( segid "BBBB" and resid 83   and name HG  ))
   (  segid "BBBB" and resid 21   and name HE% )
 ASSI {  202}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 1    and name HA  ))
      2.800     1.000     1.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.57518E-02 ppm1      2.565 ppm2      4.311 CV     1
 OR {  202}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 1    and name HA  ))
 ASSI {  203}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 9    and name HA  ))
      2.700     2.700     3.300 peak   203 spectrum    1 weight  0.10000E+01 volume  0.58135E-02 ppm1      2.119 ppm2      4.206 CV     1
 OR {  203}
   (( segid "BBBB" and resid 86   and name HB2 ))
   (( segid "AAAA" and resid 9    and name HA  ))
 ASSI {  204}
   (( segid "BBBB" and resid 44   and name HB2 ))
   (( segid "BBBB" and resid 44   and name HA  ))
      2.600     0.800     0.800 peak   204 spectrum    1 weight  0.10000E+01 volume  0.49343E-02 ppm1      2.377 ppm2      4.288 CV     1
 OR {  204}
   (( segid "AAAA" and resid 44   and name HB2 ))
   (( segid "AAAA" and resid 44   and name HA  ))
 OR {  204}
   (( segid "AAAA" and resid 44   and name HB2 ))
   (( segid "AAAA" and resid 41   and name HA  ))
 OR {  204}
   (( segid "BBBB" and resid 44   and name HB2 ))
   (( segid "BBBB" and resid 41   and name HA  ))
 OR {  204}
   (( segid "BBBB" and resid 44   and name HG2 ))
   (( segid "BBBB" and resid 44   and name HA  ))
 ASSI {  206}
   (( segid "AAAA" and resid 39   and name HD2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      2.900     1.000     1.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.85389E-02 ppm1      1.721 ppm2      2.521 CV     1
 OR {  206}
   (( segid "AAAA" and resid 60   and name HB2 ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 OR {  206}
   (( segid "BBBB" and resid 60   and name HB2 ))
   (( segid "BBBB" and resid 57   and name HB2 ))
 OR {  206}
   (( segid "BBBB" and resid 39   and name HD2 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 ASSI {  207}
   (( segid "BBBB" and resid 49   and name HB2 ))
   (( segid "BBBB" and resid 49   and name HA  ))
      2.600     0.800     0.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.46340E-02 ppm1      1.580 ppm2      4.224 CV     1
 OR {  207}
   (( segid "AAAA" and resid 49   and name HB2 ))
   (( segid "AAAA" and resid 49   and name HA  ))
 OR {  207}
   (( segid "BBBB" and resid 96   and name HG2 ))
   (( segid "BBBB" and resid 96   and name HA  ))
 OR {  207}
   (( segid "AAAA" and resid 96   and name HG2 ))
   (( segid "AAAA" and resid 96   and name HA  ))
 ASSI {  208}
   (( segid "AAAA" and resid 86   and name HG2 ))
   (( segid "AAAA" and resid 82   and name HA  ))
      3.100     3.100     2.900 peak   208 spectrum    1 weight  0.10000E+01 volume  0.49680E-02 ppm1      2.342 ppm2      3.832 CV     1
 OR {  208}
   (( segid "AAAA" and resid 44   and name HB2 ))
   (( segid "AAAA" and resid 43   and name HA  ))
 OR {  208}
   (( segid "BBBB" and resid 44   and name HB2 ))
   (( segid "BBBB" and resid 43   and name HA  ))
 OR {  208}
   (( segid "BBBB" and resid 37   and name HG2 ))
   (( segid "BBBB" and resid 21   and name HA  ))
 OR {  208}
   (( segid "AAAA" and resid 37   and name HG2 ))
   (( segid "AAAA" and resid 21   and name HA  ))
 ASSI {  209}
   (( segid "AAAA" and resid 97   and name HG2 ))
   (( segid "BBBB" and resid 73   and name HB2 ))
      2.700     2.700     3.300 peak   209 spectrum    1 weight  0.10000E+01 volume  0.46223E-02 ppm1      1.311 ppm2      3.012 CV     1
 ASSI {  210}
   (( segid "AAAA" and resid 98   and name HG2 ))
   (( segid "AAAA" and resid 98   and name HD2 ))
      2.600     0.800     0.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.29745E-02 ppm1      1.299 ppm2      1.638 CV     1
 OR {  210}
   (( segid "BBBB" and resid 98   and name HG2 ))
   (( segid "BBBB" and resid 98   and name HD2 ))
 OR {  210}
   (( segid "AAAA" and resid 39   and name HG2 ))
   (( segid "AAAA" and resid 63   and name HB2 ))
 ASSI {  211}
   (  segid "BBBB" and resid 35   and name HG2%)
   (( segid "BBBB" and resid 66   and name HB2 ))
      2.400     0.700     0.700 peak   211 spectrum    1 weight  0.10000E+01 volume  0.50120E-02 ppm1      1.651 ppm2      3.252 CV     1
 OR {  211}
   (  segid "AAAA" and resid 35   and name HG2%)
   (( segid "AAAA" and resid 66   and name HB2 ))
 ASSI {  212}
   (( segid "AAAA" and resid 76   and name HB2 ))
   (( segid "BBBB" and resid 94   and name HA1 ))
      2.600     0.800     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.95052E-02 ppm1      2.858 ppm2      3.814 CV     1
 OR {  212}
   (( segid "BBBB" and resid 76   and name HB2 ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  212}
   (( segid "AAAA" and resid 76   and name HB2 ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 ASSI {  213}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (  segid "BBBB" and resid 21   and name HE% )
      2.900     2.900     3.100 peak   213 spectrum    1 weight  0.10000E+01 volume  0.73901E-02 ppm1      1.276 ppm2      7.102 CV     1
 OR {  213}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (  segid "AAAA" and resid 21   and name HE% )
 OR {  213}
   (( segid "AAAA" and resid 39   and name HG2 ))
   (( segid "AAAA" and resid 36   and name HN  ))
 OR {  213}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 36   and name HN  ))
 OR {  213}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (  segid "BBBB" and resid 20   and name HE% )
 OR {  213}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (  segid "AAAA" and resid 20   and name HE% )
 ASSI {  217}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 43   and name HB  ))
      2.600     0.800     0.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.37725E-02 ppm1      1.112 ppm2      4.095 CV     1
 OR {  217}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (( segid "BBBB" and resid 43   and name HB  ))
 ASSI {  221}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 75   and name HN  ))
      3.100     1.200     1.200 peak   221 spectrum    1 weight  0.10000E+01 volume  0.41517E-02 ppm1      0.877 ppm2      7.102 CV     1
 OR {  221}
   (  segid "AAAA" and resid 95   and name HG2%)
   (  segid "BBBB" and resid 73   and name HE% )
 OR {  221}
   (  segid "BBBB" and resid 95   and name HG2%)
   (  segid "AAAA" and resid 73   and name HE% )
 OR {  221}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (  segid "BBBB" and resid 20   and name HE% )
 ASSI {  222}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
      2.600     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.87671E-02 ppm1      1.475 ppm2      2.316 CV     1
 OR {  222}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 OR {  222}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 OR {  222}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 OR {  222}
   (( segid "BBBB" and resid 6    and name HG  ))
   (( segid "AAAA" and resid 90   and name HG2 ))
 OR {  222}
   (( segid "AAAA" and resid 6    and name HG  ))
   (( segid "BBBB" and resid 90   and name HG2 ))
 OR {  222}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 72   and name HB2 ))
 OR {  222}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 72   and name HB2 ))
 OR {  222}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 OR {  222}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
 OR {  222}
   (( segid "AAAA" and resid 83   and name HG  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 ASSI {  224}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 83   and name HA  ))
      2.900     1.100     1.100 peak   224 spectrum    1 weight  0.10000E+01 volume  0.34203E-02 ppm1      3.561 ppm2      3.949 CV     1
 OR {  224}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 83   and name HA  ))
 OR {  224}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 83   and name HA  ))
 OR {  224}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 83   and name HA  ))
 ASSI {  226}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 58   and name HG2 ))
      3.200     1.300     1.300 peak   226 spectrum    1 weight  0.10000E+01 volume  0.61665E-02 ppm1      1.873 ppm2      2.328 CV     1
 OR {  226}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 OR {  226}
   (( segid "AAAA" and resid 61   and name HB2 ))
   (( segid "AAAA" and resid 58   and name HG2 ))
 OR {  226}
   (( segid "BBBB" and resid 59   and name HB2 ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 OR {  226}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 ASSI {  228}
   (( segid "BBBB" and resid 76   and name HB2 ))
   (( segid "BBBB" and resid 77   and name HZ3 ))
      3.100     3.100     2.900 peak   228 spectrum    1 weight  0.10000E+01 volume  0.52237E-02 ppm1      2.811 ppm2      6.582 CV     1
 OR {  228}
   (( segid "AAAA" and resid 76   and name HB2 ))
   (( segid "AAAA" and resid 77   and name HZ3 ))
 OR {  228}
   (( segid "AAAA" and resid 76   and name HB2 ))
   (  segid "AAAA" and resid 73   and name HD% )
 ASSI {  229}
   (( segid "BBBB" and resid 85   and name HB2 ))
   (( segid "BBBB" and resid 85   and name HA  ))
      2.500     0.800     0.800 peak   229 spectrum    1 weight  0.10000E+01 volume  0.56256E-02 ppm1      1.709 ppm2      3.504 CV     1
 OR {  229}
   (( segid "AAAA" and resid 85   and name HB2 ))
   (( segid "AAAA" and resid 85   and name HA  ))
 ASSI {  230}
   (( segid "AAAA" and resid 38   and name HA  ))
   (  segid "AAAA" and resid 38   and name HD% )
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.53670E-02 ppm1      4.194 ppm2      7.020 CV     1
 OR {  230}
   (( segid "BBBB" and resid 38   and name HA  ))
   (  segid "BBBB" and resid 38   and name HD% )
 OR {  230}
   (( segid "BBBB" and resid 38   and name HA  ))
   (  segid "BBBB" and resid 23   and name HE% )
 OR {  230}
   (( segid "AAAA" and resid 38   and name HA  ))
   (  segid "AAAA" and resid 23   and name HE% )
 OR {  230}
   (( segid "AAAA" and resid 63   and name HA  ))
   (  segid "AAAA" and resid 38   and name HD% )
 ASSI {  231}
   (( segid "BBBB" and resid 16   and name HA  ))
   (  segid "BBBB" and resid 21   and name HE% )
      3.300     1.400     1.400 peak   231 spectrum    1 weight  0.10000E+01 volume  0.44596E-02 ppm1      3.760 ppm2      7.073 CV     1
 OR {  231}
   (( segid "AAAA" and resid 16   and name HA  ))
   (  segid "AAAA" and resid 21   and name HE% )
 OR {  231}
   (( segid "AAAA" and resid 28   and name HA2 ))
   (  segid "AAAA" and resid 73   and name HE% )
 OR {  231}
   (( segid "BBBB" and resid 28   and name HA2 ))
   (  segid "BBBB" and resid 73   and name HE% )
 OR {  231}
   (( segid "AAAA" and resid 28   and name HA1 ))
   (  segid "AAAA" and resid 73   and name HE% )
 ASSI {  233}
   (( segid "AAAA" and resid 33   and name HB2 ))
   (( segid "AAAA" and resid 70   and name HG2 ))
      2.600     0.800     0.800 peak   233 spectrum    1 weight  0.10000E+01 volume  0.28387E-02 ppm1      1.955 ppm2      2.070 CV     1
 OR {  233}
   (( segid "BBBB" and resid 33   and name HB2 ))
   (( segid "BBBB" and resid 70   and name HG2 ))
 ASSI {  234}
   (( segid "AAAA" and resid 51   and name HE2 ))
   (( segid "AAAA" and resid 48   and name HB2 ))
      2.500     0.800     0.800 peak   234 spectrum    1 weight  0.10000E+01 volume  0.62633E-02 ppm1      3.069 ppm2      3.328 CV     1
 OR {  234}
   (( segid "BBBB" and resid 51   and name HE2 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 OR {  234}
   (( segid "AAAA" and resid 59   and name HD2 ))
   (( segid "AAAA" and resid 56   and name HA  ))
 OR {  234}
   (( segid "BBBB" and resid 59   and name HD2 ))
   (( segid "BBBB" and resid 56   and name HA  ))
 OR {  234}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 21   and name HB2 ))
 ASSI {  236}
   (( segid "AAAA" and resid 25   and name HA2 ))
   (( segid "AAAA" and resid 25   and name HA1 ))
      2.600     2.600     3.400 peak   236 spectrum    1 weight  0.10000E+01 volume  0.18836E-02 ppm1      3.889 ppm2      4.153 CV     1
 OR {  236}
   (( segid "BBBB" and resid 25   and name HA2 ))
   (( segid "BBBB" and resid 25   and name HA1 ))
 ASSI {  237}
   (( segid "BBBB" and resid 6    and name HB2 ))
   (( segid "BBBB" and resid 10   and name HA  ))
      3.300     1.400     1.400 peak   237 spectrum    1 weight  0.10000E+01 volume  0.39579E-02 ppm1      1.709 ppm2      3.703 CV     1
 OR {  237}
   (( segid "AAAA" and resid 6    and name HB2 ))
   (( segid "AAAA" and resid 10   and name HA  ))
 OR {  237}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 32   and name HB2 ))
 OR {  237}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 32   and name HB2 ))
 OR {  237}
   (( segid "BBBB" and resid 9    and name HB2 ))
   (( segid "BBBB" and resid 10   and name HA  ))
 ASSI {  238}
   (( segid "AAAA" and resid 85   and name HD2 ))
   (( segid "AAAA" and resid 82   and name HA  ))
      3.500     1.500     1.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.47269E-02 ppm1      1.615 ppm2      3.832 CV     1
 OR {  238}
   (( segid "BBBB" and resid 85   and name HD2 ))
   (( segid "BBBB" and resid 82   and name HA  ))
 OR {  238}
   (  segid "BBBB" and resid 35   and name HG2%)
   (( segid "BBBB" and resid 21   and name HA  ))
 OR {  238}
   (  segid "AAAA" and resid 35   and name HG2%)
   (( segid "AAAA" and resid 21   and name HA  ))
 OR {  238}
   (( segid "AAAA" and resid 97   and name HD2 ))
   (( segid "AAAA" and resid 94   and name HA2 ))
 ASSI {  239}
   (( segid "BBBB" and resid 21   and name HB2 ))
   (( segid "BBBB" and resid 21   and name HA  ))
      2.600     0.800     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.50856E-02 ppm1      3.315 ppm2      3.861 CV     1
 OR {  239}
   (( segid "AAAA" and resid 21   and name HB2 ))
   (( segid "AAAA" and resid 21   and name HA  ))
 OR {  239}
   (( segid "AAAA" and resid 21   and name HB2 ))
   (( segid "AAAA" and resid 22   and name HA  ))
 OR {  239}
   (( segid "BBBB" and resid 48   and name HB2 ))
   (( segid "BBBB" and resid 53   and name HA  ))
 OR {  239}
   (( segid "AAAA" and resid 48   and name HB2 ))
   (( segid "AAAA" and resid 53   and name HA  ))
 ASSI {  240}
   (( segid "AAAA" and resid 47   and name HB1 ))
   (( segid "AAAA" and resid 47   and name HA  ))
      3.000     1.100     1.100 peak   240 spectrum    1 weight  0.10000E+01 volume  0.18117E-02 ppm1      2.014 ppm2      4.177 CV     1
 OR {  240}
   (( segid "BBBB" and resid 47   and name HB1 ))
   (( segid "BBBB" and resid 47   and name HA  ))
 OR {  240}
   (( segid "AAAA" and resid 47   and name HB2 ))
   (( segid "AAAA" and resid 47   and name HA  ))
 OR {  240}
   (( segid "BBBB" and resid 47   and name HB2 ))
   (( segid "BBBB" and resid 47   and name HA  ))
 ASSI {  241}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HN  ))
      2.200     0.600     0.600 peak   241 spectrum    1 weight  0.10000E+01 volume  0.50396E-02 ppm1      1.897 ppm2      7.957 CV     1
 OR {  241}
   (( segid "BBBB" and resid 59   and name HB2 ))
   (( segid "BBBB" and resid 59   and name HN  ))
 OR {  241}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 87   and name HN  ))
 OR {  241}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 87   and name HN  ))
 ASSI {  242}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (  segid "BBBB" and resid 20   and name HD% )
      2.600     0.800     0.800 peak   242 spectrum    1 weight  0.10000E+01 volume  0.48400E-02 ppm1      3.022 ppm2      6.582 CV     1
 OR {  242}
   (( segid "AAAA" and resid 20   and name HB2 ))
   (  segid "AAAA" and resid 20   and name HD% )
 OR {  242}
   (( segid "BBBB" and resid 73   and name HB2 ))
   (  segid "BBBB" and resid 73   and name HD% )
 OR {  242}
   (( segid "AAAA" and resid 73   and name HB2 ))
   (  segid "AAAA" and resid 73   and name HD% )
 ASSI {  243}
   (( segid "BBBB" and resid 49   and name HB2 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
      3.200     3.200     2.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.63202E-02 ppm1      1.580 ppm2      3.352 CV     1
 OR {  243}
   (( segid "AAAA" and resid 49   and name HB2 ))
   (( segid "AAAA" and resid 48   and name HB2 ))
 ASSI {  246}
   (( segid "BBBB" and resid 52   and name HB2 ))
   (( segid "AAAA" and resid 3    and name HA  ))
      3.400     1.500     1.500 peak   246 spectrum    1 weight  0.10000E+01 volume  0.41196E-02 ppm1      2.764 ppm2      4.288 CV     1
 OR {  246}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "BBBB" and resid 3    and name HA  ))
 OR {  246}
   (( segid "BBBB" and resid 52   and name HB2 ))
   (( segid "AAAA" and resid 4    and name HA  ))
 OR {  246}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "BBBB" and resid 4    and name HA  ))
 ASSI {  248}
   (( segid "BBBB" and resid 41   and name HG  ))
   (  segid "BBBB" and resid 20   and name HE% )
      2.800     1.000     1.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.52638E-02 ppm1      0.983 ppm2      7.102 CV     1
 OR {  248}
   (( segid "AAAA" and resid 41   and name HG  ))
   (  segid "AAAA" and resid 20   and name HE% )
 ASSI {  252}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 21   and name HA  ))
      3.700     1.700     1.700 peak   252 spectrum    1 weight  0.10000E+01 volume  0.63724E-02 ppm1      3.069 ppm2      3.855 CV     1
 OR {  252}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 21   and name HA  ))
 OR {  252}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 21   and name HA  ))
 ASSI {  253}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
      2.100     0.600     0.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.44596E-02 ppm1      1.100 ppm2      2.515 CV     1
 OR {  253}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 ASSI {  257}
   (( segid "AAAA" and resid 2    and name HA  ))
   (( segid "BBBB" and resid 42   and name HN  ))
      5.500     3.700     0.500 peak   257 spectrum    1 weight  0.10000E+01 volume  0.34635E-02 ppm1      4.393 ppm2      8.501 CV     1
 OR {  257}
   (( segid "BBBB" and resid 2    and name HA  ))
   (( segid "AAAA" and resid 42   and name HN  ))
 ASSI {  259}
   (( segid "BBBB" and resid 74   and name HA  ))
   (( segid "BBBB" and resid 75   and name HA  ))
      3.400     1.400     1.400 peak   259 spectrum    1 weight  0.10000E+01 volume  0.18043E-02 ppm1      4.030 ppm2      4.364 CV     1
 OR {  259}
   (( segid "AAAA" and resid 74   and name HA  ))
   (( segid "AAAA" and resid 75   and name HA  ))
 OR {  259}
   (( segid "AAAA" and resid 90   and name HA  ))
   (( segid "BBBB" and resid 6    and name HA  ))
 OR {  259}
   (( segid "AAAA" and resid 89   and name HA  ))
   (( segid "BBBB" and resid 6    and name HA  ))
 OR {  259}
   (( segid "BBBB" and resid 89   and name HA  ))
   (( segid "AAAA" and resid 6    and name HA  ))
 OR {  259}
   (( segid "AAAA" and resid 58   and name HA  ))
   (( segid "BBBB" and resid 1    and name HA  ))
 OR {  259}
   (( segid "AAAA" and resid 58   and name HA  ))
   (( segid "BBBB" and resid 2    and name HA  ))
 ASSI {  260}
   (( segid "AAAA" and resid 83   and name HB2 ))
   (( segid "AAAA" and resid 86   and name HG2 ))
      3.200     1.300     1.300 peak   260 spectrum    1 weight  0.10000E+01 volume  0.53371E-02 ppm1      1.791 ppm2      2.334 CV     1
 OR {  260}
   (( segid "BBBB" and resid 83   and name HB2 ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 OR {  260}
   (( segid "BBBB" and resid 83   and name HB2 ))
   (( segid "BBBB" and resid 82   and name HG2 ))
 OR {  260}
   (( segid "AAAA" and resid 83   and name HB2 ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 OR {  260}
   (( segid "BBBB" and resid 45   and name HB2 ))
   (( segid "BBBB" and resid 44   and name HB2 ))
 OR {  260}
   (( segid "AAAA" and resid 45   and name HB2 ))
   (( segid "AAAA" and resid 44   and name HB2 ))
 OR {  260}
   (( segid "BBBB" and resid 27   and name HB2 ))
   (( segid "BBBB" and resid 37   and name HG2 ))
 OR {  260}
   (( segid "AAAA" and resid 27   and name HB2 ))
   (( segid "AAAA" and resid 37   and name HG2 ))
 ASSI {  261}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 46   and name HN  ))
      3.300     3.300     2.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.33780E-02 ppm1      1.369 ppm2      7.284 CV     1
 OR {  261}
   (  segid "BBBB" and resid 7    and name HG2%)
   (( segid "AAAA" and resid 86   and name HN  ))
 OR {  261}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 86   and name HN  ))
 ASSI {  264}
   (( segid "AAAA" and resid 16   and name HB  ))
   (( segid "AAAA" and resid 83   and name HA  ))
      3.000     3.000     3.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.52100E-02 ppm1      2.647 ppm2      3.978 CV     1
 OR {  264}
   (( segid "BBBB" and resid 16   and name HB  ))
   (( segid "BBBB" and resid 83   and name HA  ))
 ASSI {  266}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (  segid "AAAA" and resid 38   and name HD% )
      2.900     2.900     3.100 peak   266 spectrum    1 weight  0.10000E+01 volume  0.26529E-02 ppm1      1.100 ppm2      7.020 CV     1
 OR {  266}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (  segid "BBBB" and resid 38   and name HD% )
 ASSI {  267}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 42   and name HN  ))
      3.200     3.200     2.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.29999E-02 ppm1      1.428 ppm2      8.501 CV     1
 OR {  267}
   (( segid "BBBB" and resid 46   and name HG  ))
   (( segid "BBBB" and resid 42   and name HN  ))
 ASSI {  269}
   (( segid "BBBB" and resid 14   and name HG2 ))
   (( segid "BBBB" and resid 15   and name HB  ))
      3.300     3.300     2.700 peak   269 spectrum    1 weight  0.10000E+01 volume  0.37944E-02 ppm1      2.483 ppm2      4.405 CV     1
 OR {  269}
   (( segid "AAAA" and resid 14   and name HG2 ))
   (( segid "AAAA" and resid 15   and name HB  ))
 OR {  269}
   (( segid "AAAA" and resid 14   and name HG2 ))
   (( segid "BBBB" and resid 15   and name HB  ))
 OR {  269}
   (( segid "BBBB" and resid 14   and name HG2 ))
   (( segid "AAAA" and resid 15   and name HB  ))
 ASSI {  271}
   (( segid "BBBB" and resid 32   and name HB2 ))
   (( segid "BBBB" and resid 32   and name HA  ))
      2.400     0.700     0.700 peak   271 spectrum    1 weight  0.10000E+01 volume  0.27776E-02 ppm1      3.655 ppm2      5.160 CV     1
 OR {  271}
   (( segid "AAAA" and resid 32   and name HB2 ))
   (( segid "AAAA" and resid 32   and name HA  ))
 ASSI {  272}
   (( segid "AAAA" and resid 59   and name HD2 ))
   (( segid "BBBB" and resid 4    and name HA  ))
      3.100     1.200     1.200 peak   272 spectrum    1 weight  0.10000E+01 volume  0.69596E-02 ppm1      3.092 ppm2      4.229 CV     1
 OR {  272}
   (( segid "BBBB" and resid 59   and name HD2 ))
   (( segid "AAAA" and resid 4    and name HA  ))
 OR {  272}
   (( segid "BBBB" and resid 96   and name HD2 ))
   (( segid "BBBB" and resid 96   and name HA  ))
 OR {  272}
   (( segid "AAAA" and resid 96   and name HD2 ))
   (( segid "AAAA" and resid 96   and name HA  ))
 ASSI {  275}
   (( segid "BBBB" and resid 70   and name HB2 ))
   (( segid "BBBB" and resid 70   and name HG2 ))
      2.200     0.600     0.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.93433E-02 ppm1      1.791 ppm2      2.047 CV     1
 OR {  275}
   (( segid "AAAA" and resid 70   and name HB2 ))
   (( segid "AAAA" and resid 70   and name HG2 ))
 OR {  275}
   (( segid "BBBB" and resid 45   and name HB2 ))
   (( segid "BBBB" and resid 53   and name HB  ))
 OR {  275}
   (( segid "AAAA" and resid 45   and name HB2 ))
   (( segid "AAAA" and resid 53   and name HB  ))
 OR {  275}
   (( segid "BBBB" and resid 83   and name HB2 ))
   (( segid "BBBB" and resid 82   and name HB2 ))
 OR {  275}
   (( segid "AAAA" and resid 83   and name HB2 ))
   (( segid "AAAA" and resid 82   and name HB2 ))
 OR {  275}
   (( segid "BBBB" and resid 27   and name HB2 ))
   (( segid "BBBB" and resid 26   and name HB2 ))
 ASSI {  277}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (( segid "AAAA" and resid 16   and name HN  ))
      2.800     1.000     1.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.46703E-02 ppm1      1.252 ppm2      8.641 CV     1
 OR {  277}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (( segid "BBBB" and resid 16   and name HN  ))
 OR {  277}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (( segid "AAAA" and resid 9    and name HN  ))
 OR {  277}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (( segid "BBBB" and resid 9    and name HN  ))
 ASSI {  278}
   (( segid "BBBB" and resid 41   and name HG  ))
   (  segid "BBBB" and resid 38   and name HD% )
      2.700     0.900     0.900 peak   278 spectrum    1 weight  0.10000E+01 volume  0.49769E-02 ppm1      0.994 ppm2      7.015 CV     1
 OR {  278}
   (( segid "AAAA" and resid 41   and name HG  ))
   (  segid "AAAA" and resid 38   and name HD% )
 OR {  278}
   (( segid "BBBB" and resid 41   and name HG  ))
   (  segid "BBBB" and resid 23   and name HE% )
 ASSI {  279}
   (( segid "BBBB" and resid 85   and name HG2 ))
   (( segid "BBBB" and resid 85   and name HE2 ))
      2.900     1.000     1.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.38344E-02 ppm1      1.498 ppm2      3.048 CV     1
 OR {  279}
   (( segid "AAAA" and resid 85   and name HG2 ))
   (( segid "AAAA" and resid 85   and name HE2 ))
 OR {  279}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 73   and name HB2 ))
 OR {  279}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 73   and name HB2 ))
 ASSI {  284}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   284 spectrum    1 weight  0.10000E+01 volume  0.31151E-02 ppm1      1.240 ppm2      3.451 CV     1
 OR {  284}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 42   and name HA  ))
 ASSI {  285}
   (( segid "BBBB" and resid 75   and name HB2 ))
   (( segid "BBBB" and resid 78   and name HN  ))
      2.900     1.100     1.100 peak   285 spectrum    1 weight  0.10000E+01 volume  0.55515E-02 ppm1      2.319 ppm2      7.254 CV     1
 OR {  285}
   (( segid "AAAA" and resid 75   and name HB2 ))
   (( segid "AAAA" and resid 78   and name HN  ))
 OR {  285}
   (( segid "BBBB" and resid 75   and name HB2 ))
   (( segid "BBBB" and resid 77   and name HD1 ))
 OR {  285}
   (( segid "AAAA" and resid 75   and name HB2 ))
   (( segid "AAAA" and resid 77   and name HD1 ))
 ASSI {  287}
   (( segid "AAAA" and resid 88   and name HB2 ))
   (( segid "AAAA" and resid 84   and name HA  ))
      3.100     1.200     1.200 peak   287 spectrum    1 weight  0.10000E+01 volume  0.29299E-02 ppm1      1.451 ppm2      3.551 CV     1
 OR {  287}
   (( segid "BBBB" and resid 88   and name HB2 ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  287}
   (( segid "AAAA" and resid 80   and name HB  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  287}
   (( segid "BBBB" and resid 80   and name HB  ))
   (( segid "AAAA" and resid 84   and name HA  ))
 OR {  287}
   (( segid "AAAA" and resid 88   and name HB2 ))
   (( segid "AAAA" and resid 85   and name HA  ))
 ASSI {  288}
   (( segid "AAAA" and resid 88   and name HB2 ))
   (( segid "AAAA" and resid 84   and name HA  ))
      3.000     1.100     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.25484E-02 ppm1      1.475 ppm2      3.586 CV     1
 OR {  288}
   (( segid "BBBB" and resid 88   and name HB2 ))
   (( segid "BBBB" and resid 84   and name HA  ))
 ASSI {  289}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (( segid "BBBB" and resid 17   and name HN  ))
      2.900     1.100     1.100 peak   289 spectrum    1 weight  0.10000E+01 volume  0.43333E-02 ppm1      1.276 ppm2      8.243 CV     1
 OR {  289}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (( segid "AAAA" and resid 17   and name HN  ))
 OR {  289}
   (( segid "BBBB" and resid 98   and name HG2 ))
   (( segid "BBBB" and resid 97   and name HN  ))
 OR {  289}
   (( segid "AAAA" and resid 98   and name HG2 ))
   (( segid "AAAA" and resid 97   and name HN  ))
 ASSI {  292}
   (( segid "AAAA" and resid 9    and name HG  ))
   (  segid "BBBB" and resid 21   and name HD% )
      2.600     2.600     3.400 peak   292 spectrum    1 weight  0.10000E+01 volume  0.46172E-02 ppm1      1.428 ppm2      6.710 CV     1
 OR {  292}
   (( segid "BBBB" and resid 83   and name HG  ))
   (  segid "BBBB" and resid 21   and name HD% )
 OR {  292}
   (( segid "AAAA" and resid 83   and name HG  ))
   (  segid "AAAA" and resid 21   and name HD% )
 ASSI {  293}
   (( segid "AAAA" and resid 32   and name HB2 ))
   (( segid "BBBB" and resid 94   and name HA1 ))
      5.900     4.300     0.100 peak   293 spectrum    1 weight  0.10000E+01 volume  0.16080E-03 ppm1      3.655 ppm2      3.785 CV     1
 OR {  293}
   (( segid "BBBB" and resid 32   and name HB2 ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  293}
   (( segid "AAAA" and resid 32   and name HB2 ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 OR {  293}
   (( segid "BBBB" and resid 32   and name HB2 ))
   (( segid "AAAA" and resid 94   and name HA2 ))
 OR {  293}
   (( segid "BBBB" and resid 24   and name HA  ))
   (( segid "BBBB" and resid 28   and name HA2 ))
 OR {  293}
   (( segid "AAAA" and resid 24   and name HA  ))
   (( segid "AAAA" and resid 28   and name HA2 ))
 OR {  293}
   (( segid "BBBB" and resid 24   and name HA  ))
   (( segid "BBBB" and resid 28   and name HA1 ))
 ASSI {  297}
   (( segid "BBBB" and resid 80   and name HB  ))
   (( segid "BBBB" and resid 77   and name HB2 ))
      2.700     0.900     0.900 peak   297 spectrum    1 weight  0.10000E+01 volume  0.31198E-02 ppm1      1.381 ppm2      3.007 CV     1
 OR {  297}
   (( segid "AAAA" and resid 80   and name HB  ))
   (( segid "AAAA" and resid 77   and name HB2 ))
 ASSI {  298}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 86   and name HA  ))
      2.800     2.800     3.200 peak   298 spectrum    1 weight  0.10000E+01 volume  0.34674E-02 ppm1      3.561 ppm2      4.101 CV     1
 OR {  298}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {  298}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {  298}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 86   and name HA  ))
 ASSI {  299}
   (( segid "AAAA" and resid 90   and name HB2 ))
   (( segid "AAAA" and resid 84   and name HA  ))
      3.300     3.300     2.700 peak   299 spectrum    1 weight  0.10000E+01 volume  0.24628E-02 ppm1      2.072 ppm2      3.545 CV     1
 OR {  299}
   (( segid "BBBB" and resid 82   and name HB2 ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  299}
   (( segid "AAAA" and resid 82   and name HB2 ))
   (( segid "AAAA" and resid 84   and name HA  ))
 OR {  299}
   (( segid "BBBB" and resid 82   and name HB2 ))
   (( segid "BBBB" and resid 85   and name HA  ))
 OR {  299}
   (( segid "AAAA" and resid 82   and name HB2 ))
   (( segid "AAAA" and resid 85   and name HA  ))
 ASSI {  300}
   (( segid "BBBB" and resid 76   and name HB2 ))
   (( segid "BBBB" and resid 76   and name HA  ))
      2.400     0.700     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.54868E-02 ppm1      2.881 ppm2      4.083 CV     1
 OR {  300}
   (( segid "AAAA" and resid 76   and name HB2 ))
   (( segid "AAAA" and resid 76   and name HA  ))
 OR {  300}
   (( segid "AAAA" and resid 36   and name HB2 ))
   (( segid "AAAA" and resid 37   and name HA  ))
 ASSI {  301}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (  segid "AAAA" and resid 23   and name HE% )
      2.100     0.500     0.500 peak   301 spectrum    1 weight  0.10000E+01 volume  0.54406E-02 ppm1      3.080 ppm2      7.026 CV     1
 OR {  301}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (  segid "BBBB" and resid 23   and name HE% )
 OR {  301}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (  segid "BBBB" and resid 38   and name HD% )
 OR {  301}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (  segid "AAAA" and resid 38   and name HD% )
 OR {  301}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 20   and name HN  ))
 ASSI {  302}
   (( segid "AAAA" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 8    and name HA  ))
      3.400     1.500     1.500 peak   302 spectrum    1 weight  0.10000E+01 volume  0.41057E-02 ppm1      3.057 ppm2      4.112 CV     1
 OR {  302}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "AAAA" and resid 8    and name HA  ))
 OR {  302}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 17   and name HA  ))
 OR {  302}
   (( segid "AAAA" and resid 20   and name HB2 ))
   (( segid "AAAA" and resid 17   and name HA  ))
 OR {  302}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 ASSI {  303}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 85   and name HA  ))
      6.300     5.400     1.400 peak   303 spectrum    1 weight  0.10000E+01 volume  0.31177E-02 ppm1      1.369 ppm2      3.568 CV     1
 ASSI {  305}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 89   and name HD2 ))
      2.600     2.600     3.400 peak   305 spectrum    1 weight  0.10000E+01 volume  0.13554E-02 ppm1      1.194 ppm2      1.556 CV     1
 OR {  305}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 89   and name HD2 ))
 ASSI {  308}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "BBBB" and resid 5    and name HA  ))
      3.200     3.200     2.800 peak   308 spectrum    1 weight  0.10000E+01 volume  0.29162E-02 ppm1      2.752 ppm2      4.118 CV     1
 OR {  308}
   (( segid "BBBB" and resid 52   and name HB2 ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  308}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HA  ))
 ASSI {  309}
   (( segid "AAAA" and resid 34   and name HB2 ))
   (( segid "AAAA" and resid 24   and name HA  ))
      3.700     1.700     1.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.15679E-02 ppm1      3.420 ppm2      3.679 CV     1
 OR {  309}
   (( segid "BBBB" and resid 34   and name HB2 ))
   (( segid "BBBB" and resid 24   and name HA  ))
 OR {  309}
   (( segid "AAAA" and resid 13   and name HA  ))
   (( segid "AAAA" and resid 10   and name HA  ))
 OR {  309}
   (( segid "BBBB" and resid 13   and name HA  ))
   (( segid "BBBB" and resid 10   and name HA  ))
 ASSI {  310}
   (( segid "BBBB" and resid 62   and name HG1 ))
   (( segid "BBBB" and resid 58   and name HG2 ))
      3.300     1.300     1.300 peak   310 spectrum    1 weight  0.10000E+01 volume  0.57156E-02 ppm1      1.205 ppm2      2.316 CV     1
 OR {  310}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (( segid "AAAA" and resid 58   and name HG2 ))
 OR {  310}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 90   and name HG2 ))
 ASSI {  311}
   (( segid "AAAA" and resid 71   and name HB2 ))
   (( segid "AAAA" and resid 72   and name HD2 ))
      3.500     1.600     1.600 peak   311 spectrum    1 weight  0.10000E+01 volume  0.27077E-02 ppm1      2.131 ppm2      3.258 CV     1
 OR {  311}
   (( segid "BBBB" and resid 71   and name HB2 ))
   (( segid "BBBB" and resid 72   and name HD2 ))
 OR {  311}
   (( segid "BBBB" and resid 86   and name HB2 ))
   (( segid "AAAA" and resid 80   and name HA  ))
 OR {  311}
   (( segid "BBBB" and resid 67   and name HB2 ))
   (( segid "BBBB" and resid 66   and name HB2 ))
 OR {  311}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 80   and name HA  ))
 ASSI {  312}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 11   and name HN  ))
      3.400     1.500     1.500 peak   312 spectrum    1 weight  0.10000E+01 volume  0.27549E-02 ppm1      1.487 ppm2      9.279 CV     1
 OR {  312}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 11   and name HN  ))
 OR {  312}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 77   and name HN  ))
 OR {  312}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 77   and name HN  ))
 OR {  312}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 77   and name HN  ))
 OR {  312}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 77   and name HN  ))
 ASSI {  313}
   (( segid "BBBB" and resid 66   and name HB2 ))
   (  segid "BBBB" and resid 38   and name HD% )
      2.900     1.000     1.000 peak   313 spectrum    1 weight  0.10000E+01 volume  0.45998E-02 ppm1      3.221 ppm2      7.026 CV     1
 OR {  313}
   (( segid "AAAA" and resid 66   and name HB2 ))
   (  segid "AAAA" and resid 38   and name HD% )
 OR {  313}
   (( segid "AAAA" and resid 66   and name HB2 ))
   (  segid "AAAA" and resid 23   and name HE% )
 ASSI {  314}
   (( segid "AAAA" and resid 27   and name HB2 ))
   (( segid "AAAA" and resid 27   and name HG2 ))
      2.900     1.100     1.100 peak   314 spectrum    1 weight  0.10000E+01 volume  0.46139E-02 ppm1      1.733 ppm2      2.234 CV     1
 OR {  314}
   (( segid "BBBB" and resid 27   and name HB2 ))
   (( segid "BBBB" and resid 27   and name HG2 ))
 OR {  314}
   (( segid "BBBB" and resid 60   and name HB2 ))
   (( segid "BBBB" and resid 60   and name HG2 ))
 OR {  314}
   (( segid "AAAA" and resid 60   and name HB2 ))
   (( segid "AAAA" and resid 60   and name HG2 ))
 ASSI {  316}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 41   and name HB2 ))
      3.300     3.300     2.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.27752E-02 ppm1      1.205 ppm2      1.608 CV     1
 OR {  316}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 50   and name HB2 ))
 OR {  316}
   (( segid "BBBB" and resid 15   and name HG1 ))
   (( segid "BBBB" and resid 13   and name HG11))
 OR {  316}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (( segid "AAAA" and resid 13   and name HG11))
 OR {  316}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (( segid "BBBB" and resid 13   and name HG11))
 OR {  316}
   (( segid "AAAA" and resid 15   and name HG1 ))
   (( segid "AAAA" and resid 13   and name HG11))
 OR {  316}
   (( segid "AAAA" and resid 15   and name HG1 ))
   (( segid "BBBB" and resid 13   and name HG11))
 ASSI {  317}
   (( segid "AAAA" and resid 53   and name HB  ))
   (( segid "AAAA" and resid 48   and name HB2 ))
      2.800     1.000     1.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.37095E-02 ppm1      2.084 ppm2      3.311 CV     1
 OR {  317}
   (( segid "BBBB" and resid 53   and name HB  ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 OR {  317}
   (( segid "BBBB" and resid 70   and name HG2 ))
   (( segid "BBBB" and resid 72   and name HD2 ))
 ASSI {  318}
   (( segid "AAAA" and resid 61   and name HB2 ))
   (( segid "AAAA" and resid 64   and name HB2 ))
      3.300     3.300     2.700 peak   318 spectrum    1 weight  0.10000E+01 volume  0.47342E-02 ppm1      1.862 ppm2      2.855 CV     1
 OR {  318}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 64   and name HB2 ))
 OR {  318}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 76   and name HB2 ))
 OR {  318}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 76   and name HB2 ))
 ASSI {  320}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 88   and name HB2 ))
      3.200     3.200     2.800 peak   320 spectrum    1 weight  0.10000E+01 volume  0.37091E-02 ppm1      0.725 ppm2      1.462 CV     1
 OR {  320}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 88   and name HB2 ))
 ASSI {  322}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 78   and name HN  ))
      3.400     3.400     2.600 peak   322 spectrum    1 weight  0.10000E+01 volume  0.27157E-02 ppm1      1.463 ppm2      7.254 CV     1
 OR {  322}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 78   and name HN  ))
 OR {  322}
   (( segid "AAAA" and resid 88   and name HB2 ))
   (( segid "BBBB" and resid 77   and name HD1 ))
 OR {  322}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 77   and name HH2 ))
 OR {  322}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 77   and name HH2 ))
 OR {  322}
   (( segid "AAAA" and resid 88   and name HB2 ))
   (( segid "BBBB" and resid 78   and name HN  ))
 ASSI {  323}
   (( segid "AAAA" and resid 60   and name HG2 ))
   (( segid "AAAA" and resid 57   and name HB2 ))
      3.700     1.700     1.700 peak   323 spectrum    1 weight  0.10000E+01 volume  0.15707E-02 ppm1      2.201 ppm2      2.515 CV     1
 OR {  323}
   (( segid "BBBB" and resid 60   and name HG2 ))
   (( segid "BBBB" and resid 57   and name HB2 ))
 OR {  323}
   (( segid "AAAA" and resid 40   and name HB2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 ASSI {  324}
   (( segid "AAAA" and resid 58   and name HB2 ))
   (( segid "AAAA" and resid 56   and name HA  ))
      3.300     3.300     2.700 peak   324 spectrum    1 weight  0.10000E+01 volume  0.60699E-02 ppm1      2.014 ppm2      3.340 CV     1
 OR {  324}
   (( segid "BBBB" and resid 58   and name HB2 ))
   (( segid "BBBB" and resid 56   and name HA  ))
 OR {  324}
   (( segid "BBBB" and resid 47   and name HB1 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 OR {  324}
   (( segid "BBBB" and resid 47   and name HB2 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 OR {  324}
   (( segid "AAAA" and resid 47   and name HB1 ))
   (( segid "AAAA" and resid 48   and name HB2 ))
 ASSI {  329}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 14   and name HG2 ))
      3.800     1.800     1.800 peak   329 spectrum    1 weight  0.10000E+01 volume  0.10549E-02 ppm1      2.084 ppm2      2.445 CV     1
 OR {  329}
   (( segid "AAAA" and resid 14   and name HB2 ))
   (( segid "AAAA" and resid 14   and name HG2 ))
 ASSI {  330}
   (( segid "BBBB" and resid 9    and name HB2 ))
   (( segid "AAAA" and resid 86   and name HG2 ))
      2.500     0.800     0.800 peak   330 spectrum    1 weight  0.10000E+01 volume  0.68805E-02 ppm1      1.697 ppm2      2.310 CV     1
 OR {  330}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 72   and name HB2 ))
 OR {  330}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 72   and name HB2 ))
 OR {  330}
   (( segid "AAAA" and resid 9    and name HB2 ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 OR {  330}
   (( segid "AAAA" and resid 85   and name HB2 ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 OR {  330}
   (( segid "BBBB" and resid 85   and name HB2 ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 OR {  330}
   (( segid "AAAA" and resid 93   and name HB2 ))
   (( segid "AAAA" and resid 90   and name HG2 ))
 OR {  330}
   (( segid "BBBB" and resid 93   and name HB2 ))
   (( segid "BBBB" and resid 90   and name HG2 ))
 OR {  330}
   (( segid "BBBB" and resid 89   and name HB2 ))
   (( segid "BBBB" and resid 90   and name HG2 ))
 OR {  330}
   (( segid "AAAA" and resid 89   and name HB2 ))
   (( segid "AAAA" and resid 90   and name HG2 ))
 OR {  330}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 OR {  330}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 ASSI {  332}
   (( segid "AAAA" and resid 13   and name HG12))
   (( segid "AAAA" and resid 17   and name HA  ))
      3.700     1.700     1.700 peak   332 spectrum    1 weight  0.10000E+01 volume  0.16026E-02 ppm1      1.756 ppm2      4.095 CV     1
 OR {  332}
   (( segid "BBBB" and resid 13   and name HG12))
   (( segid "BBBB" and resid 17   and name HA  ))
 OR {  332}
   (( segid "AAAA" and resid 96   and name HB2 ))
   (( segid "AAAA" and resid 93   and name HA  ))
 OR {  332}
   (( segid "BBBB" and resid 96   and name HB2 ))
   (( segid "BBBB" and resid 93   and name HA  ))
 OR {  332}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 76   and name HA  ))
 OR {  332}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 76   and name HA  ))
 OR {  332}
   (( segid "AAAA" and resid 70   and name HB2 ))
   (( segid "AAAA" and resid 76   and name HA  ))
 ASSI {  333}
   (( segid "AAAA" and resid 27   and name HB2 ))
   (( segid "AAAA" and resid 27   and name HG2 ))
      3.000     1.100     1.100 peak   333 spectrum    1 weight  0.10000E+01 volume  0.38816E-02 ppm1      1.791 ppm2      2.205 CV     1
 OR {  333}
   (( segid "BBBB" and resid 27   and name HB2 ))
   (( segid "BBBB" and resid 27   and name HG2 ))
 ASSI {  335}
   (( segid "BBBB" and resid 7    and name HA  ))
   (( segid "BBBB" and resid 7    and name HB  ))
      2.600     0.900     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.23915E-02 ppm1      4.487 ppm2      4.926 CV     1
 OR {  335}
   (( segid "AAAA" and resid 7    and name HA  ))
   (( segid "AAAA" and resid 7    and name HB  ))
 ASSI {  337}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 7    and name HB  ))
      3.200     1.300     1.300 peak   337 spectrum    1 weight  0.10000E+01 volume  0.19260E-02 ppm1      1.428 ppm2      4.926 CV     1
 OR {  337}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 7    and name HB  ))
 ASSI {  343}
   (( segid "BBBB" and resid 60   and name HG2 ))
   (( segid "BBBB" and resid 60   and name HA  ))
      3.200     1.300     1.300 peak   343 spectrum    1 weight  0.10000E+01 volume  0.22440E-02 ppm1      2.237 ppm2      3.328 CV     1
 OR {  343}
   (( segid "AAAA" and resid 60   and name HG2 ))
   (( segid "AAAA" and resid 60   and name HA  ))
 OR {  343}
   (( segid "BBBB" and resid 17   and name HB  ))
   (( segid "BBBB" and resid 21   and name HB2 ))
 ASSI {  344}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 43   and name HN  ))
      3.400     1.400     1.400 peak   344 spectrum    1 weight  0.10000E+01 volume  0.25726E-02 ppm1      1.487 ppm2      7.957 CV     1
 OR {  344}
   (( segid "BBBB" and resid 46   and name HG  ))
   (( segid "BBBB" and resid 43   and name HN  ))
 OR {  344}
   (( segid "AAAA" and resid 88   and name HB2 ))
   (( segid "AAAA" and resid 87   and name HN  ))
 OR {  344}
   (( segid "BBBB" and resid 88   and name HB2 ))
   (( segid "BBBB" and resid 87   and name HN  ))
 OR {  344}
   (( segid "BBBB" and resid 83   and name HG  ))
   (( segid "AAAA" and resid 87   and name HN  ))
 OR {  344}
   (( segid "AAAA" and resid 83   and name HG  ))
   (( segid "BBBB" and resid 87   and name HN  ))
 OR {  344}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 87   and name HN  ))
 OR {  344}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 87   and name HN  ))
 ASSI {  346}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (( segid "BBBB" and resid 41   and name HB2 ))
      3.900     1.900     1.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.14738E-02 ppm1      1.088 ppm2      1.608 CV     1
 OR {  346}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 41   and name HB2 ))
 ASSI {  350}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      3.600     1.600     1.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.30552E-02 ppm1      1.194 ppm2      2.527 CV     1
 OR {  350}
   (( segid "AAAA" and resid 63   and name HG  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 ASSI {  351}
   (( segid "AAAA" and resid 10   and name HB2 ))
   (( segid "BBBB" and resid 84   and name HA  ))
      3.200     3.200     2.800 peak   351 spectrum    1 weight  0.10000E+01 volume  0.25522E-02 ppm1      1.979 ppm2      3.522 CV     1
 OR {  351}
   (( segid "AAAA" and resid 10   and name HB2 ))
   (( segid "BBBB" and resid 85   and name HA  ))
 OR {  351}
   (( segid "AAAA" and resid 13   and name HB  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  351}
   (( segid "AAAA" and resid 78   and name HB2 ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  351}
   (( segid "BBBB" and resid 78   and name HB2 ))
   (( segid "AAAA" and resid 84   and name HA  ))
 OR {  351}
   (( segid "AAAA" and resid 13   and name HB  ))
   (( segid "BBBB" and resid 85   and name HA  ))
 OR {  351}
   (( segid "BBBB" and resid 13   and name HB  ))
   (( segid "AAAA" and resid 84   and name HA  ))
 ASSI {  355}
   (( segid "BBBB" and resid 72   and name HB2 ))
   (( segid "BBBB" and resid 72   and name HD2 ))
      3.300     1.300     1.300 peak   355 spectrum    1 weight  0.10000E+01 volume  0.26560E-02 ppm1      2.319 ppm2      3.305 CV     1
 OR {  355}
   (( segid "AAAA" and resid 72   and name HB2 ))
   (( segid "AAAA" and resid 72   and name HD2 ))
 ASSI {  356}
   (( segid "AAAA" and resid 78   and name HB2 ))
   (( segid "AAAA" and resid 77   and name HA  ))
      3.000     3.000     3.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.47010E-02 ppm1      1.979 ppm2      3.750 CV     1
 OR {  356}
   (( segid "BBBB" and resid 78   and name HB2 ))
   (( segid "BBBB" and resid 77   and name HA  ))
 OR {  356}
   (( segid "AAAA" and resid 1    and name HB2 ))
   (( segid "BBBB" and resid 55   and name HB2 ))
 OR {  356}
   (( segid "BBBB" and resid 33   and name HB2 ))
   (( segid "BBBB" and resid 28   and name HA2 ))
 ASSI {  359}
   (( segid "BBBB" and resid 16   and name HB  ))
   (( segid "AAAA" and resid 9    and name HA  ))
      2.400     0.700     0.700 peak   359 spectrum    1 weight  0.10000E+01 volume  0.37715E-02 ppm1      2.635 ppm2      4.183 CV     1
 OR {  359}
   (( segid "AAAA" and resid 16   and name HB  ))
   (( segid "BBBB" and resid 9    and name HA  ))
 ASSI {  361}
   (( segid "BBBB" and resid 26   and name HB2 ))
   (( segid "BBBB" and resid 26   and name HD2 ))
      2.500     0.800     0.800 peak   361 spectrum    1 weight  0.10000E+01 volume  0.31824E-02 ppm1      2.037 ppm2      3.264 CV     1
 OR {  361}
   (( segid "AAAA" and resid 26   and name HB2 ))
   (( segid "AAAA" and resid 26   and name HD2 ))
 OR {  361}
   (( segid "AAAA" and resid 37   and name HB2 ))
   (( segid "AAAA" and resid 26   and name HD2 ))
 OR {  361}
   (( segid "BBBB" and resid 37   and name HB2 ))
   (( segid "BBBB" and resid 26   and name HD2 ))
 ASSI {  363}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 54   and name HN  ))
      4.100     2.100     1.900 peak   363 spectrum    1 weight  0.10000E+01 volume  0.10588E-02 ppm1      8.448 ppm2      8.571 CV     1
 OR {  363}
   (( segid "AAAA" and resid 52   and name HN  ))
   (( segid "AAAA" and resid 54   and name HN  ))
 ASSI {  366}
   (( segid "BBBB" and resid 17   and name HB  ))
   (( segid "BBBB" and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   366 spectrum    1 weight  0.10000E+01 volume  0.22811E-02 ppm1      2.260 ppm2      8.243 CV     1
 OR {  366}
   (( segid "AAAA" and resid 17   and name HB  ))
   (( segid "AAAA" and resid 17   and name HN  ))
 ASSI {  367}
   (( segid "BBBB" and resid 89   and name HG2 ))
   (( segid "BBBB" and resid 90   and name HB2 ))
      3.900     1.900     1.900 peak   367 spectrum    1 weight  0.10000E+01 volume  0.24160E-02 ppm1      0.994 ppm2      2.076 CV     1
 OR {  367}
   (( segid "AAAA" and resid 89   and name HG2 ))
   (( segid "AAAA" and resid 90   and name HB2 ))
 ASSI {  371}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 1    and name HA  ))
      3.500     1.500     1.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.25230E-02 ppm1      1.229 ppm2      4.364 CV     1
 OR {  371}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 1    and name HA  ))
 OR {  371}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 2    and name HA  ))
 ASSI {  372}
   (( segid "BBBB" and resid 52   and name HB2 ))
   (( segid "BBBB" and resid 53   and name HA  ))
      4.000     2.000     2.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.28025E-02 ppm1      2.776 ppm2      3.843 CV     1
 OR {  372}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "AAAA" and resid 53   and name HA  ))
 OR {  372}
   (( segid "BBBB" and resid 23   and name HB2 ))
   (( segid "BBBB" and resid 21   and name HA  ))
 OR {  372}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (( segid "AAAA" and resid 21   and name HA  ))
 ASSI {  374}
   (( segid "BBBB" and resid 36   and name HB2 ))
   (( segid "BBBB" and resid 36   and name HA  ))
      3.000     1.200     1.200 peak   374 spectrum    1 weight  0.10000E+01 volume  0.19617E-02 ppm1      2.881 ppm2      4.452 CV     1
 OR {  374}
   (( segid "AAAA" and resid 36   and name HB2 ))
   (( segid "AAAA" and resid 36   and name HA  ))
 ASSI {  375}
   (  segid "AAAA" and resid 21   and name HD% )
   (  segid "AAAA" and resid 23   and name HE% )
      3.100     1.200     1.200 peak   375 spectrum    1 weight  0.10000E+01 volume  0.12551E-02 ppm1      6.702 ppm2      7.020 CV     1
 OR {  375}
   (  segid "BBBB" and resid 21   and name HD% )
   (  segid "BBBB" and resid 23   and name HE% )
 OR {  375}
   (  segid "AAAA" and resid 21   and name HD% )
   (( segid "AAAA" and resid 20   and name HN  ))
 OR {  375}
   (  segid "BBBB" and resid 21   and name HD% )
   (( segid "BBBB" and resid 20   and name HN  ))
 ASSI {  376}
   (( segid "AAAA" and resid 46   and name HA  ))
   (( segid "AAAA" and resid 55   and name HB2 ))
      3.200     1.300     1.300 peak   376 spectrum    1 weight  0.10000E+01 volume  0.36774E-02 ppm1      3.479 ppm2      3.738 CV     1
 OR {  376}
   (( segid "BBBB" and resid 46   and name HA  ))
   (( segid "BBBB" and resid 55   and name HB2 ))
 OR {  376}
   (( segid "BBBB" and resid 42   and name HA  ))
   (( segid "BBBB" and resid 55   and name HB2 ))
 OR {  376}
   (( segid "AAAA" and resid 42   and name HA  ))
   (( segid "AAAA" and resid 55   and name HB2 ))
 OR {  376}
   (( segid "AAAA" and resid 13   and name HA  ))
   (( segid "AAAA" and resid 10   and name HA  ))
 ASSI {  381}
   (( segid "BBBB" and resid 63   and name HG  ))
   (( segid "BBBB" and resid 63   and name HB2 ))
      3.000     1.100     1.100 peak   381 spectrum    1 weight  0.10000E+01 volume  0.17773E-02 ppm1      1.205 ppm2      1.684 CV     1
 OR {  381}
   (( segid "AAAA" and resid 63   and name HG  ))
   (( segid "AAAA" and resid 63   and name HB2 ))
 OR {  381}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 89   and name HB2 ))
 OR {  381}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 89   and name HB2 ))
 OR {  381}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 6    and name HB2 ))
 OR {  381}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 6    and name HB2 ))
 OR {  381}
   (( segid "BBBB" and resid 63   and name HG  ))
   (( segid "BBBB" and resid 39   and name HD2 ))
 ASSI {  383}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 31   and name HA2 ))
      3.000     1.100     1.100 peak   383 spectrum    1 weight  0.10000E+01 volume  0.28919E-02 ppm1      1.709 ppm2      3.855 CV     1
 OR {  383}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 31   and name HA2 ))
 OR {  383}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 31   and name HA1 ))
 OR {  383}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 31   and name HA1 ))
 OR {  383}
   (( segid "AAAA" and resid 93   and name HB2 ))
   (( segid "AAAA" and resid 92   and name HA  ))
 ASSI {  386}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 72   and name HD2 ))
      3.400     1.400     1.400 peak   386 spectrum    1 weight  0.10000E+01 volume  0.32385E-02 ppm1      1.440 ppm2      3.276 CV     1
 OR {  386}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 72   and name HD2 ))
 OR {  386}
   (( segid "BBBB" and resid 61   and name HG2 ))
   (( segid "BBBB" and resid 60   and name HA  ))
 ASSI {  388}
   (( segid "BBBB" and resid 45   and name HG2 ))
   (( segid "BBBB" and resid 42   and name HA  ))
      2.600     0.800     0.800 peak   388 spectrum    1 weight  0.10000E+01 volume  0.14937E-02 ppm1      2.283 ppm2      3.475 CV     1
 OR {  388}
   (( segid "AAAA" and resid 45   and name HG2 ))
   (( segid "AAAA" and resid 42   and name HA  ))
 ASSI {  391}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 63   and name HA  ))
      3.300     1.300     1.300 peak   391 spectrum    1 weight  0.10000E+01 volume  0.39572E-02 ppm1      3.315 ppm2      4.206 CV     1
 OR {  391}
   (( segid "BBBB" and resid 60   and name HA  ))
   (( segid "BBBB" and resid 63   and name HA  ))
 OR {  391}
   (( segid "AAAA" and resid 48   and name HB2 ))
   (( segid "AAAA" and resid 49   and name HA  ))
 OR {  391}
   (( segid "BBBB" and resid 48   and name HB2 ))
   (( segid "BBBB" and resid 49   and name HA  ))
 ASSI {  393}
   (( segid "BBBB" and resid 47   and name HB1 ))
   (( segid "BBBB" and resid 47   and name HD1 ))
      2.900     1.100     1.100 peak   393 spectrum    1 weight  0.10000E+01 volume  0.46022E-02 ppm1      2.026 ppm2      3.170 CV     1
 OR {  393}
   (( segid "AAAA" and resid 47   and name HB1 ))
   (( segid "AAAA" and resid 47   and name HD1 ))
 OR {  393}
   (( segid "BBBB" and resid 47   and name HB2 ))
   (( segid "BBBB" and resid 47   and name HD1 ))
 OR {  393}
   (( segid "AAAA" and resid 47   and name HB2 ))
   (( segid "AAAA" and resid 47   and name HD1 ))
 OR {  393}
   (( segid "BBBB" and resid 47   and name HB1 ))
   (( segid "BBBB" and resid 47   and name HD2 ))
 OR {  393}
   (( segid "AAAA" and resid 47   and name HB1 ))
   (( segid "AAAA" and resid 47   and name HD2 ))
 OR {  393}
   (( segid "AAAA" and resid 47   and name HB2 ))
   (( segid "AAAA" and resid 47   and name HD2 ))
 ASSI {  400}
   (  segid "BBBB" and resid 80   and name HG2%)
   (  segid "BBBB" and resid 21   and name HE% )
      6.500     1.500     1.500 peak   400 spectrum    1 weight  0.10000E+01 volume  0.15076E-02 ppm1      0.783 ppm2      7.102 CV     1
 OR {  400}
   (  segid "AAAA" and resid 80   and name HG2%)
   (  segid "AAAA" and resid 21   and name HE% )
 ASSI {  402}
   (( segid "BBBB" and resid 46   and name HA  ))
   (( segid "BBBB" and resid 53   and name HA  ))
      2.700     0.900     0.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.47973E-02 ppm1      3.479 ppm2      3.832 CV     1
 OR {  402}
   (( segid "AAAA" and resid 46   and name HA  ))
   (( segid "AAAA" and resid 53   and name HA  ))
 OR {  402}
   (( segid "AAAA" and resid 46   and name HA  ))
   (( segid "AAAA" and resid 43   and name HA  ))
 OR {  402}
   (( segid "BBBB" and resid 46   and name HA  ))
   (( segid "BBBB" and resid 43   and name HA  ))
 ASSI {  405}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 86   and name HN  ))
      3.000     1.100     1.100 peak   405 spectrum    1 weight  0.10000E+01 volume  0.16454E-02 ppm1      3.561 ppm2      7.278 CV     1
 OR {  405}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 86   and name HN  ))
 OR {  405}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 86   and name HN  ))
 ASSI {  406}
   (( segid "AAAA" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 45   and name HE22))
      3.600     1.600     1.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.28985E-02 ppm1      0.994 ppm2      6.582 CV     1
 OR {  406}
   (( segid "BBBB" and resid 41   and name HG  ))
   (( segid "BBBB" and resid 45   and name HE22))
 ASSI {  410}
   (( segid "BBBB" and resid 41   and name HG  ))
   (  segid "BBBB" and resid 23   and name HD% )
      2.500     2.500     3.500 peak   410 spectrum    1 weight  0.10000E+01 volume  0.24015E-02 ppm1      0.994 ppm2      6.868 CV     1
 OR {  410}
   (( segid "AAAA" and resid 41   and name HG  ))
   (  segid "AAAA" and resid 23   and name HD% )
 ASSI {  411}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (( segid "BBBB" and resid 46   and name HB2 ))
      3.800     1.900     1.900 peak   411 spectrum    1 weight  0.10000E+01 volume  0.13821E-02 ppm1      1.088 ppm2      1.684 CV     1
 OR {  411}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 46   and name HB2 ))
 OR {  411}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 39   and name HD2 ))
 ASSI {  418}
   (( segid "BBBB" and resid 17   and name HA  ))
   (  segid "BBBB" and resid 76   and name HD% )
      3.500     3.500     2.500 peak   418 spectrum    1 weight  0.10000E+01 volume  0.21273E-02 ppm1      4.135 ppm2      6.880 CV     1
 OR {  418}
   (( segid "AAAA" and resid 17   and name HA  ))
   (  segid "AAAA" and resid 76   and name HD% )
 OR {  418}
   (( segid "BBBB" and resid 86   and name HA  ))
   (  segid "AAAA" and resid 76   and name HD% )
 OR {  418}
   (( segid "AAAA" and resid 86   and name HA  ))
   (  segid "BBBB" and resid 76   and name HD% )
 OR {  418}
   (( segid "AAAA" and resid 9    and name HA  ))
   (  segid "BBBB" and resid 76   and name HD% )
 OR {  418}
   (( segid "AAAA" and resid 17   and name HA  ))
   (( segid "AAAA" and resid 79   and name HN  ))
 OR {  418}
   (( segid "BBBB" and resid 17   and name HA  ))
   (( segid "BBBB" and resid 79   and name HN  ))
 OR {  418}
   (( segid "BBBB" and resid 38   and name HA  ))
   (( segid "BBBB" and resid 67   and name HE22))
 OR {  418}
   (( segid "AAAA" and resid 38   and name HA  ))
   (( segid "AAAA" and resid 67   and name HE22))
 ASSI {  419}
   (( segid "BBBB" and resid 98   and name HG2 ))
   (( segid "BBBB" and resid 95   and name HB  ))
      3.200     1.300     1.300 peak   419 spectrum    1 weight  0.10000E+01 volume  0.69345E-03 ppm1      1.311 ppm2      1.760 CV     1
 OR {  419}
   (( segid "AAAA" and resid 98   and name HG2 ))
   (( segid "AAAA" and resid 95   and name HB  ))
 OR {  419}
   (( segid "AAAA" and resid 97   and name HG2 ))
   (( segid "BBBB" and resid 29   and name HG2 ))
 ASSI {  423}
   (( segid "AAAA" and resid 13   and name HG12))
   (( segid "AAAA" and resid 16   and name HB  ))
      3.700     1.700     1.700 peak   423 spectrum    1 weight  0.10000E+01 volume  0.24781E-02 ppm1      1.815 ppm2      2.638 CV     1
 OR {  423}
   (( segid "BBBB" and resid 13   and name HG12))
   (( segid "BBBB" and resid 16   and name HB  ))
 OR {  423}
   (( segid "AAAA" and resid 83   and name HB2 ))
   (( segid "AAAA" and resid 16   and name HB  ))
 ASSI {  427}
   (( segid "BBBB" and resid 47   and name HD1 ))
   (( segid "BBBB" and resid 46   and name HA  ))
      3.600     1.600     1.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.14797E-02 ppm1      3.209 ppm2      3.463 CV     1
 OR {  427}
   (( segid "AAAA" and resid 47   and name HD1 ))
   (( segid "AAAA" and resid 46   and name HA  ))
 OR {  427}
   (( segid "AAAA" and resid 47   and name HD2 ))
   (( segid "AAAA" and resid 46   and name HA  ))
 OR {  427}
   (( segid "BBBB" and resid 47   and name HD2 ))
   (( segid "BBBB" and resid 46   and name HA  ))
 ASSI {  429}
   (( segid "AAAA" and resid 89   and name HG2 ))
   (( segid "BBBB" and resid 6    and name HA  ))
      3.000     1.100     1.100 peak   429 spectrum    1 weight  0.10000E+01 volume  0.15149E-02 ppm1      0.983 ppm2      4.370 CV     1
 OR {  429}
   (( segid "BBBB" and resid 89   and name HG2 ))
   (( segid "AAAA" and resid 6    and name HA  ))
 OR {  429}
   (( segid "BBBB" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 2    and name HA  ))
 ASSI {  431}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (  segid "BBBB" and resid 21   and name HD% )
      4.300     2.300     1.700 peak   431 spectrum    1 weight  0.10000E+01 volume  0.87243E-03 ppm1      0.877 ppm2      6.704 CV     1
 OR {  431}
   (( segid "AAAA" and resid 22   and name HG1 ))
   (  segid "AAAA" and resid 21   and name HD% )
 OR {  431}
   (  segid "AAAA" and resid 95   and name HG2%)
   (  segid "BBBB" and resid 76   and name HE% )
 ASSI {  433}
   (( segid "BBBB" and resid 4    and name HG2 ))
   (( segid "AAAA" and resid 52   and name HB2 ))
      3.900     1.900     1.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.28571E-02 ppm1      2.166 ppm2      2.773 CV     1
 OR {  433}
   (( segid "AAAA" and resid 4    and name HG2 ))
   (( segid "BBBB" and resid 52   and name HB2 ))
 ASSI {  437}
   (( segid "BBBB" and resid 80   and name HA  ))
   (( segid "BBBB" and resid 77   and name HA  ))
      3.600     1.600     1.600 peak   437 spectrum    1 weight  0.10000E+01 volume  0.20559E-02 ppm1      3.256 ppm2      3.738 CV     1
 OR {  437}
   (( segid "AAAA" and resid 80   and name HA  ))
   (( segid "AAAA" and resid 77   and name HA  ))
 ASSI {  441}
   (( segid "AAAA" and resid 72   and name HA  ))
   (( segid "AAAA" and resid 32   and name HA  ))
      3.900     1.900     1.900 peak   441 spectrum    1 weight  0.10000E+01 volume  0.13094E-02 ppm1      4.909 ppm2      5.160 CV     1
 OR {  441}
   (( segid "BBBB" and resid 72   and name HA  ))
   (( segid "BBBB" and resid 32   and name HA  ))
 ASSI {  442}
   (( segid "BBBB" and resid 51   and name HB2 ))
   (( segid "BBBB" and resid 51   and name HN  ))
      2.800     1.000     1.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.24744E-02 ppm1      1.791 ppm2      7.102 CV     1
 OR {  442}
   (( segid "AAAA" and resid 51   and name HB2 ))
   (( segid "AAAA" and resid 51   and name HN  ))
 OR {  442}
   (( segid "BBBB" and resid 29   and name HG2 ))
   (  segid "BBBB" and resid 73   and name HE% )
 OR {  442}
   (( segid "AAAA" and resid 29   and name HG2 ))
   (  segid "AAAA" and resid 73   and name HE% )
 OR {  442}
   (( segid "BBBB" and resid 13   and name HG12))
   (  segid "BBBB" and resid 21   and name HE% )
 ASSI {  443}
   (( segid "AAAA" and resid 36   and name HB2 ))
   (  segid "AAAA" and resid 23   and name HD% )
      3.800     1.800     1.800 peak   443 spectrum    1 weight  0.10000E+01 volume  0.27735E-02 ppm1      2.893 ppm2      6.874 CV     1
 OR {  443}
   (( segid "BBBB" and resid 36   and name HB2 ))
   (  segid "BBBB" and resid 23   and name HD% )
 ASSI {  445}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 59   and name HN  ))
      3.500     1.600     1.600 peak   445 spectrum    1 weight  0.10000E+01 volume  0.21073E-02 ppm1      1.205 ppm2      7.933 CV     1
 OR {  445}
   (( segid "BBBB" and resid 15   and name HG1 ))
   (( segid "AAAA" and resid 12   and name HN  ))
 OR {  445}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 59   and name HN  ))
 OR {  445}
   (( segid "AAAA" and resid 15   and name HG1 ))
   (( segid "BBBB" and resid 12   and name HN  ))
 OR {  445}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 5    and name HN  ))
 OR {  445}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 5    and name HN  ))
 ASSI {  450}
   (  segid "BBBB" and resid 20   and name HD% )
   (( segid "BBBB" and resid 20   and name HN  ))
      3.700     1.700     1.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.13591E-02 ppm1      6.573 ppm2      6.974 CV     1
 OR {  450}
   (  segid "AAAA" and resid 20   and name HD% )
   (( segid "AAAA" and resid 20   and name HN  ))
 OR {  450}
   (  segid "BBBB" and resid 20   and name HD% )
   (  segid "BBBB" and resid 23   and name HE% )
 ASSI {  451}
   (( segid "AAAA" and resid 47   and name HD2 ))
   (( segid "AAAA" and resid 44   and name HA  ))
      3.300     1.300     1.300 peak   451 spectrum    1 weight  0.10000E+01 volume  0.10876E-02 ppm1      3.186 ppm2      4.241 CV     1
 OR {  451}
   (( segid "BBBB" and resid 47   and name HD2 ))
   (( segid "BBBB" and resid 44   and name HA  ))
 OR {  451}
   (( segid "AAAA" and resid 47   and name HD1 ))
   (( segid "AAAA" and resid 44   and name HA  ))
 OR {  451}
   (( segid "BBBB" and resid 47   and name HD1 ))
   (( segid "BBBB" and resid 44   and name HA  ))
 ASSI {  454}
   (( segid "BBBB" and resid 31   and name HA1 ))
   (( segid "BBBB" and resid 30   and name HA  ))
      3.900     1.900     1.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.77583E-03 ppm1      3.889 ppm2      4.411 CV     1
 OR {  454}
   (( segid "AAAA" and resid 31   and name HA1 ))
   (( segid "AAAA" and resid 30   and name HA  ))
 OR {  454}
   (( segid "BBBB" and resid 31   and name HA2 ))
   (( segid "BBBB" and resid 30   and name HA  ))
 OR {  454}
   (( segid "AAAA" and resid 31   and name HA2 ))
   (( segid "AAAA" and resid 30   and name HA  ))
 OR {  454}
   (( segid "AAAA" and resid 14   and name HA  ))
   (( segid "AAAA" and resid 15   and name HB  ))
 OR {  454}
   (( segid "BBBB" and resid 14   and name HA  ))
   (( segid "BBBB" and resid 15   and name HB  ))
 OR {  454}
   (( segid "AAAA" and resid 31   and name HA2 ))
   (( segid "AAAA" and resid 75   and name HA  ))
 ASSI {  459}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (  segid "AAAA" and resid 20   and name HE% )
      3.100     1.200     1.200 peak   459 spectrum    1 weight  0.10000E+01 volume  0.23973E-02 ppm1      2.740 ppm2      7.079 CV     1
 OR {  459}
   (( segid "BBBB" and resid 23   and name HB2 ))
   (  segid "BBBB" and resid 20   and name HE% )
 ASSI {  460}
   (( segid "AAAA" and resid 67   and name HB2 ))
   (( segid "AAAA" and resid 34   and name HB2 ))
      3.600     1.700     1.700 peak   460 spectrum    1 weight  0.10000E+01 volume  0.12065E-02 ppm1      2.119 ppm2      3.451 CV     1
 OR {  460}
   (( segid "BBBB" and resid 67   and name HB2 ))
   (( segid "BBBB" and resid 34   and name HB2 ))
 OR {  460}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 13   and name HA  ))
 ASSI {  461}
   (( segid "BBBB" and resid 66   and name HB2 ))
   (( segid "BBBB" and resid 63   and name HA  ))
      2.900     1.000     1.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.21315E-02 ppm1      3.221 ppm2      4.194 CV     1
 OR {  461}
   (( segid "AAAA" and resid 66   and name HB2 ))
   (( segid "AAAA" and resid 63   and name HA  ))
 OR {  461}
   (( segid "AAAA" and resid 47   and name HD1 ))
   (( segid "AAAA" and resid 47   and name HA  ))
 OR {  461}
   (( segid "BBBB" and resid 47   and name HD1 ))
   (( segid "BBBB" and resid 47   and name HA  ))
 OR {  461}
   (( segid "AAAA" and resid 47   and name HD2 ))
   (( segid "AAAA" and resid 47   and name HA  ))
 ASSI {  464}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 14   and name HN  ))
      2.900     1.000     1.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.19257E-02 ppm1      2.061 ppm2      8.401 CV     1
 OR {  464}
   (( segid "AAAA" and resid 14   and name HB2 ))
   (( segid "AAAA" and resid 14   and name HN  ))
 OR {  464}
   (( segid "BBBB" and resid 53   and name HB  ))
   (( segid "BBBB" and resid 52   and name HN  ))
 ASSI {  465}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "AAAA" and resid 7    and name HB  ))
      3.300     1.400     1.400 peak   465 spectrum    1 weight  0.10000E+01 volume  0.21087E-02 ppm1      3.080 ppm2      4.932 CV     1
 OR {  465}
   (( segid "AAAA" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 7    and name HB  ))
 OR {  465}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 70   and name HA  ))
 OR {  465}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 70   and name HA  ))
 OR {  465}
   (( segid "BBBB" and resid 68   and name HB2 ))
   (( segid "BBBB" and resid 70   and name HA  ))
 OR {  465}
   (( segid "AAAA" and resid 68   and name HB2 ))
   (( segid "AAAA" and resid 70   and name HA  ))
 OR {  465}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 34   and name HA  ))
 ASSI {  467}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 43   and name HA  ))
      3.900     1.900     1.900 peak   467 spectrum    1 weight  0.10000E+01 volume  0.15010E-02 ppm1      2.530 ppm2      3.832 CV     1
 OR {  467}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 43   and name HA  ))
 ASSI {  468}
   (( segid "AAAA" and resid 57   and name HB2 ))
   (( segid "AAAA" and resid 56   and name HA  ))
      3.900     1.900     1.900 peak   468 spectrum    1 weight  0.10000E+01 volume  0.18898E-02 ppm1      2.506 ppm2      3.328 CV     1
 OR {  468}
   (( segid "BBBB" and resid 57   and name HB2 ))
   (( segid "BBBB" and resid 56   and name HA  ))
 OR {  468}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 60   and name HA  ))
 OR {  468}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 60   and name HA  ))
 OR {  468}
   (( segid "AAAA" and resid 57   and name HB2 ))
   (( segid "AAAA" and resid 60   and name HA  ))
 ASSI {  469}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 24   and name HN  ))
      3.700     1.700     1.700 peak   469 spectrum    1 weight  0.10000E+01 volume  0.13304E-02 ppm1      7.323 ppm2      8.501 CV     1
 OR {  469}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 24   and name HN  ))
 OR {  469}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 42   and name HN  ))
 ASSI {  470}
   (( segid "BBBB" and resid 63   and name HG  ))
   (( segid "BBBB" and resid 60   and name HA  ))
      3.800     1.800     1.800 peak   470 spectrum    1 weight  0.10000E+01 volume  0.24178E-02 ppm1      1.205 ppm2      3.328 CV     1
 OR {  470}
   (( segid "AAAA" and resid 63   and name HG  ))
   (( segid "AAAA" and resid 60   and name HA  ))
 OR {  470}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 56   and name HA  ))
 OR {  470}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (( segid "AAAA" and resid 21   and name HB2 ))
 OR {  470}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 56   and name HA  ))
 ASSI {  472}
   (( segid "BBBB" and resid 8    and name HB2 ))
   (( segid "BBBB" and resid 7    and name HB  ))
      3.300     1.300     1.300 peak   472 spectrum    1 weight  0.10000E+01 volume  0.24805E-02 ppm1      2.084 ppm2      4.961 CV     1
 OR {  472}
   (( segid "AAAA" and resid 8    and name HB2 ))
   (( segid "AAAA" and resid 7    and name HB  ))
 OR {  472}
   (( segid "BBBB" and resid 70   and name HG2 ))
   (( segid "BBBB" and resid 70   and name HA  ))
 OR {  472}
   (( segid "AAAA" and resid 70   and name HG2 ))
   (( segid "AAAA" and resid 70   and name HA  ))
 ASSI {  473}
   (( segid "BBBB" and resid 46   and name HA  ))
   (( segid "BBBB" and resid 53   and name HA  ))
      3.000     1.100     1.100 peak   473 spectrum    1 weight  0.10000E+01 volume  0.25694E-02 ppm1      3.420 ppm2      3.837 CV     1
 OR {  473}
   (( segid "AAAA" and resid 46   and name HA  ))
   (( segid "AAAA" and resid 53   and name HA  ))
 OR {  473}
   (( segid "AAAA" and resid 46   and name HA  ))
   (( segid "AAAA" and resid 43   and name HA  ))
 OR {  473}
   (( segid "BBBB" and resid 46   and name HA  ))
   (( segid "BBBB" and resid 43   and name HA  ))
 OR {  473}
   (( segid "BBBB" and resid 42   and name HA  ))
   (( segid "BBBB" and resid 53   and name HA  ))
 ASSI {  474}
   (( segid "AAAA" and resid 36   and name HB2 ))
   (( segid "AAAA" and resid 38   and name HB2 ))
      5.800     4.300     0.200 peak   474 spectrum    1 weight  0.10000E+01 volume  0.11904E-03 ppm1      2.905 ppm2      3.106 CV     1
 OR {  474}
   (( segid "BBBB" and resid 36   and name HB2 ))
   (( segid "BBBB" and resid 38   and name HB2 ))
 ASSI {  475}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 71   and name HA  ))
      3.900     1.900     1.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.14477E-02 ppm1      1.533 ppm2      5.745 CV     1
 OR {  475}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 71   and name HA  ))
 OR {  475}
   (( segid "AAAA" and resid 33   and name HG  ))
   (( segid "AAAA" and resid 71   and name HA  ))
 OR {  475}
   (( segid "BBBB" and resid 33   and name HG  ))
   (( segid "BBBB" and resid 71   and name HA  ))
 ASSI {  476}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 87   and name HA  ))
      3.800     1.800     1.800 peak   476 spectrum    1 weight  0.10000E+01 volume  0.10819E-02 ppm1      3.701 ppm2      4.300 CV     1
 OR {  476}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 87   and name HA  ))
 OR {  476}
   (( segid "BBBB" and resid 10   and name HA  ))
   (( segid "AAAA" and resid 87   and name HA  ))
 OR {  476}
   (( segid "AAAA" and resid 10   and name HA  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {  476}
   (( segid "BBBB" and resid 54   and name HA2 ))
   (( segid "AAAA" and resid 3    and name HA  ))
 OR {  476}
   (( segid "AAAA" and resid 32   and name HB2 ))
   (( segid "AAAA" and resid 69   and name HA  ))
 OR {  476}
   (( segid "BBBB" and resid 32   and name HB2 ))
   (( segid "BBBB" and resid 69   and name HA  ))
 ASSI {  480}
   (( segid "AAAA" and resid 37   and name HG2 ))
   (( segid "AAAA" and resid 23   and name HB2 ))
      3.500     1.600     1.600 peak   480 spectrum    1 weight  0.10000E+01 volume  0.17900E-02 ppm1      2.377 ppm2      2.773 CV     1
 OR {  480}
   (( segid "BBBB" and resid 37   and name HG2 ))
   (( segid "BBBB" and resid 23   and name HB2 ))
 ASSI {  481}
   (( segid "BBBB" and resid 17   and name HA  ))
   (  segid "BBBB" and resid 21   and name HD% )
      2.800     1.000     1.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.17775E-02 ppm1      4.147 ppm2      6.704 CV     1
 OR {  481}
   (( segid "AAAA" and resid 17   and name HA  ))
   (  segid "AAAA" and resid 21   and name HD% )
 ASSI {  483}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (( segid "AAAA" and resid 65   and name HB  ))
      3.700     1.700     1.700 peak   483 spectrum    1 weight  0.10000E+01 volume  0.18606E-02 ppm1      1.194 ppm2      2.199 CV     1
 OR {  483}
   (( segid "BBBB" and resid 62   and name HG1 ))
   (( segid "BBBB" and resid 65   and name HB  ))
 OR {  483}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 4    and name HG2 ))
 OR {  483}
   (( segid "BBBB" and resid 63   and name HG  ))
   (( segid "BBBB" and resid 60   and name HG2 ))
 OR {  483}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 4    and name HG2 ))
 OR {  483}
   (( segid "AAAA" and resid 63   and name HG  ))
   (( segid "AAAA" and resid 60   and name HG2 ))
 ASSI {  484}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 60   and name HG2 ))
      4.000     2.000     2.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.16302E-02 ppm1      1.311 ppm2      2.182 CV     1
 OR {  484}
   (( segid "AAAA" and resid 39   and name HG2 ))
   (( segid "AAAA" and resid 60   and name HG2 ))
 OR {  484}
   (( segid "BBBB" and resid 51   and name HG2 ))
   (( segid "AAAA" and resid 4    and name HG2 ))
 OR {  484}
   (( segid "AAAA" and resid 51   and name HG2 ))
   (( segid "BBBB" and resid 4    and name HG2 ))
 OR {  484}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 40   and name HB2 ))
 ASSI {  485}
   (( segid "BBBB" and resid 30   and name HB2 ))
   (( segid "BBBB" and resid 73   and name HB2 ))
      4.100     2.100     1.900 peak   485 spectrum    1 weight  0.10000E+01 volume  0.12622E-02 ppm1      1.885 ppm2      3.018 CV     1
 OR {  485}
   (( segid "AAAA" and resid 30   and name HB2 ))
   (( segid "AAAA" and resid 73   and name HB2 ))
 OR {  485}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 77   and name HB2 ))
 OR {  485}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 77   and name HB2 ))
 ASSI {  488}
   (( segid "AAAA" and resid 11   and name HA  ))
   (( segid "AAAA" and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   488 spectrum    1 weight  0.10000E+01 volume  0.14528E-02 ppm1      4.123 ppm2      9.285 CV     1
 OR {  488}
   (( segid "BBBB" and resid 11   and name HA  ))
   (( segid "BBBB" and resid 11   and name HN  ))
 OR {  488}
   (( segid "AAAA" and resid 8    and name HA  ))
   (( segid "AAAA" and resid 11   and name HN  ))
 ASSI {  491}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 66   and name HB2 ))
      4.500     2.500     1.500 peak   491 spectrum    1 weight  0.10000E+01 volume  0.29724E-03 ppm1      3.057 ppm2      3.252 CV     1
 OR {  491}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 66   and name HB2 ))
 ASSI {  493}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 77   and name HA  ))
      3.600     1.700     1.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.13609E-02 ppm1      0.760 ppm2      3.738 CV     1
 OR {  493}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 77   and name HA  ))
 ASSI {  494}
   (( segid "BBBB" and resid 67   and name HG2 ))
   (( segid "BBBB" and resid 64   and name HB2 ))
      2.700     2.700     3.300 peak   494 spectrum    1 weight  0.10000E+01 volume  0.18179E-02 ppm1      2.283 ppm2      2.895 CV     1
 OR {  494}
   (( segid "AAAA" and resid 67   and name HG2 ))
   (( segid "AAAA" and resid 64   and name HB2 ))
 OR {  494}
   (( segid "AAAA" and resid 58   and name HG2 ))
   (( segid "AAAA" and resid 64   and name HB2 ))
 OR {  494}
   (( segid "BBBB" and resid 58   and name HG2 ))
   (( segid "BBBB" and resid 64   and name HB2 ))
 OR {  494}
   (( segid "AAAA" and resid 67   and name HG2 ))
   (( segid "AAAA" and resid 36   and name HB2 ))
 ASSI {  496}
   (( segid "BBBB" and resid 14   and name HA  ))
   (( segid "BBBB" and resid 14   and name HN  ))
      3.000     1.200     1.200 peak   496 spectrum    1 weight  0.10000E+01 volume  0.11463E-02 ppm1      3.889 ppm2      8.401 CV     1
 OR {  496}
   (( segid "AAAA" and resid 14   and name HA  ))
   (( segid "AAAA" and resid 14   and name HN  ))
 ASSI {  497}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "AAAA" and resid 59   and name HN  ))
      3.000     1.200     1.200 peak   497 spectrum    1 weight  0.10000E+01 volume  0.14191E-02 ppm1      4.123 ppm2      7.945 CV     1
 OR {  497}
   (( segid "BBBB" and resid 59   and name HA  ))
   (( segid "BBBB" and resid 59   and name HN  ))
 OR {  497}
   (( segid "BBBB" and resid 11   and name HA  ))
   (( segid "BBBB" and resid 12   and name HN  ))
 OR {  497}
   (( segid "AAAA" and resid 11   and name HA  ))
   (( segid "AAAA" and resid 12   and name HN  ))
 OR {  497}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 87   and name HN  ))
 OR {  497}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 87   and name HN  ))
 ASSI {  499}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
      3.900     1.900     1.900 peak   499 spectrum    1 weight  0.10000E+01 volume  0.19719E-02 ppm1      1.580 ppm2      2.533 CV     1
 OR {  499}
   (( segid "AAAA" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 ASSI {  501}
   (( segid "BBBB" and resid 24   and name HA  ))
   (( segid "BBBB" and resid 23   and name HA  ))
      5.300     3.500     0.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.14045E-03 ppm1      3.655 ppm2      3.914 CV     1
 OR {  501}
   (( segid "AAAA" and resid 24   and name HA  ))
   (( segid "AAAA" and resid 23   and name HA  ))
 OR {  501}
   (( segid "BBBB" and resid 24   and name HA  ))
   (( segid "BBBB" and resid 26   and name HA  ))
 OR {  501}
   (( segid "AAAA" and resid 24   and name HA  ))
   (( segid "AAAA" and resid 26   and name HA  ))
 OR {  501}
   (( segid "AAAA" and resid 24   and name HA  ))
   (( segid "AAAA" and resid 29   and name HA  ))
 OR {  501}
   (( segid "AAAA" and resid 32   and name HB2 ))
   (( segid "AAAA" and resid 29   and name HA  ))
 ASSI {  502}
   (( segid "BBBB" and resid 10   and name HA  ))
   (( segid "AAAA" and resid 86   and name HA  ))
      4.100     2.100     1.900 peak   502 spectrum    1 weight  0.10000E+01 volume  0.97069E-03 ppm1      3.737 ppm2      4.118 CV     1
 OR {  502}
   (( segid "AAAA" and resid 10   and name HA  ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {  502}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 76   and name HA  ))
 OR {  502}
   (( segid "BBBB" and resid 10   and name HA  ))
   (( segid "BBBB" and resid 11   and name HA  ))
 OR {  502}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 76   and name HA  ))
 OR {  502}
   (( segid "AAAA" and resid 55   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HA  ))
 ASSI {  504}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (( segid "AAAA" and resid 26   and name HD2 ))
      3.800     1.800     1.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.23512E-02 ppm1      2.729 ppm2      3.247 CV     1
 OR {  504}
   (( segid "BBBB" and resid 23   and name HB2 ))
   (( segid "BBBB" and resid 26   and name HD2 ))
 ASSI {  506}
   (( segid "AAAA" and resid 13   and name HB  ))
   (( segid "AAAA" and resid 13   and name HA  ))
      3.300     1.300     1.300 peak   506 spectrum    1 weight  0.10000E+01 volume  0.86165E-03 ppm1      1.967 ppm2      3.457 CV     1
 OR {  506}
   (( segid "BBBB" and resid 13   and name HB  ))
   (( segid "BBBB" and resid 13   and name HA  ))
 ASSI {  511}
   (( segid "BBBB" and resid 10   and name HG2 ))
   (( segid "BBBB" and resid 10   and name HA  ))
      3.500     1.500     1.500 peak   511 spectrum    1 weight  0.10000E+01 volume  0.24218E-02 ppm1      2.436 ppm2      3.732 CV     1
 OR {  511}
   (( segid "AAAA" and resid 10   and name HG2 ))
   (( segid "AAAA" and resid 10   and name HA  ))
 ASSI {  512}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 79   and name HN  ))
      3.100     1.200     1.200 peak   512 spectrum    1 weight  0.10000E+01 volume  0.16914E-02 ppm1      3.760 ppm2      6.868 CV     1
 OR {  512}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 79   and name HN  ))
 OR {  512}
   (( segid "AAAA" and resid 77   and name HA  ))
   (  segid "AAAA" and resid 76   and name HD% )
 ASSI {  515}
   (( segid "AAAA" and resid 44   and name HB2 ))
   (( segid "AAAA" and resid 44   and name HN  ))
      2.900     1.100     1.100 peak   515 spectrum    1 weight  0.10000E+01 volume  0.25887E-02 ppm1      2.342 ppm2      8.413 CV     1
 OR {  515}
   (( segid "BBBB" and resid 44   and name HB2 ))
   (( segid "BBBB" and resid 44   and name HN  ))
 ASSI {  516}
   (( segid "AAAA" and resid 70   and name HB2 ))
   (( segid "AAAA" and resid 24   and name HN  ))
      3.400     1.500     1.500 peak   516 spectrum    1 weight  0.10000E+01 volume  0.22471E-02 ppm1      1.721 ppm2      8.501 CV     1
 OR {  516}
   (( segid "BBBB" and resid 70   and name HB2 ))
   (( segid "BBBB" and resid 24   and name HN  ))
 OR {  516}
   (( segid "AAAA" and resid 39   and name HD2 ))
   (( segid "AAAA" and resid 42   and name HN  ))
 OR {  516}
   (( segid "BBBB" and resid 27   and name HB2 ))
   (( segid "BBBB" and resid 37   and name HN  ))
 OR {  516}
   (( segid "BBBB" and resid 39   and name HD2 ))
   (( segid "BBBB" and resid 42   and name HN  ))
 ASSI {  517}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (  segid "BBBB" and resid 20   and name HD% )
      3.900     1.900     1.900 peak   517 spectrum    1 weight  0.10000E+01 volume  0.13831E-02 ppm1      1.276 ppm2      6.587 CV     1
 OR {  517}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (  segid "AAAA" and resid 20   and name HD% )
 ASSI {  521}
   (( segid "BBBB" and resid 59   and name HD2 ))
   (( segid "BBBB" and resid 55   and name HA  ))
      3.000     1.200     1.200 peak   521 spectrum    1 weight  0.10000E+01 volume  0.11615E-02 ppm1      3.127 ppm2      3.966 CV     1
 OR {  521}
   (( segid "AAAA" and resid 59   and name HD2 ))
   (( segid "AAAA" and resid 55   and name HA  ))
 OR {  521}
   (( segid "AAAA" and resid 51   and name HE2 ))
   (( segid "AAAA" and resid 51   and name HA  ))
 OR {  521}
   (( segid "BBBB" and resid 51   and name HE2 ))
   (( segid "BBBB" and resid 51   and name HA  ))
 OR {  521}
   (( segid "BBBB" and resid 68   and name HB2 ))
   (( segid "BBBB" and resid 78   and name HA  ))
 ASSI {  525}
   (( segid "AAAA" and resid 59   and name HD2 ))
   (( segid "AAAA" and resid 54   and name HA2 ))
      3.200     1.300     1.300 peak   525 spectrum    1 weight  0.10000E+01 volume  0.15319E-02 ppm1      3.069 ppm2      3.750 CV     1
 OR {  525}
   (( segid "AAAA" and resid 59   and name HD2 ))
   (( segid "AAAA" and resid 55   and name HB2 ))
 OR {  525}
   (( segid "BBBB" and resid 59   and name HD2 ))
   (( segid "BBBB" and resid 55   and name HB2 ))
 OR {  525}
   (( segid "BBBB" and resid 68   and name HB2 ))
   (( segid "BBBB" and resid 77   and name HA  ))
 OR {  525}
   (( segid "AAAA" and resid 68   and name HB2 ))
   (( segid "AAAA" and resid 77   and name HA  ))
 ASSI {  527}
   (( segid "AAAA" and resid 34   and name HB2 ))
   (( segid "AAAA" and resid 34   and name HA  ))
      2.900     1.000     1.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.18129E-02 ppm1      3.467 ppm2      4.926 CV     1
 OR {  527}
   (( segid "BBBB" and resid 34   and name HB2 ))
   (( segid "BBBB" and resid 34   and name HA  ))
 ASSI {  529}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 70   and name HA  ))
      3.900     1.900     1.900 peak   529 spectrum    1 weight  0.10000E+01 volume  0.11790E-02 ppm1      1.522 ppm2      4.978 CV     1
 OR {  529}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 70   and name HA  ))
 ASSI {  530}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 2    and name HA  ))
      4.200     2.200     1.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.13645E-02 ppm1      3.057 ppm2      4.382 CV     1
 OR {  530}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 2    and name HA  ))
 OR {  530}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "BBBB" and resid 6    and name HA  ))
 OR {  530}
   (( segid "BBBB" and resid 85   and name HE2 ))
   (( segid "AAAA" and resid 6    and name HA  ))
 ASSI {  531}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 1    and name HB2 ))
      3.600     1.600     1.600 peak   531 spectrum    1 weight  0.10000E+01 volume  0.11560E-02 ppm1      1.088 ppm2      2.018 CV     1
 OR {  531}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "BBBB" and resid 1    and name HB2 ))
 OR {  531}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 39   and name HB2 ))
 ASSI {  532}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "AAAA" and resid 7    and name HA  ))
      3.300     1.400     1.400 peak   532 spectrum    1 weight  0.10000E+01 volume  0.61719E-03 ppm1      1.416 ppm2      4.493 CV     1
 OR {  532}
   (  segid "BBBB" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 7    and name HA  ))
 OR {  532}
   (( segid "BBBB" and resid 49   and name HG  ))
   (( segid "BBBB" and resid 50   and name HA  ))
 ASSI {  534}
   (( segid "BBBB" and resid 39   and name HB2 ))
   (( segid "BBBB" and resid 39   and name HN  ))
      2.800     1.000     1.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.22218E-02 ppm1      1.967 ppm2      8.407 CV     1
 OR {  534}
   (( segid "AAAA" and resid 39   and name HB2 ))
   (( segid "AAAA" and resid 39   and name HN  ))
 OR {  534}
   (( segid "AAAA" and resid 13   and name HB  ))
   (( segid "AAAA" and resid 14   and name HN  ))
 OR {  534}
   (( segid "BBBB" and resid 13   and name HB  ))
   (( segid "BBBB" and resid 14   and name HN  ))
 OR {  534}
   (( segid "AAAA" and resid 1    and name HB2 ))
   (( segid "BBBB" and resid 39   and name HN  ))
 OR {  534}
   (( segid "BBBB" and resid 1    and name HB2 ))
   (( segid "AAAA" and resid 39   and name HN  ))
 ASSI {  535}
   (( segid "AAAA" and resid 13   and name HA  ))
   (( segid "AAAA" and resid 17   and name HA  ))
      3.300     1.400     1.400 peak   535 spectrum    1 weight  0.10000E+01 volume  0.28703E-02 ppm1      3.467 ppm2      4.165 CV     1
 OR {  535}
   (( segid "BBBB" and resid 13   and name HA  ))
   (( segid "BBBB" and resid 17   and name HA  ))
 OR {  535}
   (( segid "BBBB" and resid 13   and name HA  ))
   (( segid "AAAA" and resid 9    and name HA  ))
 OR {  535}
   (( segid "AAAA" and resid 13   and name HA  ))
   (( segid "BBBB" and resid 9    and name HA  ))
 OR {  535}
   (( segid "AAAA" and resid 42   and name HA  ))
   (( segid "AAAA" and resid 59   and name HA  ))
 OR {  535}
   (( segid "BBBB" and resid 42   and name HA  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  535}
   (( segid "AAAA" and resid 46   and name HA  ))
   (( segid "AAAA" and resid 47   and name HA  ))
 OR {  535}
   (( segid "BBBB" and resid 46   and name HA  ))
   (( segid "BBBB" and resid 47   and name HA  ))
 ASSI {  536}
   (( segid "AAAA" and resid 71   and name HB2 ))
   (( segid "AAAA" and resid 75   and name HN  ))
      3.700     1.700     1.700 peak   536 spectrum    1 weight  0.10000E+01 volume  0.15090E-02 ppm1      2.143 ppm2      7.102 CV     1
 OR {  536}
   (( segid "BBBB" and resid 71   and name HB2 ))
   (( segid "BBBB" and resid 75   and name HN  ))
 OR {  536}
   (( segid "AAAA" and resid 71   and name HB2 ))
   (  segid "AAAA" and resid 21   and name HE% )
 ASSI {  537}
   (( segid "AAAA" and resid 51   and name HE2 ))
   (( segid "AAAA" and resid 48   and name HB2 ))
      4.000     2.000     2.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.27955E-03 ppm1      3.115 ppm2      3.311 CV     1
 OR {  537}
   (( segid "BBBB" and resid 51   and name HE2 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 OR {  537}
   (( segid "AAAA" and resid 59   and name HD2 ))
   (( segid "AAAA" and resid 56   and name HA  ))
 OR {  537}
   (( segid "BBBB" and resid 59   and name HD2 ))
   (( segid "BBBB" and resid 56   and name HA  ))
 ASSI {  542}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 40   and name HG2 ))
      1.900     1.900     4.100 peak   542 spectrum    1 weight  0.10000E+01 volume  0.32299E-01 ppm1      2.576 ppm2      2.486 CV     1
 OR {  542}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 40   and name HG2 ))
 ASSI {  544}
   (( segid "BBBB" and resid 29   and name HA  ))
   (( segid "BBBB" and resid 28   and name HA2 ))
      2.700     0.900     0.900 peak   544 spectrum    1 weight  0.10000E+01 volume  0.76796E-02 ppm1      3.901 ppm2      3.785 CV     1
 OR {  544}
   (( segid "AAAA" and resid 29   and name HA  ))
   (( segid "AAAA" and resid 28   and name HA2 ))
 OR {  544}
   (( segid "BBBB" and resid 29   and name HA  ))
   (( segid "BBBB" and resid 28   and name HA1 ))
 OR {  544}
   (( segid "AAAA" and resid 29   and name HA  ))
   (( segid "AAAA" and resid 28   and name HA1 ))
 OR {  544}
   (( segid "BBBB" and resid 92   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 OR {  544}
   (( segid "AAAA" and resid 92   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  544}
   (( segid "AAAA" and resid 40   and name HA  ))
   (( segid "AAAA" and resid 43   and name HA  ))
 OR {  544}
   (( segid "BBBB" and resid 92   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 OR {  544}
   (( segid "BBBB" and resid 40   and name HA  ))
   (( segid "BBBB" and resid 43   and name HA  ))
 OR {  544}
   (( segid "AAAA" and resid 92   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA2 ))
 OR {  544}
   (( segid "AAAA" and resid 83   and name HA  ))
   (( segid "AAAA" and resid 82   and name HA  ))
 OR {  544}
   (( segid "BBBB" and resid 83   and name HA  ))
   (( segid "BBBB" and resid 82   and name HA  ))
 OR {  544}
   (( segid "BBBB" and resid 18   and name HB2 ))
   (( segid "BBBB" and resid 16   and name HA  ))
 ASSI {  547}
   (( segid "AAAA" and resid 93   and name HG  ))
   (( segid "AAAA" and resid 97   and name HG2 ))
      2.300     2.300     3.700 peak   547 spectrum    1 weight  0.10000E+01 volume  0.29844E-01 ppm1      1.416 ppm2      1.292 CV     1
 OR {  547}
   (( segid "BBBB" and resid 93   and name HG  ))
   (( segid "BBBB" and resid 97   and name HG2 ))
 OR {  547}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
 OR {  547}
   (( segid "AAAA" and resid 61   and name HG2 ))
   (( segid "AAAA" and resid 39   and name HG2 ))
 OR {  547}
   (( segid "BBBB" and resid 61   and name HG2 ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 OR {  547}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 39   and name HG2 ))
 OR {  547}
   (( segid "AAAA" and resid 93   and name HG  ))
   (( segid "AAAA" and resid 98   and name HG2 ))
 ASSI {  548}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 40   and name HG2 ))
      2.100     2.100     3.900 peak   548 spectrum    1 weight  0.10000E+01 volume  0.19589E-01 ppm1      2.530 ppm2      2.433 CV     1
 OR {  548}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 40   and name HG2 ))
 ASSI {  550}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (  segid "AAAA" and resid 95   and name HG2%)
      2.400     2.400     3.600 peak   550 spectrum    1 weight  0.10000E+01 volume  0.45838E-01 ppm1      1.697 ppm2      0.830 CV     1
 OR {  550}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (  segid "BBBB" and resid 95   and name HG2%)
 OR {  550}
   (( segid "BBBB" and resid 98   and name HB2 ))
   (  segid "BBBB" and resid 95   and name HG2%)
 OR {  550}
   (( segid "AAAA" and resid 98   and name HB2 ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  550}
   (( segid "AAAA" and resid 97   and name HB2 ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  550}
   (( segid "BBBB" and resid 97   and name HB2 ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  551}
   (( segid "AAAA" and resid 93   and name HG  ))
   (  segid "AAAA" and resid 95   and name HG2%)
      2.200     2.200     3.800 peak   551 spectrum    1 weight  0.10000E+01 volume  0.25232E-01 ppm1      1.416 ppm2      0.830 CV     1
 OR {  551}
   (( segid "BBBB" and resid 93   and name HG  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  552}
   (( segid "AAAA" and resid 67   and name HG2 ))
   (( segid "AAAA" and resid 67   and name HB2 ))
      1.700     0.400     0.500 peak   552 spectrum    1 weight  0.10000E+01 volume  0.27060E-01 ppm1      2.319 ppm2      2.158 CV     1
 OR {  552}
   (( segid "BBBB" and resid 67   and name HG2 ))
   (( segid "BBBB" and resid 67   and name HB2 ))
 OR {  552}
   (( segid "AAAA" and resid 86   and name HG2 ))
   (( segid "AAAA" and resid 86   and name HB2 ))
 OR {  552}
   (( segid "BBBB" and resid 86   and name HG2 ))
   (( segid "BBBB" and resid 86   and name HB2 ))
 ASSI {  553}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 89   and name HG2 ))
      2.300     0.700     0.700 peak   553 spectrum    1 weight  0.10000E+01 volume  0.20637E-01 ppm1      1.194 ppm2      1.006 CV     1
 OR {  553}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 89   and name HG2 ))
 ASSI {  555}
   (( segid "AAAA" and resid 96   and name HG2 ))
   (  segid "AAAA" and resid 95   and name HG2%)
      2.100     2.100     3.900 peak   555 spectrum    1 weight  0.10000E+01 volume  0.50474E-01 ppm1      1.533 ppm2      0.842 CV     1
 OR {  555}
   (( segid "BBBB" and resid 96   and name HG2 ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  557}
   (( segid "AAAA" and resid 46   and name HB2 ))
   (( segid "AAAA" and resid 46   and name HG  ))
      1.800     0.400     0.400 peak   557 spectrum    1 weight  0.10000E+01 volume  0.34017E-01 ppm1      1.697 ppm2      1.462 CV     1
 OR {  557}
   (( segid "BBBB" and resid 46   and name HB2 ))
   (( segid "BBBB" and resid 46   and name HG  ))
 OR {  557}
   (( segid "AAAA" and resid 9    and name HB2 ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  557}
   (( segid "BBBB" and resid 9    and name HB2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  557}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  557}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  557}
   (( segid "BBBB" and resid 6    and name HB2 ))
   (( segid "BBBB" and resid 6    and name HG  ))
 OR {  557}
   (( segid "AAAA" and resid 6    and name HB2 ))
   (( segid "AAAA" and resid 6    and name HG  ))
 OR {  557}
   (( segid "BBBB" and resid 9    and name HB2 ))
   (( segid "AAAA" and resid 83   and name HG  ))
 OR {  557}
   (( segid "AAAA" and resid 9    and name HB2 ))
   (( segid "BBBB" and resid 83   and name HG  ))
 ASSI {  559}
   (( segid "BBBB" and resid 97   and name HA  ))
   (( segid "BBBB" and resid 97   and name HG2 ))
      2.300     2.300     3.700 peak   559 spectrum    1 weight  0.10000E+01 volume  0.20045E-01 ppm1      4.229 ppm2      1.357 CV     1
 OR {  559}
   (( segid "AAAA" and resid 97   and name HA  ))
   (( segid "AAAA" and resid 97   and name HG2 ))
 OR {  559}
   (( segid "AAAA" and resid 96   and name HA  ))
   (( segid "AAAA" and resid 97   and name HG2 ))
 ASSI {  560}
   (( segid "AAAA" and resid 53   and name HA  ))
   (  segid "BBBB" and resid 7    and name HG2%)
      2.300     2.300     3.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.20319E-01 ppm1      3.877 ppm2      1.380 CV     1
 OR {  560}
   (( segid "AAAA" and resid 92   and name HA  ))
   (( segid "AAAA" and resid 93   and name HG  ))
 OR {  560}
   (( segid "BBBB" and resid 92   and name HA  ))
   (( segid "BBBB" and resid 93   and name HG  ))
 ASSI {  561}
   (( segid "BBBB" and resid 17   and name HA  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
      2.100     2.100     3.900 peak   561 spectrum    1 weight  0.10000E+01 volume  0.21992E-01 ppm1      4.158 ppm2      0.818 CV     1
 OR {  561}
   (( segid "AAAA" and resid 17   and name HA  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 OR {  561}
   (( segid "AAAA" and resid 25   and name HA1 ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 OR {  561}
   (( segid "BBBB" and resid 25   and name HA1 ))
   (( segid "BBBB" and resid 22   and name HG1 ))
 ASSI {  563}
   (( segid "BBBB" and resid 95   and name HA  ))
   (  segid "BBBB" and resid 95   and name HG2%)
      2.000     0.500     0.500 peak   563 spectrum    1 weight  0.10000E+01 volume  0.22024E-01 ppm1      3.994 ppm2      0.871 CV     1
 OR {  563}
   (( segid "AAAA" and resid 95   and name HA  ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  563}
   (( segid "BBBB" and resid 74   and name HA  ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  563}
   (( segid "BBBB" and resid 74   and name HB2 ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  563}
   (( segid "AAAA" and resid 74   and name HB2 ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  564}
   (( segid "BBBB" and resid 5    and name HA  ))
   (  segid "BBBB" and resid 5    and name HG2%)
      2.000     0.500     0.500 peak   564 spectrum    1 weight  0.10000E+01 volume  0.24151E-01 ppm1      4.088 ppm2      1.193 CV     1
 OR {  564}
   (( segid "AAAA" and resid 5    and name HA  ))
   (  segid "AAAA" and resid 5    and name HG2%)
 OR {  564}
   (( segid "AAAA" and resid 86   and name HA  ))
   (  segid "BBBB" and resid 5    and name HG2%)
 ASSI {  566}
   (( segid "AAAA" and resid 22   and name HB  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
      2.000     0.500     0.500 peak   566 spectrum    1 weight  0.10000E+01 volume  0.21061E-01 ppm1      4.311 ppm2      0.824 CV     1
 OR {  566}
   (( segid "BBBB" and resid 22   and name HB  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
 ASSI {  567}
   (( segid "BBBB" and resid 16   and name HA  ))
   (( segid "BBBB" and resid 19   and name HG1 ))
      1.800     0.400     0.400 peak   567 spectrum    1 weight  0.10000E+01 volume  0.19750E-01 ppm1      3.819 ppm2      1.210 CV     1
 OR {  567}
   (( segid "AAAA" and resid 16   and name HA  ))
   (( segid "AAAA" and resid 19   and name HG1 ))
 ASSI {  568}
   (( segid "BBBB" and resid 59   and name HA  ))
   (( segid "BBBB" and resid 58   and name HA  ))
      2.800     1.000     1.000 peak   568 spectrum    1 weight  0.10000E+01 volume  0.40137E-02 ppm1      4.147 ppm2      4.031 CV     1
 OR {  568}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "AAAA" and resid 58   and name HA  ))
 OR {  568}
   (( segid "AAAA" and resid 38   and name HA  ))
   (( segid "AAAA" and resid 37   and name HA  ))
 OR {  568}
   (( segid "BBBB" and resid 38   and name HA  ))
   (( segid "BBBB" and resid 37   and name HA  ))
 OR {  568}
   (( segid "BBBB" and resid 63   and name HA  ))
   (( segid "BBBB" and resid 61   and name HA  ))
 OR {  568}
   (( segid "AAAA" and resid 63   and name HA  ))
   (( segid "AAAA" and resid 61   and name HA  ))
 ASSI {  569}
   (( segid "BBBB" and resid 90   and name HG2 ))
   (( segid "BBBB" and resid 89   and name HG2 ))
      2.200     2.200     3.800 peak   569 spectrum    1 weight  0.10000E+01 volume  0.32774E-01 ppm1      2.248 ppm2      1.041 CV     1
 OR {  569}
   (( segid "AAAA" and resid 90   and name HG2 ))
   (( segid "AAAA" and resid 89   and name HG2 ))
 ASSI {  570}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 84   and name HA  ))
      2.700     2.700     3.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.11173E-01 ppm1      3.725 ppm2      3.551 CV     1
 OR {  570}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  570}
   (( segid "AAAA" and resid 10   and name HA  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  570}
   (( segid "AAAA" and resid 10   and name HA  ))
   (( segid "BBBB" and resid 85   and name HA  ))
 ASSI {  571}
   (( segid "AAAA" and resid 61   and name HG2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
      2.500     2.500     3.500 peak   571 spectrum    1 weight  0.10000E+01 volume  0.20607E-01 ppm1      1.440 ppm2      1.251 CV     1
 OR {  571}
   (( segid "BBBB" and resid 61   and name HG2 ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 OR {  571}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 19   and name HG1 ))
 ASSI {  572}
   (( segid "BBBB" and resid 40   and name HA  ))
   (( segid "BBBB" and resid 40   and name HB2 ))
      2.100     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.22903E-01 ppm1      3.901 ppm2      2.252 CV     1
 OR {  572}
   (( segid "AAAA" and resid 40   and name HA  ))
   (( segid "AAAA" and resid 40   and name HB2 ))
 OR {  572}
   (( segid "BBBB" and resid 29   and name HA  ))
   (( segid "BBBB" and resid 72   and name HB2 ))
 OR {  572}
   (( segid "AAAA" and resid 29   and name HA  ))
   (( segid "AAAA" and resid 72   and name HB2 ))
 OR {  572}
   (( segid "AAAA" and resid 14   and name HA  ))
   (( segid "AAAA" and resid 17   and name HB  ))
 OR {  572}
   (( segid "BBBB" and resid 14   and name HA  ))
   (( segid "BBBB" and resid 17   and name HB  ))
 ASSI {  573}
   (( segid "AAAA" and resid 62   and name HA  ))
   (( segid "AAAA" and resid 62   and name HG1 ))
      2.000     0.500     0.500 peak   573 spectrum    1 weight  0.10000E+01 volume  0.18445E-01 ppm1      4.217 ppm2      1.257 CV     1
 OR {  573}
   (( segid "BBBB" and resid 62   and name HA  ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 ASSI {  579}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 41   and name HG  ))
      2.200     2.200     3.800 peak   579 spectrum    1 weight  0.10000E+01 volume  0.25528E-01 ppm1      1.287 ppm2      0.970 CV     1
 OR {  579}
   (( segid "AAAA" and resid 39   and name HG2 ))
   (( segid "AAAA" and resid 41   and name HG  ))
 ASSI {  580}
   (( segid "AAAA" and resid 22   and name HA  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
      2.400     0.700     0.700 peak   580 spectrum    1 weight  0.10000E+01 volume  0.15979E-01 ppm1      3.830 ppm2      0.830 CV     1
 OR {  580}
   (( segid "BBBB" and resid 22   and name HA  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
 OR {  580}
   (( segid "BBBB" and resid 21   and name HA  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
 OR {  580}
   (( segid "AAAA" and resid 21   and name HA  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 ASSI {  582}
   (( segid "AAAA" and resid 69   and name HB2 ))
   (( segid "AAAA" and resid 82   and name HG2 ))
      2.300     2.300     3.700 peak   582 spectrum    1 weight  0.10000E+01 volume  0.23541E-01 ppm1      3.994 ppm2      2.334 CV     1
 OR {  582}
   (( segid "BBBB" and resid 69   and name HB2 ))
   (( segid "BBBB" and resid 82   and name HG2 ))
 ASSI {  583}
   (( segid "BBBB" and resid 62   and name HB  ))
   (( segid "BBBB" and resid 62   and name HG1 ))
      1.900     0.400     0.400 peak   583 spectrum    1 weight  0.10000E+01 volume  0.15259E-01 ppm1      3.983 ppm2      1.263 CV     1
 OR {  583}
   (( segid "AAAA" and resid 62   and name HB  ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 OR {  583}
   (( segid "BBBB" and resid 39   and name HA  ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 OR {  583}
   (( segid "AAAA" and resid 58   and name HA  ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 OR {  583}
   (( segid "AAAA" and resid 39   and name HA  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
 ASSI {  584}
   (  segid "AAAA" and resid 20   and name HE% )
   (  segid "AAAA" and resid 38   and name HD% )
      2.200     0.600     0.600 peak   584 spectrum    1 weight  0.10000E+01 volume  0.11398E-01 ppm1      7.100 ppm2      7.003 CV     1
 OR {  584}
   (  segid "BBBB" and resid 20   and name HE% )
   (  segid "BBBB" and resid 38   and name HD% )
 OR {  584}
   (  segid "BBBB" and resid 20   and name HE% )
   (  segid "BBBB" and resid 23   and name HE% )
 OR {  584}
   (  segid "AAAA" and resid 20   and name HE% )
   (  segid "AAAA" and resid 23   and name HE% )
 ASSI {  585}
   (( segid "BBBB" and resid 18   and name HA  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
      2.600     2.600     3.400 peak   585 spectrum    1 weight  0.10000E+01 volume  0.13590E-01 ppm1      4.100 ppm2      0.853 CV     1
 OR {  585}
   (( segid "AAAA" and resid 18   and name HA  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 OR {  585}
   (( segid "AAAA" and resid 93   and name HA  ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  585}
   (( segid "BBBB" and resid 17   and name HA  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
 OR {  585}
   (( segid "BBBB" and resid 93   and name HA  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 OR {  585}
   (( segid "AAAA" and resid 17   and name HA  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 ASSI {  586}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 6    and name HG  ))
      2.400     2.400     3.600 peak   586 spectrum    1 weight  0.10000E+01 volume  0.21491E-01 ppm1      4.123 ppm2      1.491 CV     1
 OR {  586}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 6    and name HG  ))
 OR {  586}
   (( segid "BBBB" and resid 8    and name HA  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  586}
   (( segid "AAAA" and resid 8    and name HA  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  586}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  586}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 ASSI {  589}
   (  segid "AAAA" and resid 73   and name HE% )
   (  segid "AAAA" and resid 73   and name HD% )
      2.000     0.500     0.500 peak   589 spectrum    1 weight  0.10000E+01 volume  0.11700E-01 ppm1      7.100 ppm2      6.582 CV     1
 OR {  589}
   (  segid "BBBB" and resid 73   and name HE% )
   (  segid "BBBB" and resid 73   and name HD% )
 OR {  589}
   (  segid "AAAA" and resid 20   and name HE% )
   (  segid "AAAA" and resid 20   and name HD% )
 OR {  589}
   (  segid "BBBB" and resid 20   and name HE% )
   (  segid "BBBB" and resid 20   and name HD% )
 ASSI {  590}
   (( segid "AAAA" and resid 56   and name HA  ))
   (( segid "AAAA" and resid 59   and name HG2 ))
      2.900     2.900     3.100 peak   590 spectrum    1 weight  0.10000E+01 volume  0.64472E-02 ppm1      3.315 ppm2      1.216 CV     1
 OR {  590}
   (( segid "BBBB" and resid 56   and name HA  ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 OR {  590}
   (( segid "AAAA" and resid 21   and name HB2 ))
   (( segid "AAAA" and resid 19   and name HG1 ))
 OR {  590}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR {  590}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 ASSI {  591}
   (( segid "BBBB" and resid 63   and name HA  ))
   (( segid "BBBB" and resid 63   and name HG  ))
      2.400     0.700     0.700 peak   591 spectrum    1 weight  0.10000E+01 volume  0.13431E-01 ppm1      4.194 ppm2      1.181 CV     1
 OR {  591}
   (( segid "AAAA" and resid 63   and name HA  ))
   (( segid "AAAA" and resid 63   and name HG  ))
 ASSI {  593}
   (( segid "BBBB" and resid 96   and name HA  ))
   (  segid "BBBB" and resid 95   and name HG2%)
      2.600     2.600     3.400 peak   593 spectrum    1 weight  0.10000E+01 volume  0.12122E-01 ppm1      4.217 ppm2      0.830 CV     1
 OR {  593}
   (( segid "AAAA" and resid 96   and name HA  ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  593}
   (( segid "BBBB" and resid 97   and name HA  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  597}
   (  segid "AAAA" and resid 21   and name HE% )
   (  segid "AAAA" and resid 76   and name HE% )
      2.100     0.600     0.600 peak   597 spectrum    1 weight  0.10000E+01 volume  0.90369E-02 ppm1      7.100 ppm2      6.704 CV     1
 OR {  597}
   (  segid "BBBB" and resid 21   and name HE% )
   (  segid "BBBB" and resid 21   and name HD% )
 OR {  597}
   (  segid "AAAA" and resid 21   and name HE% )
   (  segid "AAAA" and resid 21   and name HD% )
 OR {  597}
   (  segid "BBBB" and resid 21   and name HE% )
   (  segid "BBBB" and resid 76   and name HE% )
 ASSI {  599}
   (( segid "BBBB" and resid 6    and name HG  ))
   (( segid "AAAA" and resid 89   and name HG2 ))
      2.400     2.400     3.600 peak   599 spectrum    1 weight  0.10000E+01 volume  0.19242E-01 ppm1      1.498 ppm2      0.982 CV     1
 OR {  599}
   (( segid "AAAA" and resid 6    and name HG  ))
   (( segid "BBBB" and resid 89   and name HG2 ))
 ASSI {  606}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 45   and name HG2 ))
      3.100     3.100     2.900 peak   606 spectrum    1 weight  0.10000E+01 volume  0.57720E-02 ppm1      2.506 ppm2      2.310 CV     1
 OR {  606}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 45   and name HG2 ))
 OR {  606}
   (( segid "AAAA" and resid 40   and name HG2 ))
   (( segid "AAAA" and resid 44   and name HB2 ))
 OR {  606}
   (( segid "BBBB" and resid 40   and name HG2 ))
   (( segid "BBBB" and resid 44   and name HB2 ))
 OR {  606}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 44   and name HB2 ))
 OR {  606}
   (( segid "BBBB" and resid 57   and name HB2 ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 ASSI {  608}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 41   and name HG  ))
      2.500     2.500     3.500 peak   608 spectrum    1 weight  0.10000E+01 volume  0.11149E-01 ppm1      1.369 ppm2      0.988 CV     1
 ASSI {  609}
   (( segid "AAAA" and resid 78   and name HA  ))
   (  segid "AAAA" and resid 80   and name HG2%)
      2.300     0.700     0.700 peak   609 spectrum    1 weight  0.10000E+01 volume  0.88321E-02 ppm1      4.006 ppm2      0.754 CV     1
 OR {  609}
   (( segid "BBBB" and resid 78   and name HA  ))
   (  segid "BBBB" and resid 80   and name HG2%)
 ASSI {  610}
   (( segid "AAAA" and resid 37   and name HA  ))
   (( segid "AAAA" and resid 37   and name HG2 ))
      1.900     0.500     0.500 peak   610 spectrum    1 weight  0.10000E+01 volume  0.15101E-01 ppm1      4.100 ppm2      2.328 CV     1
 OR {  610}
   (( segid "BBBB" and resid 37   and name HA  ))
   (( segid "BBBB" and resid 37   and name HG2 ))
 OR {  610}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 OR {  610}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 ASSI {  611}
   (( segid "AAAA" and resid 78   and name HD2 ))
   (( segid "AAAA" and resid 68   and name HB2 ))
      2.200     0.600     0.600 peak   611 spectrum    1 weight  0.10000E+01 volume  0.27344E-02 ppm1      3.209 ppm2      3.100 CV     1
 OR {  611}
   (( segid "BBBB" and resid 78   and name HD2 ))
   (( segid "BBBB" and resid 68   and name HB2 ))
 ASSI {  612}
   (( segid "AAAA" and resid 1    and name HB2 ))
   (( segid "BBBB" and resid 41   and name HG  ))
      3.000     1.100     1.100 peak   612 spectrum    1 weight  0.10000E+01 volume  0.71304E-02 ppm1      2.002 ppm2      0.982 CV     1
 OR {  612}
   (( segid "BBBB" and resid 35   and name HB  ))
   (( segid "BBBB" and resid 41   and name HG  ))
 OR {  612}
   (( segid "AAAA" and resid 35   and name HB  ))
   (( segid "AAAA" and resid 41   and name HG  ))
 OR {  612}
   (( segid "BBBB" and resid 1    and name HB2 ))
   (( segid "AAAA" and resid 41   and name HG  ))
 OR {  612}
   (( segid "BBBB" and resid 39   and name HB2 ))
   (( segid "BBBB" and resid 41   and name HG  ))
 ASSI {  614}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 86   and name HN  ))
      2.500     0.800     0.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.78798E-02 ppm1      7.604 ppm2      7.278 CV     1
 OR {  614}
   (( segid "BBBB" and resid 88   and name HN  ))
   (( segid "BBBB" and resid 86   and name HN  ))
 OR {  614}
   (( segid "BBBB" and resid 77   and name HE3 ))
   (( segid "BBBB" and resid 78   and name HN  ))
 OR {  614}
   (( segid "AAAA" and resid 77   and name HE3 ))
   (( segid "AAAA" and resid 78   and name HN  ))
 OR {  614}
   (( segid "BBBB" and resid 77   and name HE3 ))
   (( segid "BBBB" and resid 77   and name HD1 ))
 OR {  614}
   (( segid "AAAA" and resid 77   and name HE3 ))
   (( segid "AAAA" and resid 77   and name HD1 ))
 ASSI {  615}
   (( segid "AAAA" and resid 43   and name HB  ))
   (( segid "AAAA" and resid 43   and name HA  ))
      2.600     0.800     0.800 peak   615 spectrum    1 weight  0.10000E+01 volume  0.51069E-02 ppm1      4.100 ppm2      3.808 CV     1
 OR {  615}
   (( segid "BBBB" and resid 43   and name HB  ))
   (( segid "BBBB" and resid 43   and name HA  ))
 OR {  615}
   (( segid "BBBB" and resid 17   and name HA  ))
   (( segid "BBBB" and resid 21   and name HA  ))
 OR {  615}
   (( segid "AAAA" and resid 17   and name HA  ))
   (( segid "AAAA" and resid 21   and name HA  ))
 OR {  615}
   (( segid "AAAA" and resid 76   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 OR {  615}
   (( segid "BBBB" and resid 76   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  615}
   (( segid "AAAA" and resid 76   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 OR {  615}
   (( segid "BBBB" and resid 76   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA2 ))
 OR {  615}
   (( segid "AAAA" and resid 15   and name HA  ))
   (( segid "AAAA" and resid 16   and name HA  ))
 ASSI {  617}
   (( segid "BBBB" and resid 66   and name HB2 ))
   (( segid "BBBB" and resid 63   and name HG  ))
      2.400     2.400     3.600 peak   617 spectrum    1 weight  0.10000E+01 volume  0.44288E-02 ppm1      3.256 ppm2      1.146 CV     1
 OR {  617}
   (( segid "AAAA" and resid 66   and name HB2 ))
   (( segid "AAAA" and resid 63   and name HG  ))
 OR {  617}
   (( segid "AAAA" and resid 26   and name HD2 ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 OR {  617}
   (( segid "AAAA" and resid 26   and name HD2 ))
   (( segid "AAAA" and resid 63   and name HG  ))
 OR {  617}
   (( segid "BBBB" and resid 26   and name HD2 ))
   (( segid "BBBB" and resid 43   and name HG1 ))
 OR {  617}
   (( segid "BBBB" and resid 26   and name HD2 ))
   (( segid "BBBB" and resid 63   and name HG  ))
 ASSI {  620}
   (( segid "BBBB" and resid 41   and name HN  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
      2.300     2.300     3.700 peak   620 spectrum    1 weight  0.10000E+01 volume  0.11245E-01 ppm1      8.213 ppm2      1.134 CV     1
 OR {  620}
   (( segid "AAAA" and resid 41   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 OR {  620}
   (( segid "AAAA" and resid 2    and name HN  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
 ASSI {  622}
   (( segid "BBBB" and resid 29   and name HB2 ))
   (( segid "AAAA" and resid 97   and name HG2 ))
      3.400     3.400     2.600 peak   622 spectrum    1 weight  0.10000E+01 volume  0.82203E-02 ppm1      1.873 ppm2      1.304 CV     1
 OR {  622}
   (( segid "AAAA" and resid 29   and name HB2 ))
   (( segid "BBBB" and resid 97   and name HG2 ))
 OR {  622}
   (( segid "BBBB" and resid 59   and name HB2 ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 OR {  622}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 39   and name HG2 ))
 ASSI {  624}
   (  segid "BBBB" and resid 23   and name HE% )
   (( segid "BBBB" and resid 38   and name HA  ))
      2.400     0.700     0.700 peak   624 spectrum    1 weight  0.10000E+01 volume  0.10073E-01 ppm1      7.100 ppm2      4.171 CV     1
 OR {  624}
   (  segid "AAAA" and resid 23   and name HE% )
   (( segid "AAAA" and resid 38   and name HA  ))
 ASSI {  625}
   (( segid "AAAA" and resid 69   and name HB2 ))
   (( segid "AAAA" and resid 66   and name HB2 ))
      3.100     1.200     1.200 peak   625 spectrum    1 weight  0.10000E+01 volume  0.75135E-02 ppm1      3.971 ppm2      3.252 CV     1
 OR {  625}
   (( segid "BBBB" and resid 69   and name HB2 ))
   (( segid "BBBB" and resid 66   and name HB2 ))
 OR {  625}
   (( segid "BBBB" and resid 26   and name HA  ))
   (( segid "BBBB" and resid 26   and name HD2 ))
 OR {  625}
   (( segid "AAAA" and resid 26   and name HA  ))
   (( segid "AAAA" and resid 26   and name HD2 ))
 OR {  625}
   (( segid "BBBB" and resid 67   and name HA  ))
   (( segid "BBBB" and resid 66   and name HB2 ))
 ASSI {  627}
   (( segid "BBBB" and resid 90   and name HB2 ))
   (( segid "BBBB" and resid 89   and name HG2 ))
      3.100     1.200     1.200 peak   627 spectrum    1 weight  0.10000E+01 volume  0.10748E-01 ppm1      2.072 ppm2      1.006 CV     1
 OR {  627}
   (( segid "AAAA" and resid 90   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HG2 ))
 ASSI {  628}
   (( segid "BBBB" and resid 88   and name HA  ))
   (( segid "AAAA" and resid 77   and name HA  ))
      2.400     0.700     0.700 peak   628 spectrum    1 weight  0.10000E+01 volume  0.62860E-02 ppm1      4.030 ppm2      3.779 CV     1
 OR {  628}
   (( segid "AAAA" and resid 88   and name HA  ))
   (( segid "BBBB" and resid 77   and name HA  ))
 OR {  628}
   (( segid "AAAA" and resid 74   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 OR {  628}
   (( segid "BBBB" and resid 74   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  628}
   (( segid "AAAA" and resid 74   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 OR {  628}
   (( segid "AAAA" and resid 95   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  628}
   (( segid "BBBB" and resid 74   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA2 ))
 ASSI {  630}
   (( segid "AAAA" and resid 8    and name HB2 ))
   (( segid "BBBB" and resid 22   and name HG1 ))
      2.200     2.200     3.800 peak   630 spectrum    1 weight  0.10000E+01 volume  0.85250E-02 ppm1      2.096 ppm2      0.842 CV     1
 OR {  630}
   (( segid "BBBB" and resid 37   and name HB2 ))
   (( segid "BBBB" and resid 22   and name HG1 ))
 OR {  630}
   (( segid "AAAA" and resid 37   and name HB2 ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 OR {  630}
   (( segid "BBBB" and resid 70   and name HG2 ))
   (( segid "BBBB" and resid 22   and name HG1 ))
 OR {  630}
   (( segid "AAAA" and resid 90   and name HB2 ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  630}
   (( segid "BBBB" and resid 90   and name HB2 ))
   (  segid "BBBB" and resid 95   and name HG2%)
 OR {  630}
   (( segid "AAAA" and resid 70   and name HG2 ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 ASSI {  631}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 89   and name HG2 ))
      2.300     2.300     3.700 peak   631 spectrum    1 weight  0.10000E+01 volume  0.88123E-02 ppm1      3.549 ppm2      0.994 CV     1
 OR {  631}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 89   and name HG2 ))
 ASSI {  632}
   (( segid "BBBB" and resid 3    and name HA  ))
   (( segid "AAAA" and resid 85   and name HG2 ))
      2.700     2.700     3.300 peak   632 spectrum    1 weight  0.10000E+01 volume  0.10324E-01 ppm1      4.311 ppm2      1.550 CV     1
 OR {  632}
   (( segid "AAAA" and resid 3    and name HA  ))
   (( segid "BBBB" and resid 85   and name HG2 ))
 OR {  632}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "BBBB" and resid 13   and name HG11))
 OR {  632}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 89   and name HD2 ))
 OR {  632}
   (( segid "BBBB" and resid 87   and name HA  ))
   (( segid "BBBB" and resid 89   and name HD2 ))
 OR {  632}
   (( segid "BBBB" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 13   and name HG11))
 OR {  632}
   (( segid "BBBB" and resid 69   and name HA  ))
   (( segid "BBBB" and resid 78   and name HG2 ))
 OR {  632}
   (( segid "AAAA" and resid 69   and name HA  ))
   (( segid "AAAA" and resid 78   and name HG2 ))
 OR {  632}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 88   and name HG2 ))
 ASSI {  633}
   (( segid "BBBB" and resid 59   and name HB2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
      2.000     0.500     0.500 peak   633 spectrum    1 weight  0.10000E+01 volume  0.15006E-01 ppm1      1.897 ppm2      1.251 CV     1
 OR {  633}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR {  633}
   (( segid "AAAA" and resid 61   and name HB2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 OR {  633}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 ASSI {  634}
   (( segid "BBBB" and resid 23   and name HB2 ))
   (( segid "BBBB" and resid 40   and name HG2 ))
      3.200     3.200     2.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.10414E-01 ppm1      2.776 ppm2      2.492 CV     1
 OR {  634}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (( segid "AAAA" and resid 40   and name HG2 ))
 ASSI {  636}
   (( segid "AAAA" and resid 98   and name HD2 ))
   (( segid "AAAA" and resid 98   and name HG2 ))
      2.300     0.700     0.700 peak   636 spectrum    1 weight  0.10000E+01 volume  0.62931E-02 ppm1      1.627 ppm2      1.310 CV     1
 OR {  636}
   (( segid "BBBB" and resid 98   and name HD2 ))
   (( segid "BBBB" and resid 98   and name HG2 ))
 OR {  636}
   (( segid "AAAA" and resid 63   and name HB2 ))
   (( segid "AAAA" and resid 39   and name HG2 ))
 ASSI {  637}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 92   and name HA  ))
      2.500     0.800     0.800 peak   637 spectrum    1 weight  0.10000E+01 volume  0.72166E-02 ppm1      7.604 ppm2      3.861 CV     1
 OR {  637}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 92   and name HA  ))
 OR {  637}
   (( segid "BBBB" and resid 53   and name HN  ))
   (( segid "BBBB" and resid 53   and name HA  ))
 ASSI {  638}
   (( segid "AAAA" and resid 2    and name HA  ))
   (( segid "BBBB" and resid 59   and name HA  ))
      2.900     1.100     1.100 peak   638 spectrum    1 weight  0.10000E+01 volume  0.57390E-02 ppm1      4.358 ppm2      4.159 CV     1
 OR {  638}
   (( segid "BBBB" and resid 2    and name HA  ))
   (( segid "AAAA" and resid 59   and name HA  ))
 OR {  638}
   (( segid "AAAA" and resid 12   and name HA  ))
   (( segid "BBBB" and resid 15   and name HA  ))
 OR {  638}
   (( segid "BBBB" and resid 12   and name HA  ))
   (( segid "AAAA" and resid 15   and name HA  ))
 OR {  638}
   (( segid "BBBB" and resid 1    and name HA  ))
   (( segid "AAAA" and resid 59   and name HA  ))
 OR {  638}
   (( segid "AAAA" and resid 1    and name HA  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  638}
   (( segid "BBBB" and resid 2    and name HA  ))
   (( segid "AAAA" and resid 63   and name HA  ))
 OR {  638}
   (( segid "AAAA" and resid 2    and name HA  ))
   (( segid "BBBB" and resid 63   and name HA  ))
 OR {  638}
   (( segid "BBBB" and resid 12   and name HA  ))
   (( segid "BBBB" and resid 11   and name HA  ))
 ASSI {  641}
   (  segid "AAAA" and resid 23   and name HD% )
   (  segid "AAAA" and resid 21   and name HD% )
      2.900     1.100     1.100 peak   641 spectrum    1 weight  0.10000E+01 volume  0.77517E-02 ppm1      6.842 ppm2      6.716 CV     1
 OR {  641}
   (  segid "BBBB" and resid 23   and name HD% )
   (  segid "BBBB" and resid 21   and name HD% )
 ASSI {  643}
   (( segid "BBBB" and resid 41   and name HA  ))
   (( segid "BBBB" and resid 38   and name HA  ))
      3.500     1.600     1.600 peak   643 spectrum    1 weight  0.10000E+01 volume  0.21146E-02 ppm1      4.299 ppm2      4.165 CV     1
 OR {  643}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 38   and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 3    and name HA  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 22   and name HB  ))
   (( segid "AAAA" and resid 25   and name HA1 ))
 OR {  643}
   (( segid "BBBB" and resid 57   and name HA  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 57   and name HA  ))
   (( segid "AAAA" and resid 59   and name HA  ))
 OR {  643}
   (( segid "BBBB" and resid 22   and name HB  ))
   (( segid "BBBB" and resid 25   and name HA1 ))
 OR {  643}
   (( segid "AAAA" and resid 19   and name HA  ))
   (( segid "AAAA" and resid 15   and name HA  ))
 OR {  643}
   (( segid "BBBB" and resid 19   and name HA  ))
   (( segid "BBBB" and resid 15   and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 19   and name HA  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 OR {  643}
   (( segid "BBBB" and resid 19   and name HA  ))
   (( segid "AAAA" and resid 8    and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 3    and name HA  ))
   (( segid "BBBB" and resid 38   and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 19   and name HA  ))
   (( segid "AAAA" and resid 17   and name HA  ))
 OR {  643}
   (( segid "BBBB" and resid 19   and name HA  ))
   (( segid "BBBB" and resid 17   and name HA  ))
 ASSI {  644}
   (( segid "BBBB" and resid 93   and name HN  ))
   (( segid "BBBB" and resid 90   and name HA  ))
      2.300     0.700     0.700 peak   644 spectrum    1 weight  0.10000E+01 volume  0.71564E-02 ppm1      7.545 ppm2      3.978 CV     1
 OR {  644}
   (( segid "AAAA" and resid 93   and name HN  ))
   (( segid "AAAA" and resid 90   and name HA  ))
 OR {  644}
   (( segid "BBBB" and resid 53   and name HN  ))
   (( segid "BBBB" and resid 51   and name HA  ))
 OR {  644}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 62   and name HB  ))
 OR {  644}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 62   and name HB  ))
 OR {  644}
   (( segid "AAAA" and resid 53   and name HN  ))
   (( segid "AAAA" and resid 51   and name HA  ))
 OR {  644}
   (( segid "BBBB" and resid 53   and name HN  ))
   (( segid "BBBB" and resid 54   and name HA1 ))
 OR {  644}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 69   and name HB2 ))
 OR {  644}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 69   and name HB2 ))
 ASSI {  645}
   (( segid "AAAA" and resid 46   and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
      2.900     2.900     3.100 peak   645 spectrum    1 weight  0.10000E+01 volume  0.85873E-02 ppm1      7.287 ppm2      1.374 CV     1
 OR {  645}
   (( segid "BBBB" and resid 46   and name HN  ))
   (  segid "AAAA" and resid 7    and name HG2%)
 OR {  645}
   (( segid "AAAA" and resid 86   and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
 ASSI {  648}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
      3.100     3.100     2.900 peak   648 spectrum    1 weight  0.10000E+01 volume  0.71162E-02 ppm1      1.604 ppm2      1.222 CV     1
 OR {  648}
   (( segid "AAAA" and resid 41   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 ASSI {  652}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 78   and name HN  ))
      3.000     3.000     3.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.56690E-02 ppm1      7.534 ppm2      7.249 CV     1
 OR {  652}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 78   and name HN  ))
 OR {  652}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 77   and name HH2 ))
 OR {  652}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "BBBB" and resid 77   and name HD1 ))
 OR {  652}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "BBBB" and resid 78   and name HN  ))
 OR {  652}
   (( segid "BBBB" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 78   and name HN  ))
 OR {  652}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 77   and name HD1 ))
 ASSI {  653}
   (( segid "BBBB" and resid 97   and name HB2 ))
   (( segid "BBBB" and resid 97   and name HG2 ))
      2.500     0.800     0.800 peak   653 spectrum    1 weight  0.10000E+01 volume  0.48436E-02 ppm1      1.697 ppm2      1.310 CV     1
 OR {  653}
   (( segid "AAAA" and resid 97   and name HB2 ))
   (( segid "AAAA" and resid 97   and name HG2 ))
 OR {  653}
   (( segid "AAAA" and resid 98   and name HB2 ))
   (( segid "AAAA" and resid 98   and name HG2 ))
 OR {  653}
   (( segid "BBBB" and resid 98   and name HB2 ))
   (( segid "BBBB" and resid 98   and name HG2 ))
 OR {  653}
   (( segid "BBBB" and resid 39   and name HD2 ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 ASSI {  654}
   (( segid "BBBB" and resid 4    and name HB2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
      2.600     0.800     0.800 peak   654 spectrum    1 weight  0.10000E+01 volume  0.64641E-02 ppm1      1.779 ppm2      1.234 CV     1
 OR {  654}
   (( segid "AAAA" and resid 4    and name HB2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 ASSI {  655}
   (( segid "BBBB" and resid 95   and name HB  ))
   (( segid "BBBB" and resid 98   and name HG2 ))
      2.200     0.600     0.600 peak   655 spectrum    1 weight  0.10000E+01 volume  0.68566E-02 ppm1      1.791 ppm2      1.286 CV     1
 OR {  655}
   (( segid "AAAA" and resid 95   and name HB  ))
   (( segid "AAAA" and resid 98   and name HG2 ))
 ASSI {  656}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
      3.000     3.000     3.000 peak   656 spectrum    1 weight  0.10000E+01 volume  0.39124E-02 ppm1      4.299 ppm2      1.111 CV     1
 OR {  656}
   (( segid "BBBB" and resid 41   and name HA  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
 ASSI {  657}
   (  segid "AAAA" and resid 76   and name HD% )
   (( segid "AAAA" and resid 71   and name HG  ))
      2.600     0.800     0.800 peak   657 spectrum    1 weight  0.10000E+01 volume  0.64054E-02 ppm1      6.854 ppm2      1.439 CV     1
 OR {  657}
   (  segid "BBBB" and resid 76   and name HD% )
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  657}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 80   and name HB  ))
 OR {  657}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 80   and name HB  ))
 ASSI {  658}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
      2.900     1.000     1.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.76009E-02 ppm1      7.241 ppm2      2.328 CV     1
 OR {  658}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 OR {  658}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 OR {  658}
   (( segid "BBBB" and resid 77   and name HD1 ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 OR {  658}
   (( segid "AAAA" and resid 77   and name HD1 ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 OR {  658}
   (( segid "BBBB" and resid 77   and name HH2 ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 ASSI {  659}
   (( segid "AAAA" and resid 18   and name HA  ))
   (( segid "AAAA" and resid 18   and name HB1 ))
      3.200     1.300     1.300 peak   659 spectrum    1 weight  0.10000E+01 volume  0.14054E-02 ppm1      4.053 ppm2      3.884 CV     1
 OR {  659}
   (( segid "BBBB" and resid 18   and name HA  ))
   (( segid "BBBB" and resid 18   and name HB1 ))
 OR {  659}
   (( segid "AAAA" and resid 18   and name HA  ))
   (( segid "AAAA" and resid 18   and name HB2 ))
 OR {  659}
   (( segid "BBBB" and resid 18   and name HA  ))
   (( segid "BBBB" and resid 18   and name HB2 ))
 ASSI {  661}
   (( segid "BBBB" and resid 83   and name HA  ))
   (( segid "BBBB" and resid 83   and name HG  ))
      2.300     0.700     0.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.77265E-02 ppm1      3.948 ppm2      1.485 CV     1
 OR {  661}
   (( segid "AAAA" and resid 83   and name HA  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 OR {  661}
   (( segid "AAAA" and resid 83   and name HA  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  661}
   (( segid "BBBB" and resid 83   and name HA  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  661}
   (( segid "AAAA" and resid 79   and name HA  ))
   (( segid "AAAA" and resid 79   and name HG  ))
 OR {  661}
   (( segid "BBBB" and resid 79   and name HA  ))
   (( segid "BBBB" and resid 79   and name HG  ))
 ASSI {  664}
   (( segid "BBBB" and resid 11   and name HA  ))
   (( segid "BBBB" and resid 14   and name HG2 ))
      3.300     1.300     1.300 peak   664 spectrum    1 weight  0.10000E+01 volume  0.48891E-02 ppm1      4.123 ppm2      2.439 CV     1
 OR {  664}
   (( segid "AAAA" and resid 11   and name HA  ))
   (( segid "AAAA" and resid 14   and name HG2 ))
 OR {  664}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 10   and name HG2 ))
 OR {  664}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 10   and name HG2 ))
 ASSI {  666}
   (( segid "AAAA" and resid 36   and name HA  ))
   (( segid "AAAA" and resid 63   and name HG  ))
      2.800     2.800     3.200 peak   666 spectrum    1 weight  0.10000E+01 volume  0.60849E-02 ppm1      4.487 ppm2      1.140 CV     1
 OR {  666}
   (( segid "BBBB" and resid 36   and name HA  ))
   (( segid "BBBB" and resid 63   and name HG  ))
 OR {  666}
   (( segid "AAAA" and resid 7    and name HA  ))
   (  segid "AAAA" and resid 5    and name HG2%)
 ASSI {  669}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      3.100     3.100     2.900 peak   669 spectrum    1 weight  0.10000E+01 volume  0.52115E-02 ppm1      4.112 ppm2      2.533 CV     1
 OR {  669}
   (( segid "BBBB" and resid 59   and name HA  ))
   (( segid "BBBB" and resid 57   and name HB2 ))
 OR {  669}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 ASSI {  676}
   (( segid "AAAA" and resid 12   and name HN  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
      2.800     1.000     1.000 peak   676 spectrum    1 weight  0.10000E+01 volume  0.91478E-02 ppm1      7.932 ppm2      1.169 CV     1
 OR {  676}
   (( segid "BBBB" and resid 12   and name HN  ))
   (( segid "AAAA" and resid 15   and name HG1 ))
 OR {  676}
   (( segid "BBBB" and resid 5    and name HN  ))
   (  segid "BBBB" and resid 5    and name HG2%)
 OR {  676}
   (( segid "AAAA" and resid 5    and name HN  ))
   (  segid "AAAA" and resid 5    and name HG2%)
 ASSI {  678}
   (  segid "BBBB" and resid 20   and name HE% )
   (  segid "BBBB" and resid 23   and name HD% )
      2.700     0.900     0.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.45378E-02 ppm1      7.077 ppm2      6.857 CV     1
 OR {  678}
   (  segid "AAAA" and resid 20   and name HE% )
   (  segid "AAAA" and resid 23   and name HD% )
 OR {  678}
   (  segid "AAAA" and resid 21   and name HE% )
   (  segid "AAAA" and resid 76   and name HD% )
 OR {  678}
   (  segid "BBBB" and resid 21   and name HE% )
   (  segid "BBBB" and resid 76   and name HD% )
 OR {  678}
   (( segid "BBBB" and resid 75   and name HN  ))
   (  segid "BBBB" and resid 76   and name HD% )
 OR {  678}
   (( segid "AAAA" and resid 75   and name HN  ))
   (  segid "AAAA" and resid 76   and name HD% )
 ASSI {  680}
   (  segid "AAAA" and resid 38   and name HD% )
   (( segid "AAAA" and resid 38   and name HA  ))
      2.500     0.800     0.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.65309E-02 ppm1      7.018 ppm2      4.194 CV     1
 OR {  680}
   (  segid "BBBB" and resid 38   and name HD% )
   (( segid "BBBB" and resid 38   and name HA  ))
 OR {  680}
   (  segid "BBBB" and resid 23   and name HE% )
   (( segid "BBBB" and resid 38   and name HA  ))
 OR {  680}
   (  segid "AAAA" and resid 23   and name HE% )
   (( segid "AAAA" and resid 38   and name HA  ))
 OR {  680}
   (  segid "AAAA" and resid 38   and name HD% )
   (( segid "AAAA" and resid 63   and name HA  ))
 ASSI {  682}
   (( segid "BBBB" and resid 82   and name HA  ))
   (( segid "BBBB" and resid 82   and name HB2 ))
      2.500     0.800     0.800 peak   682 spectrum    1 weight  0.10000E+01 volume  0.67585E-02 ppm1      3.842 ppm2      2.106 CV     1
 OR {  682}
   (( segid "AAAA" and resid 82   and name HA  ))
   (( segid "AAAA" and resid 82   and name HB2 ))
 OR {  682}
   (( segid "BBBB" and resid 21   and name HA  ))
   (( segid "BBBB" and resid 37   and name HB2 ))
 OR {  682}
   (( segid "AAAA" and resid 21   and name HA  ))
   (( segid "AAAA" and resid 37   and name HB2 ))
 OR {  682}
   (( segid "AAAA" and resid 94   and name HA1 ))
   (( segid "BBBB" and resid 71   and name HB2 ))
 OR {  682}
   (( segid "AAAA" and resid 21   and name HA  ))
   (( segid "AAAA" and resid 70   and name HG2 ))
 ASSI {  686}
   (( segid "AAAA" and resid 57   and name HA  ))
   (( segid "AAAA" and resid 60   and name HG2 ))
      2.900     1.000     1.000 peak   686 spectrum    1 weight  0.10000E+01 volume  0.55793E-02 ppm1      4.264 ppm2      2.205 CV     1
 OR {  686}
   (( segid "BBBB" and resid 57   and name HA  ))
   (( segid "BBBB" and resid 60   and name HG2 ))
 OR {  686}
   (( segid "BBBB" and resid 41   and name HA  ))
   (( segid "BBBB" and resid 40   and name HB2 ))
 OR {  686}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 40   and name HB2 ))
 ASSI {  688}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 90   and name HA  ))
      3.600     1.600     1.600 peak   688 spectrum    1 weight  0.10000E+01 volume  0.18599E-02 ppm1      4.299 ppm2      4.036 CV     1
 OR {  688}
   (( segid "BBBB" and resid 87   and name HA  ))
   (( segid "BBBB" and resid 90   and name HA  ))
 OR {  688}
   (( segid "BBBB" and resid 57   and name HA  ))
   (( segid "BBBB" and resid 58   and name HA  ))
 OR {  688}
   (( segid "AAAA" and resid 57   and name HA  ))
   (( segid "AAAA" and resid 58   and name HA  ))
 OR {  688}
   (( segid "BBBB" and resid 87   and name HA  ))
   (( segid "BBBB" and resid 88   and name HA  ))
 OR {  688}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 88   and name HA  ))
 ASSI {  689}
   (( segid "AAAA" and resid 38   and name HA  ))
   (( segid "AAAA" and resid 41   and name HG  ))
      2.000     0.500     0.500 peak   689 spectrum    1 weight  0.10000E+01 volume  0.77751E-02 ppm1      4.182 ppm2      0.994 CV     1
 OR {  689}
   (( segid "BBBB" and resid 38   and name HA  ))
   (( segid "BBBB" and resid 41   and name HG  ))
 ASSI {  690}
   (( segid "AAAA" and resid 9    and name HB2 ))
   (( segid "BBBB" and resid 19   and name HG1 ))
      3.100     3.100     2.900 peak   690 spectrum    1 weight  0.10000E+01 volume  0.39527E-02 ppm1      1.674 ppm2      1.216 CV     1
 OR {  690}
   (( segid "AAAA" and resid 63   and name HB2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 OR {  690}
   (( segid "AAAA" and resid 63   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR {  690}
   (( segid "AAAA" and resid 39   and name HD2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR {  690}
   (( segid "BBBB" and resid 39   and name HD2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 OR {  690}
   (( segid "AAAA" and resid 46   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR {  690}
   (( segid "BBBB" and resid 46   and name HB2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 OR {  690}
   (( segid "BBBB" and resid 9    and name HB2 ))
   (( segid "AAAA" and resid 19   and name HG1 ))
 ASSI {  692}
   (( segid "AAAA" and resid 67   and name HA  ))
   (( segid "AAAA" and resid 67   and name HB2 ))
      2.100     0.500     0.500 peak   692 spectrum    1 weight  0.10000E+01 volume  0.76628E-02 ppm1      4.006 ppm2      2.152 CV     1
 OR {  692}
   (( segid "BBBB" and resid 67   and name HA  ))
   (( segid "BBBB" and resid 67   and name HB2 ))
 ASSI {  693}
   (( segid "BBBB" and resid 53   and name HN  ))
   (( segid "BBBB" and resid 45   and name HG2 ))
      2.900     1.100     1.100 peak   693 spectrum    1 weight  0.10000E+01 volume  0.60047E-02 ppm1      7.545 ppm2      2.328 CV     1
 OR {  693}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 OR {  693}
   (( segid "AAAA" and resid 53   and name HN  ))
   (( segid "AAAA" and resid 45   and name HG2 ))
 OR {  693}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
 OR {  693}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 ASSI {  694}
   (( segid "AAAA" and resid 75   and name HN  ))
   (  segid "BBBB" and resid 95   and name HG2%)
      2.700     2.700     3.300 peak   694 spectrum    1 weight  0.10000E+01 volume  0.69549E-02 ppm1      7.100 ppm2      0.877 CV     1
 OR {  694}
   (  segid "AAAA" and resid 73   and name HE% )
   (  segid "BBBB" and resid 95   and name HG2%)
 OR {  694}
   (  segid "BBBB" and resid 20   and name HE% )
   (( segid "BBBB" and resid 22   and name HG1 ))
 OR {  694}
   (  segid "AAAA" and resid 20   and name HE% )
   (( segid "AAAA" and resid 22   and name HG1 ))
 ASSI {  697}
   (( segid "AAAA" and resid 82   and name HG2 ))
   (  segid "AAAA" and resid 80   and name HG2%)
      2.200     2.200     3.800 peak   697 spectrum    1 weight  0.10000E+01 volume  0.65008E-02 ppm1      2.330 ppm2      0.742 CV     1
 OR {  697}
   (( segid "BBBB" and resid 82   and name HG2 ))
   (  segid "BBBB" and resid 80   and name HG2%)
 OR {  697}
   (( segid "AAAA" and resid 86   and name HG2 ))
   (  segid "BBBB" and resid 80   and name HG2%)
 ASSI {  698}
   (( segid "AAAA" and resid 77   and name HZ3 ))
   (( segid "AAAA" and resid 76   and name HB2 ))
      3.200     3.200     2.800 peak   698 spectrum    1 weight  0.10000E+01 volume  0.50581E-02 ppm1      6.573 ppm2      2.819 CV     1
 OR {  698}
   (  segid "AAAA" and resid 73   and name HD% )
   (( segid "AAAA" and resid 76   and name HB2 ))
 OR {  698}
   (  segid "BBBB" and resid 73   and name HD% )
   (( segid "BBBB" and resid 76   and name HB2 ))
 ASSI {  699}
   (( segid "AAAA" and resid 72   and name HB2 ))
   (( segid "BBBB" and resid 97   and name HG2 ))
      3.400     3.400     2.600 peak   699 spectrum    1 weight  0.10000E+01 volume  0.63653E-02 ppm1      2.260 ppm2      1.286 CV     1
 OR {  699}
   (( segid "BBBB" and resid 72   and name HB2 ))
   (( segid "AAAA" and resid 97   and name HG2 ))
 ASSI {  700}
   (( segid "BBBB" and resid 57   and name HA  ))
   (( segid "BBBB" and resid 57   and name HB2 ))
      2.500     0.800     0.800 peak   700 spectrum    1 weight  0.10000E+01 volume  0.71281E-02 ppm1      4.299 ppm2      2.509 CV     1
 OR {  700}
   (( segid "AAAA" and resid 57   and name HA  ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 ASSI {  701}
   (( segid "BBBB" and resid 74   and name HA  ))
   (( segid "BBBB" and resid 32   and name HB2 ))
      3.800     3.800     2.200 peak   701 spectrum    1 weight  0.10000E+01 volume  0.27512E-02 ppm1      4.030 ppm2      3.697 CV     1
 OR {  701}
   (( segid "AAAA" and resid 74   and name HA  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
 OR {  701}
   (( segid "AAAA" and resid 90   and name HA  ))
   (( segid "BBBB" and resid 10   and name HA  ))
 OR {  701}
   (( segid "BBBB" and resid 90   and name HA  ))
   (( segid "AAAA" and resid 10   and name HA  ))
 OR {  701}
   (( segid "AAAA" and resid 95   and name HA  ))
   (( segid "BBBB" and resid 32   and name HB2 ))
 ASSI {  704}
   (( segid "AAAA" and resid 85   and name HA  ))
   (  segid "BBBB" and resid 5    and name HG2%)
      3.500     3.500     2.500 peak   704 spectrum    1 weight  0.10000E+01 volume  0.21942E-02 ppm1      3.537 ppm2      1.199 CV     1
 OR {  704}
   (( segid "BBBB" and resid 85   and name HA  ))
   (  segid "AAAA" and resid 5    and name HG2%)
 ASSI {  706}
   (( segid "BBBB" and resid 77   and name HD1 ))
   (( segid "BBBB" and resid 78   and name HA  ))
      2.600     0.800     0.800 peak   706 spectrum    1 weight  0.10000E+01 volume  0.44915E-02 ppm1      7.241 ppm2      3.990 CV     1
 OR {  706}
   (( segid "AAAA" and resid 77   and name HD1 ))
   (( segid "AAAA" and resid 78   and name HA  ))
 OR {  706}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 78   and name HA  ))
 OR {  706}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 78   and name HA  ))
 ASSI {  707}
   (( segid "AAAA" and resid 73   and name HB2 ))
   (( segid "BBBB" and resid 97   and name HG2 ))
      3.000     1.100     1.100 peak   707 spectrum    1 weight  0.10000E+01 volume  0.52260E-02 ppm1      3.010 ppm2      1.333 CV     1
 OR {  707}
   (( segid "BBBB" and resid 73   and name HB2 ))
   (( segid "AAAA" and resid 97   and name HG2 ))
 ASSI {  710}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 21   and name HA  ))
      2.300     0.700     0.700 peak   710 spectrum    1 weight  0.10000E+01 volume  0.55581E-02 ppm1      7.276 ppm2      3.867 CV     1
 OR {  710}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 21   and name HA  ))
 OR {  710}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 53   and name HA  ))
 ASSI {  714}
   (( segid "BBBB" and resid 6    and name HA  ))
   (( segid "BBBB" and resid 6    and name HG  ))
      2.700     0.900     0.900 peak   714 spectrum    1 weight  0.10000E+01 volume  0.61223E-02 ppm1      4.346 ppm2      1.474 CV     1
 OR {  714}
   (( segid "AAAA" and resid 6    and name HA  ))
   (( segid "AAAA" and resid 6    and name HG  ))
 OR {  714}
   (( segid "AAAA" and resid 6    and name HA  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  714}
   (( segid "BBBB" and resid 6    and name HA  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  714}
   (( segid "AAAA" and resid 69   and name HA  ))
   (( segid "AAAA" and resid 79   and name HG  ))
 ASSI {  716}
   (( segid "AAAA" and resid 51   and name HN  ))
   (  segid "BBBB" and resid 5    and name HG2%)
      3.200     1.300     1.300 peak   716 spectrum    1 weight  0.10000E+01 volume  0.32898E-02 ppm1      7.135 ppm2      1.146 CV     1
 OR {  716}
   (( segid "BBBB" and resid 51   and name HN  ))
   (  segid "AAAA" and resid 5    and name HG2%)
 OR {  716}
   (( segid "AAAA" and resid 36   and name HN  ))
   (( segid "AAAA" and resid 63   and name HG  ))
 OR {  716}
   (( segid "BBBB" and resid 36   and name HN  ))
   (( segid "BBBB" and resid 63   and name HG  ))
 ASSI {  717}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "AAAA" and resid 50   and name HG  ))
      5.100     3.600     1.600 peak   717 spectrum    1 weight  0.10000E+01 volume  0.51706E-02 ppm1      2.752 ppm2      1.468 CV     1
 OR {  717}
   (( segid "BBBB" and resid 52   and name HB2 ))
   (( segid "BBBB" and resid 50   and name HG  ))
 ASSI {  719}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 19   and name HG1 ))
      2.800     1.000     1.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.48930E-02 ppm1      8.635 ppm2      1.257 CV     1
 OR {  719}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 19   and name HG1 ))
 OR {  719}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 19   and name HG1 ))
 ASSI {  720}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 88   and name HG2 ))
      3.400     1.500     1.500 peak   720 spectrum    1 weight  0.10000E+01 volume  0.31634E-02 ppm1      1.873 ppm2      1.585 CV     1
 OR {  720}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 88   and name HG2 ))
 OR {  720}
   (( segid "AAAA" and resid 29   and name HB2 ))
   (( segid "BBBB" and resid 97   and name HD2 ))
 OR {  720}
   (( segid "BBBB" and resid 29   and name HB2 ))
   (( segid "AAAA" and resid 97   and name HD2 ))
 OR {  720}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 41   and name HB2 ))
 OR {  720}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 13   and name HG11))
 ASSI {  722}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 43   and name HG1 ))
      2.100     0.600     0.600 peak   722 spectrum    1 weight  0.10000E+01 volume  0.50291E-02 ppm1      2.506 ppm2      1.099 CV     1
 OR {  722}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 ASSI {  723}
   (  segid "AAAA" and resid 21   and name HE% )
   (( segid "AAAA" and resid 16   and name HA  ))
      2.900     1.100     1.100 peak   723 spectrum    1 weight  0.10000E+01 volume  0.41382E-02 ppm1      7.065 ppm2      3.761 CV     1
 OR {  723}
   (  segid "BBBB" and resid 21   and name HE% )
   (( segid "BBBB" and resid 16   and name HA  ))
 OR {  723}
   (  segid "AAAA" and resid 20   and name HE% )
   (( segid "AAAA" and resid 16   and name HA  ))
 OR {  723}
   (  segid "BBBB" and resid 20   and name HE% )
   (( segid "BBBB" and resid 16   and name HA  ))
 OR {  723}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 77   and name HA  ))
 OR {  723}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 77   and name HA  ))
 OR {  723}
   (  segid "AAAA" and resid 21   and name HE% )
   (( segid "AAAA" and resid 77   and name HA  ))
 OR {  723}
   (  segid "BBBB" and resid 21   and name HE% )
   (( segid "BBBB" and resid 77   and name HA  ))
 OR {  723}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 28   and name HA1 ))
 OR {  723}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 28   and name HA1 ))
 ASSI {  724}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 59   and name HG2 ))
      3.400     1.400     1.400 peak   724 spectrum    1 weight  0.10000E+01 volume  0.31288E-02 ppm1      8.518 ppm2      1.193 CV     1
 OR {  724}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 ASSI {  726}
   (( segid "AAAA" and resid 7    and name HB  ))
   (( segid "AAAA" and resid 9    and name HG  ))
      2.800     0.900     0.900 peak   726 spectrum    1 weight  0.10000E+01 volume  0.35927E-02 ppm1      4.920 ppm2      1.433 CV     1
 OR {  726}
   (( segid "BBBB" and resid 7    and name HB  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  726}
   (( segid "AAAA" and resid 72   and name HA  ))
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  726}
   (( segid "BBBB" and resid 72   and name HA  ))
   (( segid "BBBB" and resid 71   and name HG  ))
 ASSI {  729}
   (( segid "BBBB" and resid 76   and name HB2 ))
   (( segid "BBBB" and resid 79   and name HG  ))
      2.800     1.000     1.000 peak   729 spectrum    1 weight  0.10000E+01 volume  0.95474E-02 ppm1      2.823 ppm2      1.491 CV     1
 OR {  729}
   (( segid "AAAA" and resid 76   and name HB2 ))
   (( segid "AAAA" and resid 79   and name HG  ))
 OR {  729}
   (( segid "AAAA" and resid 76   and name HB2 ))
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  729}
   (( segid "BBBB" and resid 76   and name HB2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
 ASSI {  730}
   (( segid "BBBB" and resid 94   and name HA1 ))
   (( segid "AAAA" and resid 76   and name HB2 ))
      2.700     0.900     0.900 peak   730 spectrum    1 weight  0.10000E+01 volume  0.69194E-02 ppm1      3.807 ppm2      2.855 CV     1
 OR {  730}
   (( segid "AAAA" and resid 94   and name HA1 ))
   (( segid "BBBB" and resid 76   and name HB2 ))
 OR {  730}
   (( segid "BBBB" and resid 94   and name HA2 ))
   (( segid "AAAA" and resid 76   and name HB2 ))
 ASSI {  732}
   (( segid "AAAA" and resid 75   and name HA  ))
   (( segid "AAAA" and resid 74   and name HA  ))
      3.500     1.500     1.500 peak   732 spectrum    1 weight  0.10000E+01 volume  0.16994E-02 ppm1      4.369 ppm2      4.036 CV     1
 OR {  732}
   (( segid "BBBB" and resid 75   and name HA  ))
   (( segid "BBBB" and resid 74   and name HA  ))
 OR {  732}
   (( segid "AAAA" and resid 1    and name HA  ))
   (( segid "BBBB" and resid 43   and name HB  ))
 OR {  732}
   (( segid "BBBB" and resid 1    and name HA  ))
   (( segid "AAAA" and resid 43   and name HB  ))
 OR {  732}
   (( segid "BBBB" and resid 6    and name HA  ))
   (( segid "AAAA" and resid 90   and name HA  ))
 OR {  732}
   (( segid "AAAA" and resid 6    and name HA  ))
   (( segid "BBBB" and resid 90   and name HA  ))
 OR {  732}
   (( segid "AAAA" and resid 6    and name HA  ))
   (( segid "BBBB" and resid 89   and name HA  ))
 ASSI {  735}
   (( segid "AAAA" and resid 77   and name HE3 ))
   (( segid "AAAA" and resid 75   and name HA  ))
      2.700     0.900     0.900 peak   735 spectrum    1 weight  0.10000E+01 volume  0.32776E-02 ppm1      7.604 ppm2      4.376 CV     1
 OR {  735}
   (( segid "BBBB" and resid 77   and name HE3 ))
   (( segid "BBBB" and resid 75   and name HA  ))
 ASSI {  738}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "BBBB" and resid 10   and name HA  ))
      3.400     1.500     1.500 peak   738 spectrum    1 weight  0.10000E+01 volume  0.25664E-02 ppm1      4.299 ppm2      3.697 CV     1
 OR {  738}
   (( segid "BBBB" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 10   and name HA  ))
 OR {  738}
   (( segid "AAAA" and resid 3    and name HA  ))
   (( segid "BBBB" and resid 54   and name HA2 ))
 OR {  738}
   (( segid "BBBB" and resid 22   and name HB  ))
   (( segid "BBBB" and resid 24   and name HA  ))
 OR {  738}
   (( segid "AAAA" and resid 22   and name HB  ))
   (( segid "AAAA" and resid 24   and name HA  ))
 OR {  738}
   (( segid "BBBB" and resid 3    and name HA  ))
   (( segid "AAAA" and resid 54   and name HA2 ))
 OR {  738}
   (( segid "AAAA" and resid 69   and name HA  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
 OR {  738}
   (( segid "BBBB" and resid 69   and name HA  ))
   (( segid "BBBB" and resid 32   and name HB2 ))
 ASSI {  740}
   (( segid "AAAA" and resid 70   and name HG2 ))
   (( segid "AAAA" and resid 33   and name HB2 ))
      3.300     1.300     1.300 peak   740 spectrum    1 weight  0.10000E+01 volume  0.89555E-03 ppm1      2.096 ppm2      1.977 CV     1
 OR {  740}
   (( segid "BBBB" and resid 70   and name HG2 ))
   (( segid "BBBB" and resid 33   and name HB2 ))
 OR {  740}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 10   and name HB2 ))
 OR {  740}
   (( segid "BBBB" and resid 86   and name HB2 ))
   (( segid "AAAA" and resid 10   and name HB2 ))
 ASSI {  741}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 15   and name HG1 ))
      3.400     3.400     2.600 peak   741 spectrum    1 weight  0.10000E+01 volume  0.40661E-02 ppm1      9.256 ppm2      1.152 CV     1
 OR {  741}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
 OR {  741}
   (( segid "AAAA" and resid 11   and name HN  ))
   (  segid "AAAA" and resid 5    and name HG2%)
 OR {  741}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 63   and name HG  ))
 OR {  741}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 63   and name HG  ))
 ASSI {  746}
   (( segid "BBBB" and resid 7    and name HA  ))
   (( segid "BBBB" and resid 9    and name HG  ))
      3.200     1.300     1.300 peak   746 spectrum    1 weight  0.10000E+01 volume  0.28450E-02 ppm1      4.487 ppm2      1.433 CV     1
 OR {  746}
   (( segid "AAAA" and resid 7    and name HA  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  746}
   (( segid "BBBB" and resid 48   and name HA  ))
   (( segid "BBBB" and resid 49   and name HG  ))
 OR {  746}
   (( segid "AAAA" and resid 48   and name HA  ))
   (( segid "AAAA" and resid 49   and name HG  ))
 ASSI {  749}
   (( segid "AAAA" and resid 24   and name HA  ))
   (( segid "AAAA" and resid 34   and name HB2 ))
      4.200     2.200     1.800 peak   749 spectrum    1 weight  0.10000E+01 volume  0.13146E-02 ppm1      3.666 ppm2      3.416 CV     1
 OR {  749}
   (( segid "BBBB" and resid 24   and name HA  ))
   (( segid "BBBB" and resid 34   and name HB2 ))
 ASSI {  750}
   (( segid "AAAA" and resid 44   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
      3.000     1.200     1.200 peak   750 spectrum    1 weight  0.10000E+01 volume  0.35763E-02 ppm1      8.471 ppm2      1.140 CV     1
 OR {  750}
   (( segid "BBBB" and resid 44   and name HN  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
 OR {  750}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 ASSI {  751}
   (( segid "AAAA" and resid 54   and name HN  ))
   (  segid "BBBB" and resid 5    and name HG2%)
      3.300     3.300     2.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.27225E-02 ppm1      8.565 ppm2      1.158 CV     1
 OR {  751}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 63   and name HG  ))
 OR {  751}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 63   and name HG  ))
 OR {  751}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 ASSI {  752}
   (( segid "BBBB" and resid 76   and name HA  ))
   (( segid "BBBB" and resid 71   and name HB2 ))
      2.300     0.600     0.600 peak   752 spectrum    1 weight  0.10000E+01 volume  0.48627E-02 ppm1      4.088 ppm2      2.135 CV     1
 OR {  752}
   (( segid "AAAA" and resid 76   and name HA  ))
   (( segid "AAAA" and resid 71   and name HB2 ))
 OR {  752}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 86   and name HB2 ))
 OR {  752}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 86   and name HB2 ))
 ASSI {  754}
   (( segid "BBBB" and resid 85   and name HE2 ))
   (( segid "BBBB" and resid 85   and name HB2 ))
      2.000     0.500     0.500 peak   754 spectrum    1 weight  0.10000E+01 volume  0.35676E-02 ppm1      3.022 ppm2      1.714 CV     1
 OR {  754}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "AAAA" and resid 85   and name HB2 ))
 ASSI {  755}
   (( segid "AAAA" and resid 25   and name HA1 ))
   (( segid "AAAA" and resid 25   and name HA2 ))
      2.800     2.800     3.200 peak   755 spectrum    1 weight  0.10000E+01 volume  0.12551E-02 ppm1      4.158 ppm2      3.890 CV     1
 OR {  755}
   (( segid "BBBB" and resid 25   and name HA1 ))
   (( segid "BBBB" and resid 25   and name HA2 ))
 ASSI {  760}
   (( segid "BBBB" and resid 88   and name HN  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
      2.300     0.600     0.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.52682E-02 ppm1      7.534 ppm2      1.474 CV     1
 OR {  760}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
 ASSI {  761}
   (( segid "BBBB" and resid 51   and name HA  ))
   (( segid "BBBB" and resid 51   and name HG2 ))
      3.500     1.500     1.500 peak   761 spectrum    1 weight  0.10000E+01 volume  0.26512E-02 ppm1      3.948 ppm2      1.368 CV     1
 OR {  761}
   (( segid "AAAA" and resid 51   and name HA  ))
   (( segid "AAAA" and resid 51   and name HG2 ))
 ASSI {  764}
   (( segid "BBBB" and resid 42   and name HA  ))
   (( segid "BBBB" and resid 59   and name HG2 ))
      2.800     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.36030E-02 ppm1      3.444 ppm2      1.257 CV     1
 OR {  764}
   (( segid "AAAA" and resid 42   and name HA  ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR {  764}
   (( segid "BBBB" and resid 20   and name HA  ))
   (( segid "BBBB" and resid 19   and name HG1 ))
 OR {  764}
   (( segid "AAAA" and resid 20   and name HA  ))
   (( segid "AAAA" and resid 19   and name HG1 ))
 ASSI {  767}
   (  segid "BBBB" and resid 21   and name HD% )
   (( segid "BBBB" and resid 22   and name HG1 ))
      3.200     3.200     2.800 peak   767 spectrum    1 weight  0.10000E+01 volume  0.48993E-02 ppm1      6.702 ppm2      0.871 CV     1
 OR {  767}
   (  segid "AAAA" and resid 21   and name HD% )
   (( segid "AAAA" and resid 22   and name HG1 ))
 ASSI {  769}
   (( segid "AAAA" and resid 1    and name HB2 ))
   (( segid "BBBB" and resid 43   and name HG1 ))
      3.400     1.400     1.400 peak   769 spectrum    1 weight  0.10000E+01 volume  0.17737E-02 ppm1      2.002 ppm2      1.099 CV     1
 OR {  769}
   (( segid "BBBB" and resid 1    and name HB2 ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 OR {  769}
   (( segid "BBBB" and resid 39   and name HB2 ))
   (( segid "BBBB" and resid 43   and name HG1 ))
 ASSI {  771}
   (( segid "AAAA" and resid 82   and name HA  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
      3.400     1.500     1.500 peak   771 spectrum    1 weight  0.10000E+01 volume  0.32649E-02 ppm1      3.819 ppm2      2.345 CV     1
 OR {  771}
   (( segid "BBBB" and resid 82   and name HA  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 OR {  771}
   (( segid "BBBB" and resid 21   and name HA  ))
   (( segid "BBBB" and resid 37   and name HG2 ))
 OR {  771}
   (( segid "AAAA" and resid 21   and name HA  ))
   (( segid "AAAA" and resid 37   and name HG2 ))
 OR {  771}
   (( segid "AAAA" and resid 43   and name HA  ))
   (( segid "AAAA" and resid 44   and name HB2 ))
 OR {  771}
   (( segid "BBBB" and resid 43   and name HA  ))
   (( segid "BBBB" and resid 44   and name HB2 ))
 OR {  771}
   (( segid "AAAA" and resid 16   and name HA  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 ASSI {  773}
   (  segid "BBBB" and resid 38   and name HD% )
   (( segid "BBBB" and resid 43   and name HG1 ))
      3.100     3.100     2.900 peak   773 spectrum    1 weight  0.10000E+01 volume  0.39066E-02 ppm1      7.018 ppm2      1.111 CV     1
 OR {  773}
   (  segid "AAAA" and resid 38   and name HD% )
   (( segid "AAAA" and resid 43   and name HG1 ))
 OR {  773}
   (  segid "BBBB" and resid 23   and name HE% )
   (( segid "BBBB" and resid 43   and name HG1 ))
 ASSI {  774}
   (  segid "AAAA" and resid 73   and name HE% )
   (( segid "BBBB" and resid 97   and name HG2 ))
      2.600     0.900     0.900 peak   774 spectrum    1 weight  0.10000E+01 volume  0.42678E-02 ppm1      7.100 ppm2      1.286 CV     1
 OR {  774}
   (  segid "BBBB" and resid 73   and name HE% )
   (( segid "AAAA" and resid 97   and name HG2 ))
 ASSI {  776}
   (( segid "AAAA" and resid 86   and name HG2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
      2.800     1.000     1.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.54436E-02 ppm1      2.307 ppm2      1.474 CV     1
 OR {  776}
   (( segid "BBBB" and resid 86   and name HG2 ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  776}
   (( segid "BBBB" and resid 75   and name HB2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  776}
   (( segid "AAAA" and resid 75   and name HB2 ))
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  776}
   (( segid "AAAA" and resid 90   and name HG2 ))
   (( segid "BBBB" and resid 6    and name HG  ))
 OR {  776}
   (( segid "BBBB" and resid 90   and name HG2 ))
   (( segid "AAAA" and resid 6    and name HG  ))
 OR {  776}
   (( segid "AAAA" and resid 72   and name HB2 ))
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  776}
   (( segid "BBBB" and resid 72   and name HB2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  776}
   (( segid "AAAA" and resid 82   and name HG2 ))
   (( segid "AAAA" and resid 79   and name HG  ))
 OR {  776}
   (( segid "AAAA" and resid 86   and name HG2 ))
   (( segid "AAAA" and resid 83   and name HG  ))
 OR {  776}
   (( segid "AAAA" and resid 45   and name HG2 ))
   (( segid "AAAA" and resid 50   and name HG  ))
 OR {  776}
   (( segid "BBBB" and resid 86   and name HG2 ))
   (( segid "BBBB" and resid 83   and name HG  ))
 ASSI {  778}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 79   and name HG  ))
      2.900     1.100     1.100 peak   778 spectrum    1 weight  0.10000E+01 volume  0.38209E-02 ppm1      7.241 ppm2      1.474 CV     1
 OR {  778}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 79   and name HG  ))
 ASSI {  779}
   (( segid "AAAA" and resid 48   and name HB2 ))
   (( segid "AAAA" and resid 51   and name HE2 ))
      2.500     0.800     0.800 peak   779 spectrum    1 weight  0.10000E+01 volume  0.51319E-02 ppm1      3.338 ppm2      3.089 CV     1
 OR {  779}
   (( segid "BBBB" and resid 48   and name HB2 ))
   (( segid "BBBB" and resid 51   and name HE2 ))
 OR {  779}
   (( segid "AAAA" and resid 56   and name HA  ))
   (( segid "AAAA" and resid 59   and name HD2 ))
 OR {  779}
   (( segid "BBBB" and resid 56   and name HA  ))
   (( segid "BBBB" and resid 59   and name HD2 ))
 ASSI {  781}
   (( segid "AAAA" and resid 43   and name HA  ))
   (( segid "AAAA" and resid 46   and name HG  ))
      2.200     0.600     0.600 peak   781 spectrum    1 weight  0.10000E+01 volume  0.43518E-02 ppm1      3.819 ppm2      1.439 CV     1
 OR {  781}
   (( segid "BBBB" and resid 43   and name HA  ))
   (( segid "BBBB" and resid 46   and name HG  ))
 ASSI {  783}
   (( segid "BBBB" and resid 80   and name HA  ))
   (  segid "BBBB" and resid 80   and name HG2%)
      3.000     1.100     1.100 peak   783 spectrum    1 weight  0.10000E+01 volume  0.38860E-02 ppm1      3.256 ppm2      0.736 CV     1
 OR {  783}
   (( segid "AAAA" and resid 80   and name HA  ))
   (  segid "AAAA" and resid 80   and name HG2%)
 ASSI {  785}
   (( segid "BBBB" and resid 8    and name HB2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
      3.100     1.200     1.200 peak   785 spectrum    1 weight  0.10000E+01 volume  0.51480E-02 ppm1      2.061 ppm2      1.497 CV     1
 OR {  785}
   (( segid "AAAA" and resid 8    and name HB2 ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  785}
   (( segid "AAAA" and resid 82   and name HB2 ))
   (( segid "AAAA" and resid 79   and name HG  ))
 OR {  785}
   (( segid "AAAA" and resid 90   and name HB2 ))
   (( segid "BBBB" and resid 6    and name HG  ))
 OR {  785}
   (( segid "BBBB" and resid 90   and name HB2 ))
   (( segid "AAAA" and resid 6    and name HG  ))
 OR {  785}
   (( segid "AAAA" and resid 90   and name HB2 ))
   (( segid "AAAA" and resid 88   and name HB2 ))
 OR {  785}
   (( segid "AAAA" and resid 53   and name HB  ))
   (( segid "AAAA" and resid 50   and name HG  ))
 OR {  785}
   (( segid "BBBB" and resid 82   and name HB2 ))
   (( segid "BBBB" and resid 85   and name HG2 ))
 OR {  785}
   (( segid "BBBB" and resid 70   and name HG2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  785}
   (( segid "AAAA" and resid 70   and name HG2 ))
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  785}
   (( segid "AAAA" and resid 82   and name HB2 ))
   (( segid "AAAA" and resid 85   and name HG2 ))
 OR {  785}
   (( segid "AAAA" and resid 82   and name HB2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
 ASSI {  788}
   (( segid "AAAA" and resid 55   and name HB2 ))
   (( segid "AAAA" and resid 46   and name HA  ))
      3.200     1.300     1.300 peak   788 spectrum    1 weight  0.10000E+01 volume  0.37320E-02 ppm1      3.737 ppm2      3.475 CV     1
 OR {  788}
   (( segid "BBBB" and resid 55   and name HB2 ))
   (( segid "BBBB" and resid 46   and name HA  ))
 OR {  788}
   (( segid "AAAA" and resid 55   and name HB2 ))
   (( segid "AAAA" and resid 42   and name HA  ))
 OR {  788}
   (( segid "BBBB" and resid 55   and name HB2 ))
   (( segid "BBBB" and resid 42   and name HA  ))
 OR {  788}
   (( segid "BBBB" and resid 10   and name HA  ))
   (( segid "BBBB" and resid 13   and name HA  ))
 ASSI {  790}
   (( segid "BBBB" and resid 36   and name HA  ))
   (( segid "BBBB" and resid 36   and name HB2 ))
      2.900     1.000     1.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.27482E-02 ppm1      4.440 ppm2      2.890 CV     1
 OR {  790}
   (( segid "AAAA" and resid 36   and name HA  ))
   (( segid "AAAA" and resid 36   and name HB2 ))
 ASSI {  792}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 71   and name HG  ))
      3.100     1.200     1.200 peak   792 spectrum    1 weight  0.10000E+01 volume  0.46501E-02 ppm1      7.077 ppm2      1.439 CV     1
 OR {  792}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  792}
   (  segid "AAAA" and resid 73   and name HE% )
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  792}
   (  segid "BBBB" and resid 21   and name HE% )
   (( segid "BBBB" and resid 83   and name HG  ))
 OR {  792}
   (  segid "AAAA" and resid 21   and name HE% )
   (( segid "AAAA" and resid 83   and name HG  ))
 OR {  792}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 71   and name HG  ))
 ASSI {  793}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 85   and name HA  ))
      2.600     0.800     0.800 peak   793 spectrum    1 weight  0.10000E+01 volume  0.35783E-02 ppm1      7.276 ppm2      3.562 CV     1
 OR {  793}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 85   and name HA  ))
 OR {  793}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  793}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 84   and name HA  ))
 ASSI {  794}
   (( segid "AAAA" and resid 93   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HG2 ))
      3.300     1.400     1.400 peak   794 spectrum    1 weight  0.10000E+01 volume  0.27445E-02 ppm1      1.721 ppm2      0.988 CV     1
 OR {  794}
   (( segid "AAAA" and resid 85   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HG2 ))
 OR {  794}
   (( segid "BBBB" and resid 85   and name HB2 ))
   (( segid "BBBB" and resid 89   and name HG2 ))
 ASSI {  795}
   (( segid "BBBB" and resid 58   and name HG2 ))
   (( segid "BBBB" and resid 62   and name HG1 ))
      3.500     1.600     1.600 peak   795 spectrum    1 weight  0.10000E+01 volume  0.34530E-02 ppm1      2.307 ppm2      1.216 CV     1
 OR {  795}
   (( segid "AAAA" and resid 58   and name HG2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 ASSI {  796}
   (  segid "BBBB" and resid 20   and name HE% )
   (( segid "BBBB" and resid 41   and name HG  ))
      3.100     1.200     1.200 peak   796 spectrum    1 weight  0.10000E+01 volume  0.28436E-02 ppm1      7.100 ppm2      0.988 CV     1
 OR {  796}
   (  segid "AAAA" and resid 20   and name HE% )
   (( segid "AAAA" and resid 41   and name HG  ))
 ASSI {  802}
   (( segid "AAAA" and resid 39   and name HA  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      3.500     1.500     1.500 peak   802 spectrum    1 weight  0.10000E+01 volume  0.20189E-02 ppm1      3.971 ppm2      2.515 CV     1
 OR {  802}
   (( segid "BBBB" and resid 39   and name HA  ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 OR {  802}
   (( segid "AAAA" and resid 40   and name HA  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 OR {  802}
   (( segid "BBBB" and resid 40   and name HA  ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 ASSI {  809}
   (( segid "BBBB" and resid 22   and name HB  ))
   (( segid "BBBB" and resid 22   and name HA  ))
      3.200     1.300     1.300 peak   809 spectrum    1 weight  0.10000E+01 volume  0.14326E-02 ppm1      4.311 ppm2      3.820 CV     1
 OR {  809}
   (( segid "AAAA" and resid 22   and name HB  ))
   (( segid "AAAA" and resid 22   and name HA  ))
 ASSI {  810}
   (( segid "BBBB" and resid 97   and name HE2 ))
   (( segid "BBBB" and resid 97   and name HD2 ))
      2.800     1.000     1.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.24575E-02 ppm1      3.162 ppm2      1.602 CV     1
 OR {  810}
   (( segid "AAAA" and resid 97   and name HE2 ))
   (( segid "AAAA" and resid 97   and name HD2 ))
 OR {  810}
   (( segid "BBBB" and resid 98   and name HE2 ))
   (( segid "BBBB" and resid 98   and name HD2 ))
 OR {  810}
   (( segid "AAAA" and resid 98   and name HE2 ))
   (( segid "AAAA" and resid 98   and name HD2 ))
 ASSI {  811}
   (( segid "BBBB" and resid 77   and name HH2 ))
   (  segid "AAAA" and resid 95   and name HG2%)
      2.300     2.300     3.700 peak   811 spectrum    1 weight  0.10000E+01 volume  0.59583E-02 ppm1      7.252 ppm2      0.830 CV     1
 OR {  811}
   (( segid "AAAA" and resid 78   and name HN  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 OR {  811}
   (( segid "AAAA" and resid 77   and name HH2 ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  813}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 69   and name HA  ))
      2.800     1.000     1.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.28468E-02 ppm1      7.545 ppm2      4.311 CV     1
 OR {  813}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 69   and name HA  ))
 OR {  813}
   (( segid "BBBB" and resid 88   and name HN  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {  813}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 87   and name HA  ))
 ASSI {  814}
   (( segid "AAAA" and resid 71   and name HB2 ))
   (( segid "AAAA" and resid 71   and name HG  ))
      2.700     0.900     0.900 peak   814 spectrum    1 weight  0.10000E+01 volume  0.37739E-02 ppm1      2.119 ppm2      1.450 CV     1
 OR {  814}
   (( segid "BBBB" and resid 71   and name HB2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  814}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
 ASSI {  818}
   (( segid "AAAA" and resid 93   and name HA  ))
   (( segid "AAAA" and resid 93   and name HG  ))
      2.700     0.900     0.900 peak   818 spectrum    1 weight  0.10000E+01 volume  0.40500E-02 ppm1      4.053 ppm2      1.427 CV     1
 OR {  818}
   (( segid "BBBB" and resid 93   and name HA  ))
   (( segid "BBBB" and resid 93   and name HG  ))
 OR {  818}
   (( segid "BBBB" and resid 61   and name HA  ))
   (( segid "BBBB" and resid 61   and name HG2 ))
 OR {  818}
   (( segid "AAAA" and resid 61   and name HA  ))
   (( segid "AAAA" and resid 61   and name HG2 ))
 OR {  818}
   (( segid "AAAA" and resid 43   and name HB  ))
   (( segid "AAAA" and resid 46   and name HG  ))
 ASSI {  819}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 78   and name HA  ))
      3.000     1.100     1.100 peak   819 spectrum    1 weight  0.10000E+01 volume  0.29892E-02 ppm1      6.912 ppm2      3.995 CV     1
 OR {  819}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 78   and name HA  ))
 OR {  819}
   (  segid "AAAA" and resid 76   and name HD% )
   (( segid "AAAA" and resid 74   and name HA  ))
 OR {  819}
   (  segid "BBBB" and resid 76   and name HD% )
   (( segid "BBBB" and resid 74   and name HA  ))
 OR {  819}
   (  segid "AAAA" and resid 76   and name HD% )
   (( segid "BBBB" and resid 95   and name HA  ))
 ASSI {  820}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "BBBB" and resid 80   and name HA  ))
      3.200     1.300     1.300 peak   820 spectrum    1 weight  0.10000E+01 volume  0.32828E-02 ppm1      7.534 ppm2      3.252 CV     1
 OR {  820}
   (( segid "BBBB" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
 OR {  820}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 66   and name HB2 ))
 OR {  820}
   (( segid "BBBB" and resid 64   and name HN  ))
   (( segid "BBBB" and resid 66   and name HB2 ))
 ASSI {  821}
   (( segid "BBBB" and resid 48   and name HA  ))
   (( segid "BBBB" and resid 47   and name HA  ))
      3.600     1.600     1.600 peak   821 spectrum    1 weight  0.10000E+01 volume  0.17786E-02 ppm1      4.498 ppm2      4.159 CV     1
 OR {  821}
   (( segid "AAAA" and resid 48   and name HA  ))
   (( segid "AAAA" and resid 47   and name HA  ))
 OR {  821}
   (( segid "BBBB" and resid 7    and name HA  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 OR {  821}
   (( segid "AAAA" and resid 7    and name HA  ))
   (( segid "AAAA" and resid 8    and name HA  ))
 ASSI {  822}
   (( segid "AAAA" and resid 88   and name HA  ))
   (( segid "AAAA" and resid 88   and name HG2 ))
      2.600     0.800     0.800 peak   822 spectrum    1 weight  0.10000E+01 volume  0.36290E-02 ppm1      3.994 ppm2      1.585 CV     1
 OR {  822}
   (( segid "BBBB" and resid 88   and name HA  ))
   (( segid "BBBB" and resid 88   and name HG2 ))
 OR {  822}
   (( segid "AAAA" and resid 90   and name HA  ))
   (( segid "AAAA" and resid 89   and name HD2 ))
 OR {  822}
   (( segid "BBBB" and resid 90   and name HA  ))
   (( segid "BBBB" and resid 89   and name HD2 ))
 OR {  822}
   (( segid "BBBB" and resid 95   and name HA  ))
   (( segid "BBBB" and resid 96   and name HG2 ))
 ASSI {  825}
   (  segid "BBBB" and resid 38   and name HD% )
   (( segid "BBBB" and resid 41   and name HG  ))
      3.000     1.100     1.100 peak   825 spectrum    1 weight  0.10000E+01 volume  0.37840E-02 ppm1      7.018 ppm2      1.000 CV     1
 OR {  825}
   (  segid "AAAA" and resid 38   and name HD% )
   (( segid "AAAA" and resid 41   and name HG  ))
 OR {  825}
   (  segid "BBBB" and resid 23   and name HE% )
   (( segid "BBBB" and resid 41   and name HG  ))
 ASSI {  827}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 43   and name HG1 ))
      3.800     1.800     1.800 peak   827 spectrum    1 weight  0.10000E+01 volume  0.14492E-02 ppm1      1.627 ppm2      1.082 CV     1
 OR {  827}
   (( segid "AAAA" and resid 41   and name HB2 ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 OR {  827}
   (( segid "AAAA" and resid 46   and name HB2 ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 ASSI {  828}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 9    and name HG  ))
      3.100     1.200     1.200 peak   828 spectrum    1 weight  0.10000E+01 volume  0.38118E-02 ppm1      9.268 ppm2      1.497 CV     1
 OR {  828}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 79   and name HG  ))
 OR {  828}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 79   and name HG  ))
 OR {  828}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 71   and name HG  ))
 ASSI {  829}
   (  segid "BBBB" and resid 23   and name HD% )
   (( segid "BBBB" and resid 38   and name HA  ))
      2.400     0.700     0.700 peak   829 spectrum    1 weight  0.10000E+01 volume  0.48195E-02 ppm1      6.877 ppm2      4.142 CV     1
 OR {  829}
   (  segid "AAAA" and resid 23   and name HD% )
   (( segid "AAAA" and resid 38   and name HA  ))
 ASSI {  830}
   (( segid "BBBB" and resid 17   and name HN  ))
   (( segid "BBBB" and resid 17   and name HB  ))
      2.500     0.800     0.800 peak   830 spectrum    1 weight  0.10000E+01 volume  0.39201E-02 ppm1      8.237 ppm2      2.264 CV     1
 OR {  830}
   (( segid "AAAA" and resid 17   and name HN  ))
   (( segid "AAAA" and resid 17   and name HB  ))
 ASSI {  836}
   (  segid "BBBB" and resid 21   and name HD% )
   (( segid "BBBB" and resid 17   and name HA  ))
      2.400     0.700     0.700 peak   836 spectrum    1 weight  0.10000E+01 volume  0.37228E-02 ppm1      6.702 ppm2      4.159 CV     1
 OR {  836}
   (  segid "AAAA" and resid 21   and name HD% )
   (( segid "AAAA" and resid 17   and name HA  ))
 ASSI {  837}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 80   and name HB  ))
      3.400     1.500     1.500 peak   837 spectrum    1 weight  0.10000E+01 volume  0.18288E-02 ppm1      1.932 ppm2      1.439 CV     1
 OR {  837}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 80   and name HB  ))
 OR {  837}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
 OR {  837}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
 OR {  837}
   (( segid "AAAA" and resid 10   and name HB2 ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  837}
   (( segid "BBBB" and resid 10   and name HB2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
 ASSI {  842}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   842 spectrum    1 weight  0.10000E+01 volume  0.49347E-02 ppm1      9.280 ppm2      4.124 CV     1
 OR {  842}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 11   and name HA  ))
 OR {  842}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 8    and name HA  ))
 ASSI {  843}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   843 spectrum    1 weight  0.10000E+01 volume  0.51996E-02 ppm1      7.944 ppm2      4.118 CV     1
 OR {  843}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  843}
   (( segid "BBBB" and resid 12   and name HN  ))
   (( segid "BBBB" and resid 11   and name HA  ))
 OR {  843}
   (( segid "AAAA" and resid 12   and name HN  ))
   (( segid "AAAA" and resid 11   and name HA  ))
 OR {  843}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {  843}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 86   and name HA  ))
 ASSI {  845}
   (( segid "BBBB" and resid 2    and name HN  ))
   (( segid "AAAA" and resid 59   and name HA  ))
      2.500     0.800     0.800 peak   845 spectrum    1 weight  0.10000E+01 volume  0.34869E-02 ppm1      8.237 ppm2      4.171 CV     1
 OR {  845}
   (( segid "AAAA" and resid 2    and name HN  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  845}
   (( segid "BBBB" and resid 97   and name HN  ))
   (( segid "BBBB" and resid 97   and name HA  ))
 OR {  845}
   (( segid "AAAA" and resid 97   and name HN  ))
   (( segid "AAAA" and resid 97   and name HA  ))
 OR {  845}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 ASSI {  846}
   (( segid "AAAA" and resid 72   and name HD2 ))
   (( segid "AAAA" and resid 71   and name HG  ))
      3.300     1.400     1.400 peak   846 spectrum    1 weight  0.10000E+01 volume  0.36584E-02 ppm1      3.315 ppm2      1.433 CV     1
 OR {  846}
   (( segid "BBBB" and resid 72   and name HD2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  846}
   (( segid "BBBB" and resid 60   and name HA  ))
   (( segid "BBBB" and resid 61   and name HG2 ))
 OR {  846}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 61   and name HG2 ))
 ASSI {  848}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 46   and name HG  ))
      3.200     3.200     2.800 peak   848 spectrum    1 weight  0.10000E+01 volume  0.31264E-02 ppm1      8.495 ppm2      1.433 CV     1
 OR {  848}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 46   and name HG  ))
 ASSI {  849}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
      3.500     1.500     1.500 peak   849 spectrum    1 weight  0.10000E+01 volume  0.19832E-02 ppm1      1.873 ppm2      1.497 CV     1
 OR {  849}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
 OR {  849}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 79   and name HG  ))
 ASSI {  851}
   (( segid "BBBB" and resid 20   and name HN  ))
   (  segid "BBBB" and resid 20   and name HD% )
      3.500     1.500     1.500 peak   851 spectrum    1 weight  0.10000E+01 volume  0.20398E-02 ppm1      6.971 ppm2      6.582 CV     1
 OR {  851}
   (( segid "AAAA" and resid 20   and name HN  ))
   (  segid "AAAA" and resid 20   and name HD% )
 OR {  851}
   (  segid "BBBB" and resid 23   and name HE% )
   (  segid "BBBB" and resid 20   and name HD% )
 ASSI {  855}
   (( segid "AAAA" and resid 37   and name HA  ))
   (( segid "AAAA" and resid 36   and name HB2 ))
      3.000     1.100     1.100 peak   855 spectrum    1 weight  0.10000E+01 volume  0.37405E-02 ppm1      4.065 ppm2      2.890 CV     1
 OR {  855}
   (( segid "BBBB" and resid 37   and name HA  ))
   (( segid "BBBB" and resid 36   and name HB2 ))
 OR {  855}
   (( segid "AAAA" and resid 61   and name HA  ))
   (( segid "AAAA" and resid 64   and name HB2 ))
 ASSI {  858}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
      3.300     1.300     1.300 peak   858 spectrum    1 weight  0.10000E+01 volume  0.29483E-02 ppm1      7.944 ppm2      1.491 CV     1
 OR {  858}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
 OR {  858}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  858}
   (( segid "AAAA" and resid 12   and name HN  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  858}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 6    and name HG  ))
 ASSI {  859}
   (( segid "BBBB" and resid 12   and name HA  ))
   (( segid "BBBB" and resid 14   and name HG2 ))
      3.500     3.500     2.500 peak   859 spectrum    1 weight  0.10000E+01 volume  0.28671E-02 ppm1      4.393 ppm2      2.486 CV     1
 OR {  859}
   (( segid "AAAA" and resid 12   and name HA  ))
   (( segid "AAAA" and resid 14   and name HG2 ))
 OR {  859}
   (( segid "AAAA" and resid 15   and name HB  ))
   (( segid "BBBB" and resid 14   and name HG2 ))
 OR {  859}
   (( segid "AAAA" and resid 15   and name HB  ))
   (( segid "AAAA" and resid 14   and name HG2 ))
 OR {  859}
   (( segid "BBBB" and resid 15   and name HB  ))
   (( segid "BBBB" and resid 14   and name HG2 ))
 ASSI {  863}
   (( segid "AAAA" and resid 95   and name HN  ))
   (  segid "AAAA" and resid 95   and name HG2%)
      2.900     1.100     1.100 peak   863 spectrum    1 weight  0.10000E+01 volume  0.28535E-02 ppm1      7.534 ppm2      0.830 CV     1
 OR {  863}
   (( segid "BBBB" and resid 95   and name HN  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  869}
   (  segid "BBBB" and resid 23   and name HD% )
   (( segid "BBBB" and resid 39   and name HG2 ))
      3.100     3.100     2.900 peak   869 spectrum    1 weight  0.10000E+01 volume  0.29804E-02 ppm1      6.854 ppm2      1.263 CV     1
 OR {  869}
   (  segid "AAAA" and resid 23   and name HD% )
   (( segid "AAAA" and resid 39   and name HG2 ))
 OR {  869}
   (  segid "AAAA" and resid 76   and name HD% )
   (( segid "BBBB" and resid 98   and name HG2 ))
 ASSI {  870}
   (( segid "AAAA" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
      3.200     1.300     1.300 peak   870 spectrum    1 weight  0.10000E+01 volume  0.34033E-02 ppm1      3.057 ppm2      1.439 CV     1
 OR {  870}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  870}
   (( segid "BBBB" and resid 85   and name HE2 ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  870}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "AAAA" and resid 88   and name HB2 ))
 OR {  870}
   (( segid "BBBB" and resid 85   and name HE2 ))
   (( segid "BBBB" and resid 88   and name HB2 ))
 OR {  870}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "AAAA" and resid 83   and name HG  ))
 ASSI {  871}
   (( segid "BBBB" and resid 24   and name HN  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
      3.300     1.400     1.400 peak   871 spectrum    1 weight  0.10000E+01 volume  0.37931E-02 ppm1      8.495 ppm2      0.871 CV     1
 OR {  871}
   (( segid "AAAA" and resid 24   and name HN  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 ASSI {  874}
   (( segid "BBBB" and resid 30   and name HA  ))
   (( segid "BBBB" and resid 31   and name HA1 ))
      3.400     1.500     1.500 peak   874 spectrum    1 weight  0.10000E+01 volume  0.16320E-02 ppm1      4.405 ppm2      3.890 CV     1
 OR {  874}
   (( segid "AAAA" and resid 30   and name HA  ))
   (( segid "AAAA" and resid 31   and name HA1 ))
 OR {  874}
   (( segid "BBBB" and resid 30   and name HA  ))
   (( segid "BBBB" and resid 31   and name HA2 ))
 OR {  874}
   (( segid "AAAA" and resid 30   and name HA  ))
   (( segid "AAAA" and resid 31   and name HA2 ))
 OR {  874}
   (( segid "BBBB" and resid 15   and name HB  ))
   (( segid "BBBB" and resid 14   and name HA  ))
 OR {  874}
   (( segid "AAAA" and resid 15   and name HB  ))
   (( segid "AAAA" and resid 14   and name HA  ))
 OR {  874}
   (( segid "AAAA" and resid 75   and name HA  ))
   (( segid "AAAA" and resid 31   and name HA2 ))
 OR {  874}
   (( segid "BBBB" and resid 75   and name HA  ))
   (( segid "BBBB" and resid 31   and name HA2 ))
 ASSI {  878}
   (( segid "BBBB" and resid 14   and name HN  ))
   (( segid "BBBB" and resid 14   and name HA  ))
      2.600     0.800     0.800 peak   878 spectrum    1 weight  0.10000E+01 volume  0.29270E-02 ppm1      8.401 ppm2      3.890 CV     1
 OR {  878}
   (( segid "AAAA" and resid 14   and name HN  ))
   (( segid "AAAA" and resid 14   and name HA  ))
 ASSI {  881}
   (( segid "AAAA" and resid 68   and name HB2 ))
   (( segid "AAAA" and resid 76   and name HB2 ))
      3.400     3.400     2.600 peak   881 spectrum    1 weight  0.10000E+01 volume  0.93977E-03 ppm1      3.069 ppm2      2.884 CV     1
 OR {  881}
   (( segid "BBBB" and resid 68   and name HB2 ))
   (( segid "BBBB" and resid 76   and name HB2 ))
 OR {  881}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 36   and name HB2 ))
 OR {  881}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 36   and name HB2 ))
 OR {  881}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 64   and name HB2 ))
 OR {  881}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 64   and name HB2 ))
 ASSI {  882}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 36   and name HB2 ))
      3.500     3.500     2.500 peak   882 spectrum    1 weight  0.10000E+01 volume  0.46354E-03 ppm1      3.104 ppm2      2.890 CV     1
 OR {  882}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 36   and name HB2 ))
 ASSI {  883}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 63   and name HA  ))
      2.700     0.900     0.900 peak   883 spectrum    1 weight  0.10000E+01 volume  0.35307E-02 ppm1      7.534 ppm2      4.153 CV     1
 OR {  883}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 63   and name HA  ))
 OR {  883}
   (( segid "BBBB" and resid 64   and name HN  ))
   (( segid "BBBB" and resid 63   and name HA  ))
 OR {  883}
   (( segid "AAAA" and resid 64   and name HN  ))
   (( segid "AAAA" and resid 63   and name HA  ))
 OR {  883}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 62   and name HA  ))
 OR {  883}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 62   and name HA  ))
 ASSI {  887}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
      2.200     0.600     0.600 peak   887 spectrum    1 weight  0.10000E+01 volume  0.31440E-02 ppm1      7.299 ppm2      2.340 CV     1
 OR {  887}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 ASSI {  892}
   (( segid "AAAA" and resid 53   and name HN  ))
   (( segid "AAAA" and resid 48   and name HB2 ))
      3.300     1.300     1.300 peak   892 spectrum    1 weight  0.10000E+01 volume  0.21673E-02 ppm1      7.604 ppm2      3.317 CV     1
 OR {  892}
   (( segid "BBBB" and resid 53   and name HN  ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 ASSI {  894}
   (( segid "BBBB" and resid 73   and name HN  ))
   (  segid "AAAA" and resid 95   and name HG2%)
      3.000     3.000     3.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.61805E-02 ppm1      9.526 ppm2      0.865 CV     1
 OR {  894}
   (( segid "AAAA" and resid 73   and name HN  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  896}
   (  segid "BBBB" and resid 20   and name HD% )
   (( segid "BBBB" and resid 20   and name HB2 ))
      2.900     1.000     1.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.24656E-02 ppm1      6.573 ppm2      3.024 CV     1
 OR {  896}
   (  segid "AAAA" and resid 20   and name HD% )
   (( segid "AAAA" and resid 20   and name HB2 ))
 OR {  896}
   (  segid "BBBB" and resid 73   and name HD% )
   (( segid "BBBB" and resid 73   and name HB2 ))
 OR {  896}
   (  segid "AAAA" and resid 73   and name HD% )
   (( segid "AAAA" and resid 73   and name HB2 ))
 ASSI {  899}
   (  segid "BBBB" and resid 20   and name HD% )
   (( segid "BBBB" and resid 38   and name HA  ))
      3.500     1.600     1.600 peak   899 spectrum    1 weight  0.10000E+01 volume  0.28372E-02 ppm1      6.573 ppm2      4.124 CV     1
 OR {  899}
   (  segid "AAAA" and resid 20   and name HD% )
   (( segid "AAAA" and resid 38   and name HA  ))
 OR {  899}
   (  segid "BBBB" and resid 20   and name HD% )
   (( segid "BBBB" and resid 17   and name HA  ))
 OR {  899}
   (  segid "AAAA" and resid 20   and name HD% )
   (( segid "AAAA" and resid 17   and name HA  ))
 ASSI {  901}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 9    and name HA  ))
      2.700     0.900     0.900 peak   901 spectrum    1 weight  0.10000E+01 volume  0.32269E-02 ppm1      8.635 ppm2      4.159 CV     1
 OR {  901}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 9    and name HA  ))
 OR {  901}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 15   and name HA  ))
 OR {  901}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 15   and name HA  ))
 OR {  901}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 OR {  901}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 8    and name HA  ))
 OR {  901}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 9    and name HA  ))
 ASSI {  906}
   (( segid "AAAA" and resid 7    and name HA  ))
   (( segid "BBBB" and resid 41   and name HG  ))
      3.400     3.400     2.600 peak   906 spectrum    1 weight  0.10000E+01 volume  0.20739E-02 ppm1      4.498 ppm2      0.982 CV     1
 OR {  906}
   (( segid "AAAA" and resid 7    and name HA  ))
   (( segid "BBBB" and resid 89   and name HG2 ))
 OR {  906}
   (( segid "AAAA" and resid 36   and name HA  ))
   (( segid "AAAA" and resid 41   and name HG  ))
 OR {  906}
   (( segid "BBBB" and resid 36   and name HA  ))
   (( segid "BBBB" and resid 41   and name HG  ))
 ASSI {  907}
   (( segid "AAAA" and resid 14   and name HN  ))
   (( segid "AAAA" and resid 11   and name HA  ))
      2.900     1.000     1.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.32746E-02 ppm1      8.401 ppm2      4.130 CV     1
 OR {  907}
   (( segid "BBBB" and resid 14   and name HN  ))
   (( segid "BBBB" and resid 11   and name HA  ))
 OR {  907}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 38   and name HA  ))
 OR {  907}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 38   and name HA  ))
 ASSI {  910}
   (( segid "BBBB" and resid 7    and name HB  ))
   (( segid "BBBB" and resid 7    and name HA  ))
      2.800     1.000     1.000 peak   910 spectrum    1 weight  0.10000E+01 volume  0.17575E-02 ppm1      4.920 ppm2      4.487 CV     1
 OR {  910}
   (( segid "AAAA" and resid 7    and name HB  ))
   (( segid "AAAA" and resid 7    and name HA  ))
 ASSI {  911}
   (( segid "AAAA" and resid 12   and name HA  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
      3.100     3.100     2.900 peak   911 spectrum    1 weight  0.10000E+01 volume  0.81894E-03 ppm1      4.381 ppm2      1.181 CV     1
 OR {  911}
   (( segid "BBBB" and resid 12   and name HA  ))
   (( segid "AAAA" and resid 15   and name HG1 ))
 OR {  911}
   (( segid "BBBB" and resid 15   and name HB  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
 OR {  911}
   (( segid "AAAA" and resid 15   and name HB  ))
   (( segid "AAAA" and resid 15   and name HG1 ))
 ASSI {  912}
   (( segid "AAAA" and resid 1    and name HA  ))
   (( segid "BBBB" and resid 59   and name HG2 ))
      3.700     1.700     1.700 peak   912 spectrum    1 weight  0.10000E+01 volume  0.17319E-02 ppm1      4.358 ppm2      1.210 CV     1
 OR {  912}
   (( segid "BBBB" and resid 1    and name HA  ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR {  912}
   (( segid "AAAA" and resid 2    and name HA  ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 ASSI {  913}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 16   and name HA  ))
      2.700     0.900     0.900 peak   913 spectrum    1 weight  0.10000E+01 volume  0.31009E-02 ppm1      8.635 ppm2      3.826 CV     1
 OR {  913}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 16   and name HA  ))
 OR {  913}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
 OR {  913}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA2 ))
 OR {  913}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA1 ))
 OR {  913}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA1 ))
 ASSI {  914}
   (( segid "AAAA" and resid 4    and name HG2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
      3.300     1.400     1.400 peak   914 spectrum    1 weight  0.10000E+01 volume  0.10655E-02 ppm1      2.190 ppm2      1.216 CV     1
 OR {  914}
   (( segid "AAAA" and resid 65   and name HB  ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 OR {  914}
   (( segid "BBBB" and resid 65   and name HB  ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 OR {  914}
   (( segid "AAAA" and resid 60   and name HG2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 OR {  914}
   (( segid "BBBB" and resid 60   and name HG2 ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 ASSI {  915}
   (( segid "BBBB" and resid 44   and name HA  ))
   (( segid "BBBB" and resid 44   and name HG2 ))
      3.600     1.600     1.600 peak   915 spectrum    1 weight  0.10000E+01 volume  0.15245E-02 ppm1      4.276 ppm2      2.381 CV     1
 OR {  915}
   (( segid "AAAA" and resid 44   and name HA  ))
   (( segid "AAAA" and resid 44   and name HG2 ))
 OR {  915}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 44   and name HG2 ))
 ASSI {  917}
   (( segid "AAAA" and resid 68   and name HN  ))
   (( segid "AAAA" and resid 67   and name HG2 ))
      3.100     1.200     1.200 peak   917 spectrum    1 weight  0.10000E+01 volume  0.42563E-02 ppm1      8.401 ppm2      2.310 CV     1
 OR {  917}
   (( segid "BBBB" and resid 68   and name HN  ))
   (( segid "BBBB" and resid 67   and name HG2 ))
 OR {  917}
   (( segid "AAAA" and resid 52   and name HN  ))
   (( segid "AAAA" and resid 45   and name HG2 ))
 OR {  917}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 45   and name HG2 ))
 ASSI {  921}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 2    and name HA  ))
      2.900     1.000     1.000 peak   921 spectrum    1 weight  0.10000E+01 volume  0.17538E-02 ppm1      8.495 ppm2      4.399 CV     1
 OR {  921}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 2    and name HA  ))
 ASSI {  929}
   (  segid "BBBB" and resid 21   and name HE% )
   (  segid "BBBB" and resid 80   and name HG2%)
      5.400     3.400     2.400 peak   929 spectrum    1 weight  0.10000E+01 volume  0.20259E-02 ppm1      7.100 ppm2      0.789 CV     1
 OR {  929}
   (  segid "AAAA" and resid 21   and name HE% )
   (  segid "AAAA" and resid 80   and name HG2%)
 ASSI {  930}
   (  segid "AAAA" and resid 76   and name HE% )
   (( segid "AAAA" and resid 71   and name HG  ))
      2.800     1.000     1.000 peak   930 spectrum    1 weight  0.10000E+01 volume  0.27167E-02 ppm1      6.702 ppm2      1.444 CV     1
 OR {  930}
   (  segid "BBBB" and resid 76   and name HE% )
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  930}
   (  segid "BBBB" and resid 21   and name HD% )
   (( segid "BBBB" and resid 83   and name HG  ))
 OR {  930}
   (  segid "AAAA" and resid 21   and name HD% )
   (( segid "AAAA" and resid 83   and name HG  ))
 OR {  930}
   (  segid "AAAA" and resid 76   and name HE% )
   (( segid "AAAA" and resid 83   and name HG  ))
 OR {  930}
   (  segid "AAAA" and resid 21   and name HD% )
   (( segid "BBBB" and resid 9    and name HG  ))
 ASSI {  932}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
      3.400     1.400     1.400 peak   932 spectrum    1 weight  0.10000E+01 volume  0.18096E-02 ppm1      3.537 ppm2      1.450 CV     1
 OR {  932}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
 OR {  932}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 80   and name HB  ))
 OR {  932}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 80   and name HB  ))
 OR {  932}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
 OR {  932}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
 ASSI {  940}
   (( segid "BBBB" and resid 48   and name HB2 ))
   (( segid "BBBB" and resid 49   and name HB2 ))
      4.000     2.000     2.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.17319E-02 ppm1      3.362 ppm2      1.585 CV     1
 OR {  940}
   (( segid "AAAA" and resid 48   and name HB2 ))
   (( segid "AAAA" and resid 49   and name HB2 ))
 ASSI {  942}
   (  segid "AAAA" and resid 23   and name HE% )
   (  segid "AAAA" and resid 21   and name HD% )
      3.200     1.300     1.300 peak   942 spectrum    1 weight  0.10000E+01 volume  0.11794E-02 ppm1      7.018 ppm2      6.704 CV     1
 OR {  942}
   (  segid "BBBB" and resid 23   and name HE% )
   (  segid "BBBB" and resid 21   and name HD% )
 OR {  942}
   (( segid "AAAA" and resid 20   and name HN  ))
   (  segid "AAAA" and resid 21   and name HD% )
 OR {  942}
   (( segid "BBBB" and resid 20   and name HN  ))
   (  segid "BBBB" and resid 21   and name HD% )
 ASSI {  944}
   (( segid "BBBB" and resid 46   and name HA  ))
   (( segid "BBBB" and resid 47   and name HD1 ))
      4.000     2.000     2.000 peak   944 spectrum    1 weight  0.10000E+01 volume  0.83991E-03 ppm1      3.420 ppm2      3.235 CV     1
 OR {  944}
   (( segid "AAAA" and resid 46   and name HA  ))
   (( segid "AAAA" and resid 47   and name HD1 ))
 OR {  944}
   (( segid "AAAA" and resid 46   and name HA  ))
   (( segid "AAAA" and resid 47   and name HD2 ))
 OR {  944}
   (( segid "BBBB" and resid 46   and name HA  ))
   (( segid "BBBB" and resid 47   and name HD2 ))
 ASSI {  946}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 44   and name HA  ))
      3.400     1.400     1.400 peak   946 spectrum    1 weight  0.10000E+01 volume  0.20134E-02 ppm1      7.311 ppm2      4.276 CV     1
 OR {  946}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 44   and name HA  ))
 OR {  946}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {  946}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 87   and name HA  ))
 OR {  946}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 19   and name HA  ))
 OR {  946}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 22   and name HB  ))
 OR {  946}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 19   and name HA  ))
 ASSI {  947}
   (( segid "BBBB" and resid 54   and name HN  ))
   (( segid "BBBB" and resid 52   and name HN  ))
      3.700     1.700     1.700 peak   947 spectrum    1 weight  0.10000E+01 volume  0.97890E-03 ppm1      8.553 ppm2      8.430 CV     1
 OR {  947}
   (( segid "AAAA" and resid 54   and name HN  ))
   (( segid "AAAA" and resid 52   and name HN  ))
 OR {  947}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 39   and name HN  ))
 ASSI {  948}
   (( segid "BBBB" and resid 23   and name HA  ))
   (( segid "BBBB" and resid 23   and name HB2 ))
      2.700     0.900     0.900 peak   948 spectrum    1 weight  0.10000E+01 volume  0.20971E-02 ppm1      3.971 ppm2      2.761 CV     1
 OR {  948}
   (( segid "AAAA" and resid 23   and name HA  ))
   (( segid "AAAA" and resid 23   and name HB2 ))
 ASSI {  950}
   (( segid "AAAA" and resid 72   and name HD2 ))
   (( segid "AAAA" and resid 75   and name HB2 ))
      4.000     2.000     2.000 peak   950 spectrum    1 weight  0.10000E+01 volume  0.19003E-02 ppm1      3.303 ppm2      2.328 CV     1
 OR {  950}
   (( segid "BBBB" and resid 72   and name HD2 ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 OR {  950}
   (( segid "AAAA" and resid 56   and name HA  ))
   (( segid "AAAA" and resid 58   and name HG2 ))
 OR {  950}
   (( segid "BBBB" and resid 56   and name HA  ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 OR {  950}
   (( segid "BBBB" and resid 48   and name HB2 ))
   (( segid "BBBB" and resid 45   and name HG2 ))
 OR {  950}
   (( segid "AAAA" and resid 48   and name HB2 ))
   (( segid "AAAA" and resid 45   and name HG2 ))
 ASSI {  951}
   (( segid "AAAA" and resid 56   and name HA  ))
   (( segid "AAAA" and resid 57   and name HB2 ))
      4.000     2.000     2.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.13670E-02 ppm1      3.326 ppm2      2.521 CV     1
 OR {  951}
   (( segid "BBBB" and resid 56   and name HA  ))
   (( segid "BBBB" and resid 57   and name HB2 ))
 OR {  951}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 OR {  951}
   (( segid "BBBB" and resid 60   and name HA  ))
   (( segid "BBBB" and resid 57   and name HB2 ))
 ASSI {  952}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 10   and name HA  ))
      2.800     1.000     1.000 peak   952 spectrum    1 weight  0.10000E+01 volume  0.24073E-02 ppm1      7.897 ppm2      3.738 CV     1
 OR {  952}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
 OR {  952}
   (( segid "AAAA" and resid 12   and name HN  ))
   (( segid "AAAA" and resid 10   and name HA  ))
 OR {  952}
   (( segid "BBBB" and resid 12   and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
 ASSI {  954}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 93   and name HG  ))
      3.000     1.100     1.100 peak   954 spectrum    1 weight  0.10000E+01 volume  0.20959E-02 ppm1      7.604 ppm2      1.380 CV     1
 OR {  954}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 93   and name HG  ))
 OR {  954}
   (( segid "AAAA" and resid 53   and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
 OR {  954}
   (( segid "BBBB" and resid 53   and name HN  ))
   (( segid "BBBB" and resid 51   and name HG2 ))
 ASSI {  955}
   (( segid "BBBB" and resid 77   and name HA  ))
   (  segid "BBBB" and resid 80   and name HG2%)
      3.500     1.500     1.500 peak   955 spectrum    1 weight  0.10000E+01 volume  0.18280E-02 ppm1      3.737 ppm2      0.766 CV     1
 OR {  955}
   (( segid "AAAA" and resid 77   and name HA  ))
   (  segid "AAAA" and resid 80   and name HG2%)
 ASSI {  956}
   (( segid "BBBB" and resid 42   and name HA  ))
   (( segid "BBBB" and resid 59   and name HD2 ))
      3.900     1.900     1.900 peak   956 spectrum    1 weight  0.10000E+01 volume  0.21284E-02 ppm1      3.467 ppm2      3.100 CV     1
 OR {  956}
   (( segid "AAAA" and resid 42   and name HA  ))
   (( segid "AAAA" and resid 59   and name HD2 ))
 OR {  956}
   (( segid "BBBB" and resid 34   and name HB2 ))
   (( segid "BBBB" and resid 38   and name HB2 ))
 OR {  956}
   (( segid "AAAA" and resid 34   and name HB2 ))
   (( segid "AAAA" and resid 38   and name HB2 ))
 ASSI {  959}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
      2.500     0.800     0.800 peak   959 spectrum    1 weight  0.10000E+01 volume  0.56088E-02 ppm1      8.764 ppm2      0.859 CV     1
 OR {  959}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 ASSI {  961}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      4.800     2.900     1.200 peak   961 spectrum    1 weight  0.10000E+01 volume  0.11025E-02 ppm1      3.315 ppm2      1.286 CV     1
 OR {  961}
   (( segid "BBBB" and resid 60   and name HA  ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 ASSI {  963}
   (  segid "AAAA" and resid 76   and name HD% )
   (  segid "BBBB" and resid 95   and name HG2%)
      3.200     3.200     2.800 peak   963 spectrum    1 weight  0.10000E+01 volume  0.27530E-02 ppm1      6.877 ppm2      0.883 CV     1
 ASSI {  964}
   (( segid "AAAA" and resid 33   and name HB2 ))
   (( segid "AAAA" and resid 33   and name HG  ))
      3.300     1.400     1.400 peak   964 spectrum    1 weight  0.10000E+01 volume  0.12783E-02 ppm1      2.014 ppm2      1.579 CV     1
 OR {  964}
   (( segid "BBBB" and resid 33   and name HB2 ))
   (( segid "BBBB" and resid 33   and name HG  ))
 OR {  964}
   (( segid "BBBB" and resid 26   and name HB2 ))
   (( segid "BBBB" and resid 33   and name HG  ))
 OR {  964}
   (( segid "AAAA" and resid 26   and name HB2 ))
   (( segid "AAAA" and resid 33   and name HG  ))
 OR {  964}
   (( segid "BBBB" and resid 47   and name HB2 ))
   (( segid "BBBB" and resid 49   and name HB2 ))
 OR {  964}
   (( segid "AAAA" and resid 47   and name HB2 ))
   (( segid "AAAA" and resid 49   and name HB2 ))
 ASSI {  965}
   (( segid "AAAA" and resid 52   and name HA  ))
   (  segid "BBBB" and resid 5    and name HG2%)
      4.000     2.000     2.000 peak   965 spectrum    1 weight  0.10000E+01 volume  0.84606E-03 ppm1      4.698 ppm2      1.205 CV     1
 OR {  965}
   (( segid "BBBB" and resid 52   and name HA  ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 ASSI {  967}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 88   and name HG2 ))
      3.700     1.700     1.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.19856E-02 ppm1      3.549 ppm2      1.573 CV     1
 OR {  967}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 88   and name HG2 ))
 OR {  967}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 88   and name HG2 ))
 OR {  967}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 88   and name HG2 ))
 ASSI {  968}
   (( segid "AAAA" and resid 92   and name HN  ))
   (( segid "AAAA" and resid 90   and name HA  ))
      2.900     1.100     1.100 peak   968 spectrum    1 weight  0.10000E+01 volume  0.26042E-02 ppm1      8.084 ppm2      4.007 CV     1
 OR {  968}
   (( segid "BBBB" and resid 92   and name HN  ))
   (( segid "BBBB" and resid 90   and name HA  ))
 OR {  968}
   (( segid "AAAA" and resid 92   and name HN  ))
   (( segid "AAAA" and resid 88   and name HA  ))
 OR {  968}
   (( segid "BBBB" and resid 92   and name HN  ))
   (( segid "AAAA" and resid 74   and name HA  ))
 ASSI {  970}
   (  segid "BBBB" and resid 23   and name HD% )
   (( segid "BBBB" and resid 41   and name HG  ))
      3.500     1.500     1.500 peak   970 spectrum    1 weight  0.10000E+01 volume  0.22269E-02 ppm1      6.866 ppm2      1.006 CV     1
 OR {  970}
   (  segid "AAAA" and resid 23   and name HD% )
   (( segid "AAAA" and resid 41   and name HG  ))
 ASSI {  973}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 2    and name HA  ))
      3.800     1.800     1.800 peak   973 spectrum    1 weight  0.10000E+01 volume  0.18708E-02 ppm1      7.955 ppm2      4.405 CV     1
 OR {  973}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 2    and name HA  ))
 OR {  973}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 6    and name HA  ))
 OR {  973}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 6    and name HA  ))
 OR {  973}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 2    and name HA  ))
 ASSI {  974}
   (( segid "AAAA" and resid 4    and name HA  ))
   (( segid "BBBB" and resid 59   and name HD2 ))
      4.000     2.000     2.000 peak   974 spectrum    1 weight  0.10000E+01 volume  0.17734E-02 ppm1      4.241 ppm2      3.106 CV     1
 OR {  974}
   (( segid "BBBB" and resid 4    and name HA  ))
   (( segid "AAAA" and resid 59   and name HD2 ))
 OR {  974}
   (( segid "BBBB" and resid 96   and name HA  ))
   (( segid "BBBB" and resid 96   and name HD2 ))
 OR {  974}
   (( segid "AAAA" and resid 96   and name HA  ))
   (( segid "AAAA" and resid 96   and name HD2 ))
 ASSI {  976}
   (( segid "AAAA" and resid 88   and name HA  ))
   (( segid "AAAA" and resid 84   and name HA  ))
      4.100     2.200     1.900 peak   976 spectrum    1 weight  0.10000E+01 volume  0.78689E-03 ppm1      4.018 ppm2      3.551 CV     1
 OR {  976}
   (( segid "BBBB" and resid 88   and name HA  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  976}
   (( segid "AAAA" and resid 88   and name HA  ))
   (( segid "AAAA" and resid 85   and name HA  ))
 OR {  976}
   (( segid "BBBB" and resid 88   and name HA  ))
   (( segid "BBBB" and resid 85   and name HA  ))
 OR {  976}
   (( segid "AAAA" and resid 89   and name HA  ))
   (( segid "AAAA" and resid 85   and name HA  ))
 ASSI {  977}
   (( segid "AAAA" and resid 14   and name HN  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
      3.400     1.500     1.500 peak   977 spectrum    1 weight  0.10000E+01 volume  0.16833E-02 ppm1      8.377 ppm2      1.146 CV     1
 OR {  977}
   (( segid "BBBB" and resid 14   and name HN  ))
   (( segid "AAAA" and resid 15   and name HG1 ))
 OR {  977}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 63   and name HG  ))
 OR {  977}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 63   and name HG  ))
 OR {  977}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 OR {  977}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
 OR {  977}
   (( segid "BBBB" and resid 14   and name HN  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
 ASSI {  979}
   (  segid "BBBB" and resid 23   and name HE% )
   (( segid "BBBB" and resid 22   and name HG1 ))
      3.900     1.900     1.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.18637E-02 ppm1      7.018 ppm2      0.877 CV     1
 OR {  979}
   (  segid "AAAA" and resid 23   and name HE% )
   (( segid "AAAA" and resid 22   and name HG1 ))
 OR {  979}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
 OR {  979}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 ASSI {  981}
   (( segid "AAAA" and resid 45   and name HE22))
   (( segid "AAAA" and resid 41   and name HG  ))
      3.700     1.700     1.700 peak   981 spectrum    1 weight  0.10000E+01 volume  0.17639E-02 ppm1      6.573 ppm2      1.000 CV     1
 OR {  981}
   (  segid "AAAA" and resid 20   and name HD% )
   (( segid "AAAA" and resid 41   and name HG  ))
 OR {  981}
   (  segid "BBBB" and resid 20   and name HD% )
   (( segid "BBBB" and resid 41   and name HG  ))
 ASSI {  982}
   (( segid "AAAA" and resid 26   and name HD2 ))
   (( segid "AAAA" and resid 23   and name HB2 ))
      3.700     1.700     1.700 peak   982 spectrum    1 weight  0.10000E+01 volume  0.27334E-02 ppm1      3.244 ppm2      2.720 CV     1
 OR {  982}
   (( segid "BBBB" and resid 26   and name HD2 ))
   (( segid "BBBB" and resid 23   and name HB2 ))
 ASSI {  984}
   (( segid "AAAA" and resid 48   and name HA  ))
   (( segid "AAAA" and resid 51   and name HE2 ))
      3.500     1.500     1.500 peak   984 spectrum    1 weight  0.10000E+01 volume  0.21200E-02 ppm1      4.498 ppm2      3.083 CV     1
 OR {  984}
   (( segid "BBBB" and resid 48   and name HA  ))
   (( segid "BBBB" and resid 51   and name HE2 ))
 OR {  984}
   (( segid "BBBB" and resid 50   and name HA  ))
   (( segid "BBBB" and resid 51   and name HE2 ))
 OR {  984}
   (( segid "AAAA" and resid 50   and name HA  ))
   (( segid "AAAA" and resid 51   and name HE2 ))
 OR {  984}
   (( segid "BBBB" and resid 36   and name HA  ))
   (( segid "BBBB" and resid 38   and name HB2 ))
 OR {  984}
   (( segid "AAAA" and resid 36   and name HA  ))
   (( segid "AAAA" and resid 38   and name HB2 ))
 ASSI {  986}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 80   and name HB  ))
      2.900     1.000     1.000 peak   986 spectrum    1 weight  0.10000E+01 volume  0.20047E-02 ppm1      3.748 ppm2      1.450 CV     1
 OR {  986}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 80   and name HB  ))
 OR {  986}
   (( segid "AAAA" and resid 10   and name HA  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  986}
   (( segid "BBBB" and resid 10   and name HA  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 ASSI {  991}
   (( segid "BBBB" and resid 21   and name HN  ))
   (  segid "BBBB" and resid 20   and name HD% )
      3.700     1.700     1.700 peak   991 spectrum    1 weight  0.10000E+01 volume  0.14959E-02 ppm1      7.276 ppm2      6.582 CV     1
 OR {  991}
   (( segid "AAAA" and resid 21   and name HN  ))
   (  segid "AAAA" and resid 20   and name HD% )
 ASSI {  993}
   (( segid "BBBB" and resid 47   and name HA  ))
   (( segid "BBBB" and resid 48   and name HB2 ))
      4.200     2.200     1.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.19039E-02 ppm1      4.194 ppm2      3.323 CV     1
 OR {  993}
   (( segid "AAAA" and resid 47   and name HA  ))
   (( segid "AAAA" and resid 48   and name HB2 ))
 OR {  993}
   (( segid "AAAA" and resid 63   and name HA  ))
   (( segid "AAAA" and resid 60   and name HA  ))
 OR {  993}
   (( segid "BBBB" and resid 63   and name HA  ))
   (( segid "BBBB" and resid 60   and name HA  ))
 ASSI {  994}
   (( segid "AAAA" and resid 96   and name HA  ))
   (( segid "AAAA" and resid 96   and name HB2 ))
      3.500     1.500     1.500 peak   994 spectrum    1 weight  0.10000E+01 volume  0.90600E-03 ppm1      4.252 ppm2      1.731 CV     1
 OR {  994}
   (( segid "BBBB" and resid 96   and name HA  ))
   (( segid "BBBB" and resid 96   and name HB2 ))
 OR {  994}
   (( segid "AAAA" and resid 57   and name HA  ))
   (( segid "AAAA" and resid 60   and name HB2 ))
 ASSI {  995}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 85   and name HA  ))
      3.400     1.400     1.400 peak   995 spectrum    1 weight  0.10000E+01 volume  0.12862E-02 ppm1      4.088 ppm2      3.545 CV     1
 OR {  995}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 85   and name HA  ))
 OR {  995}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  995}
   (( segid "AAAA" and resid 89   and name HA  ))
   (( segid "AAAA" and resid 85   and name HA  ))
 OR {  995}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 84   and name HA  ))
 OR {  995}
   (( segid "BBBB" and resid 89   and name HA  ))
   (( segid "BBBB" and resid 85   and name HA  ))
 ASSI {  996}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
      4.200     2.200     1.800 peak   996 spectrum    1 weight  0.10000E+01 volume  0.14108E-02 ppm1      8.647 ppm2      1.140 CV     1
 OR {  996}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 15   and name HG1 ))
 ASSI {  999}
   (( segid "BBBB" and resid 64   and name HB2 ))
   (( segid "BBBB" and resid 67   and name HG2 ))
      3.600     3.600     2.400 peak   999 spectrum    1 weight  0.10000E+01 volume  0.13268E-02 ppm1      2.893 ppm2      2.287 CV     1
 OR {  999}
   (( segid "AAAA" and resid 64   and name HB2 ))
   (( segid "AAAA" and resid 67   and name HG2 ))
 ASSI { 1002}
   (( segid "BBBB" and resid 8    and name HG2 ))
   (( segid "BBBB" and resid 8    and name HB2 ))
      4.000     2.000     2.000 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.24975E-03 ppm1      2.260 ppm2      2.088 CV     1
 OR { 1002}
   (( segid "AAAA" and resid 8    and name HG2 ))
   (( segid "AAAA" and resid 8    and name HB2 ))
 OR { 1002}
   (( segid "BBBB" and resid 90   and name HG2 ))
   (( segid "BBBB" and resid 90   and name HB2 ))
 OR { 1002}
   (( segid "AAAA" and resid 90   and name HG2 ))
   (( segid "AAAA" and resid 90   and name HB2 ))
 ASSI { 1007}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
      4.800     2.900     1.200 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.11463E-02 ppm1      2.530 ppm2      1.205 CV     1
 OR { 1007}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR { 1007}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 63   and name HG  ))
 ASSI { 1010}
   (( segid "BBBB" and resid 6    and name HA  ))
   (( segid "AAAA" and resid 89   and name HG2 ))
      3.100     1.200     1.200 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.12228E-02 ppm1      4.358 ppm2      0.994 CV     1
 OR { 1010}
   (( segid "AAAA" and resid 6    and name HA  ))
   (( segid "BBBB" and resid 89   and name HG2 ))
 OR { 1010}
   (( segid "AAAA" and resid 2    and name HA  ))
   (( segid "BBBB" and resid 41   and name HG  ))
 ASSI { 1011}
   (( segid "AAAA" and resid 2    and name HN  ))
   (( segid "BBBB" and resid 41   and name HG  ))
      3.100     3.100     2.900 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.33172E-02 ppm1      8.237 ppm2      0.982 CV     1
 OR { 1011}
   (( segid "BBBB" and resid 2    and name HN  ))
   (( segid "AAAA" and resid 41   and name HG  ))
 ASSI { 1012}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 89   and name HE2 ))
      4.600     2.600     1.400 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.89761E-03 ppm1      4.323 ppm2      3.170 CV     1
 OR { 1012}
   (( segid "BBBB" and resid 87   and name HA  ))
   (( segid "BBBB" and resid 89   and name HE2 ))
 ASSI { 1013}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 77   and name HA  ))
      3.000     1.100     1.100 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.21843E-02 ppm1      6.854 ppm2      3.761 CV     1
 OR { 1013}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 77   and name HA  ))
 OR { 1013}
   (  segid "AAAA" and resid 76   and name HD% )
   (( segid "AAAA" and resid 77   and name HA  ))
 OR { 1013}
   (  segid "BBBB" and resid 76   and name HD% )
   (( segid "BBBB" and resid 77   and name HA  ))
 ASSI { 1016}
   (( segid "BBBB" and resid 72   and name HB2 ))
   (( segid "BBBB" and resid 29   and name HB2 ))
      4.500     2.500     1.500 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.73838E-03 ppm1      2.295 ppm2      1.889 CV     1
 OR { 1016}
   (( segid "AAAA" and resid 72   and name HB2 ))
   (( segid "AAAA" and resid 29   and name HB2 ))
 OR { 1016}
   (( segid "AAAA" and resid 58   and name HG2 ))
   (( segid "AAAA" and resid 59   and name HB2 ))
 OR { 1016}
   (( segid "BBBB" and resid 58   and name HG2 ))
   (( segid "BBBB" and resid 61   and name HB2 ))
 OR { 1016}
   (( segid "AAAA" and resid 58   and name HG2 ))
   (( segid "AAAA" and resid 61   and name HB2 ))
 OR { 1016}
   (( segid "BBBB" and resid 58   and name HG2 ))
   (( segid "BBBB" and resid 59   and name HB2 ))
 OR { 1016}
   (( segid "BBBB" and resid 86   and name HG2 ))
   (( segid "BBBB" and resid 87   and name HB  ))
 OR { 1016}
   (( segid "AAAA" and resid 86   and name HG2 ))
   (( segid "AAAA" and resid 87   and name HB  ))
 OR { 1016}
   (( segid "AAAA" and resid 72   and name HB2 ))
   (( segid "AAAA" and resid 30   and name HB2 ))
 ASSI { 1017}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 40   and name HA  ))
      3.100     1.200     1.200 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.21277E-02 ppm1      7.909 ppm2      3.978 CV     1
 OR { 1017}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 40   and name HA  ))
 OR { 1017}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 40   and name HA  ))
 OR { 1017}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 40   and name HA  ))
 OR { 1017}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 55   and name HA  ))
 OR { 1017}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 55   and name HA  ))
 OR { 1017}
   (( segid "AAAA" and resid 5    and name HN  ))
   (( segid "BBBB" and resid 54   and name HA1 ))
 OR { 1017}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 58   and name HA  ))
 OR { 1017}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 58   and name HA  ))
 OR { 1017}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 39   and name HA  ))
 OR { 1017}
   (( segid "AAAA" and resid 67   and name HE21))
   (( segid "AAAA" and resid 67   and name HA  ))
 OR { 1017}
   (( segid "BBBB" and resid 67   and name HE21))
   (( segid "BBBB" and resid 67   and name HA  ))
 ASSI { 1018}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 76   and name HB2 ))
      3.300     1.300     1.300 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.25698E-02 ppm1      7.276 ppm2      2.831 CV     1
 OR { 1018}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 76   and name HB2 ))
 ASSI { 1019}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 80   and name HA  ))
      3.800     1.800     1.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.15045E-02 ppm1      3.737 ppm2      3.258 CV     1
 OR { 1019}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 80   and name HA  ))
 ASSI { 1020}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
      4.100     2.100     1.900 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.11032E-02 ppm1      8.670 ppm2      3.697 CV     1
 OR { 1020}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 10   and name HA  ))
 OR { 1020}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
 OR { 1020}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 10   and name HA  ))
 ASSI { 1022}
   (  segid "BBBB" and resid 21   and name HE% )
   (( segid "BBBB" and resid 21   and name HB2 ))
      3.300     1.400     1.400 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.13870E-02 ppm1      7.100 ppm2      3.328 CV     1
 OR { 1022}
   (  segid "AAAA" and resid 73   and name HE% )
   (( segid "AAAA" and resid 72   and name HD2 ))
 OR { 1022}
   (  segid "AAAA" and resid 21   and name HE% )
   (( segid "AAAA" and resid 21   and name HB2 ))
 OR { 1022}
   (  segid "BBBB" and resid 73   and name HE% )
   (( segid "BBBB" and resid 72   and name HD2 ))
 ASSI { 1023}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 43   and name HA  ))
      2.700     0.900     0.900 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.18474E-02 ppm1      7.920 ppm2      3.826 CV     1
 OR { 1023}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 43   and name HA  ))
 OR { 1023}
   (( segid "AAAA" and resid 12   and name HN  ))
   (( segid "BBBB" and resid 16   and name HA  ))
 ASSI { 1024}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 80   and name HA  ))
      3.900     1.900     1.900 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.65040E-03 ppm1      3.561 ppm2      3.252 CV     1
 OR { 1024}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 80   and name HA  ))
 ASSI { 1029}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 63   and name HG  ))
      4.400     2.400     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.78016E-03 ppm1      8.752 ppm2      1.158 CV     1
 OR { 1029}
   (( segid "BBBB" and resid 35   and name HN  ))
   (( segid "BBBB" and resid 63   and name HG  ))
 ASSI { 1032}
   (( segid "BBBB" and resid 32   and name HA  ))
   (( segid "BBBB" and resid 32   and name HB2 ))
      2.800     1.000     1.000 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.11182E-02 ppm1      5.155 ppm2      3.674 CV     1
 OR { 1032}
   (( segid "AAAA" and resid 32   and name HA  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
 ASSI { 1033}
   (( segid "AAAA" and resid 96   and name HN  ))
   (  segid "AAAA" and resid 95   and name HG2%)
      3.700     1.800     1.800 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.15066E-02 ppm1      8.155 ppm2      0.830 CV     1
 OR { 1033}
   (( segid "BBBB" and resid 96   and name HN  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI { 1034}
   (  segid "AAAA" and resid 73   and name HE% )
   (( segid "AAAA" and resid 72   and name HB2 ))
      2.500     0.800     0.800 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.19874E-02 ppm1      7.100 ppm2      2.275 CV     1
 OR { 1034}
   (  segid "BBBB" and resid 73   and name HE% )
   (( segid "BBBB" and resid 72   and name HB2 ))
 OR { 1034}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 OR { 1034}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 ASSI { 1035}
   (  segid "AAAA" and resid 23   and name HE% )
   (( segid "AAAA" and resid 38   and name HB2 ))
      2.600     2.600     3.400 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.14492E-02 ppm1      7.018 ppm2      3.089 CV     1
 OR { 1035}
   (  segid "BBBB" and resid 23   and name HE% )
   (( segid "BBBB" and resid 38   and name HB2 ))
 OR { 1035}
   (  segid "BBBB" and resid 38   and name HD% )
   (( segid "BBBB" and resid 38   and name HB2 ))
 OR { 1035}
   (  segid "AAAA" and resid 38   and name HD% )
   (( segid "AAAA" and resid 38   and name HB2 ))
 OR { 1035}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 20   and name HB2 ))
 ASSI { 1037}
   (( segid "BBBB" and resid 29   and name HG2 ))
   (( segid "BBBB" and resid 72   and name HG2 ))
      4.500     2.500     1.500 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.52944E-03 ppm1      1.826 ppm2      1.737 CV     1
 OR { 1037}
   (( segid "AAAA" and resid 29   and name HG2 ))
   (( segid "BBBB" and resid 97   and name HB2 ))
 OR { 1037}
   (( segid "BBBB" and resid 29   and name HG2 ))
   (( segid "AAAA" and resid 97   and name HB2 ))
 OR { 1037}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 60   and name HB2 ))
 OR { 1037}
   (( segid "BBBB" and resid 59   and name HB2 ))
   (( segid "BBBB" and resid 60   and name HB2 ))
 OR { 1037}
   (( segid "AAAA" and resid 29   and name HG2 ))
   (( segid "AAAA" and resid 72   and name HG2 ))
 ASSI { 1041}
   (( segid "AAAA" and resid 3    and name HA  ))
   (( segid "BBBB" and resid 52   and name HB2 ))
      4.200     2.200     1.800 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.13019E-02 ppm1      4.287 ppm2      2.773 CV     1
 OR { 1041}
   (( segid "BBBB" and resid 3    and name HA  ))
   (( segid "AAAA" and resid 52   and name HB2 ))
 OR { 1041}
   (( segid "AAAA" and resid 4    and name HA  ))
   (( segid "BBBB" and resid 52   and name HB2 ))
 OR { 1041}
   (( segid "BBBB" and resid 4    and name HA  ))
   (( segid "AAAA" and resid 52   and name HB2 ))
 ASSI { 1044}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 41   and name HG  ))
      3.100     1.200     1.200 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.34447E-02 ppm1      3.069 ppm2      0.994 CV     1
 OR { 1044}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 41   and name HG  ))
 ASSI { 1049}
   (( segid "AAAA" and resid 44   and name HA  ))
   (( segid "AAAA" and resid 47   and name HD2 ))
      3.500     1.500     1.500 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.79505E-03 ppm1      4.241 ppm2      3.176 CV     1
 OR { 1049}
   (( segid "BBBB" and resid 44   and name HA  ))
   (( segid "BBBB" and resid 47   and name HD2 ))
 OR { 1049}
   (( segid "AAAA" and resid 44   and name HA  ))
   (( segid "AAAA" and resid 47   and name HD1 ))
 OR { 1049}
   (( segid "BBBB" and resid 44   and name HA  ))
   (( segid "BBBB" and resid 47   and name HD1 ))
 ASSI { 1052}
   (( segid "BBBB" and resid 60   and name HA  ))
   (( segid "BBBB" and resid 60   and name HG2 ))
      3.600     1.600     1.600 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.11449E-02 ppm1      3.326 ppm2      2.240 CV     1
 OR { 1052}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 60   and name HG2 ))
 OR { 1052}
   (( segid "BBBB" and resid 21   and name HB2 ))
   (( segid "BBBB" and resid 17   and name HB  ))
 ASSI { 1055}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 69   and name HA  ))
      3.900     1.900     1.900 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.13681E-02 ppm1      7.241 ppm2      4.317 CV     1
 OR { 1055}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 69   and name HA  ))
 OR { 1055}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR { 1055}
   (( segid "BBBB" and resid 77   and name HD1 ))
   (( segid "BBBB" and resid 69   and name HA  ))
 ASSI { 1057}
   (( segid "AAAA" and resid 7    and name HN  ))
   (  segid "AAAA" and resid 5    and name HG2%)
      3.900     1.900     1.900 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.12304E-02 ppm1      8.694 ppm2      1.134 CV     1
 ASSI { 1058}
   (( segid "AAAA" and resid 23   and name HN  ))
   (  segid "AAAA" and resid 21   and name HD% )
      3.800     1.800     1.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.18720E-02 ppm1      7.405 ppm2      6.763 CV     1
 OR { 1058}
   (( segid "BBBB" and resid 23   and name HN  ))
   (  segid "BBBB" and resid 21   and name HD% )
 ASSI { 1059}
   (( segid "AAAA" and resid 67   and name HE21))
   (( segid "AAAA" and resid 67   and name HG2 ))
      2.500     0.800     0.800 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.24719E-02 ppm1      7.920 ppm2      2.316 CV     1
 OR { 1059}
   (( segid "BBBB" and resid 67   and name HE21))
   (( segid "BBBB" and resid 67   and name HG2 ))
 OR { 1059}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 OR { 1059}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 OR { 1059}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 58   and name HG2 ))
 OR { 1059}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 OR { 1059}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 44   and name HB2 ))
 ASSI { 1061}
   (( segid "BBBB" and resid 42   and name HA  ))
   (( segid "BBBB" and resid 45   and name HG2 ))
      2.700     0.900     0.900 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.12110E-02 ppm1      3.467 ppm2      2.293 CV     1
 OR { 1061}
   (( segid "AAAA" and resid 42   and name HA  ))
   (( segid "AAAA" and resid 45   and name HG2 ))
 ASSI { 1062}
   (( segid "BBBB" and resid 77   and name HN  ))
   (  segid "BBBB" and resid 80   and name HG2%)
      3.600     3.600     2.400 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.18474E-02 ppm1      9.268 ppm2      0.777 CV     1
 OR { 1062}
   (( segid "AAAA" and resid 77   and name HN  ))
   (  segid "AAAA" and resid 80   and name HG2%)
 ASSI { 1065}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 17   and name HN  ))
      2.800     1.000     1.000 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.16958E-02 ppm1      8.635 ppm2      8.243 CV     1
 OR { 1065}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 17   and name HN  ))
 ASSI { 1066}
   (( segid "AAAA" and resid 50   and name HA  ))
   (( segid "AAAA" and resid 48   and name HB2 ))
      3.300     3.300     2.700 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.14824E-02 ppm1      4.510 ppm2      3.364 CV     1
 OR { 1066}
   (( segid "BBBB" and resid 50   and name HA  ))
   (( segid "BBBB" and resid 48   and name HB2 ))


!NEW TEMPLATE NOE TABLE(RUN13.TBL)

ASSI {  261}
   (( segid "AAAA" and resid 25   and name HN  ))
   (( segid "AAAA" and resid 25   and name HA2 ))
      2.200     0.600     0.600 peak   261 spectrum    1 weight  0.10000E+01 volume  0.13461E-02 ppm1      7.462 ppm2      3.853 CV     1
  ASSI {  264}
   (( segid "BBBB" and resid 25   and name HN  ))
   (( segid "BBBB" and resid 26   and name HB2 ))
      2.500     2.500     3.500 peak   264 spectrum    1 weight  0.10000E+01 volume  0.66245E-03 ppm1      7.462 ppm2      2.020 CV     1
 ASSI {  266}
   (( segid "BBBB" and resid 25   and name HN  ))
   (  segid "BBBB" and resid 23   and name HE% )
      2.100     2.100     3.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.18096E-02 ppm1      7.469 ppm2      7.080 CV     1
 OR {  266}
   (( segid "BBBB" and resid 25   and name HN  ))
   (  segid "BBBB" and resid 23   and name HE% )
 ASSI {  283}
   (( segid "AAAA" and resid 25   and name HN  ))
   (( segid "AAAA" and resid 24   and name HN  ))
      2.100     0.600     0.600 peak   283 spectrum    1 weight  0.10000E+01 volume  0.18386E-02 ppm1      7.462 ppm2      8.447 CV     1
 ASSI {  299}
   (( segid "BBBB" and resid 31   and name HN  ))
   (( segid "BBBB" and resid 73   and name HB2 ))
      2.700     2.700     3.300 peak   299 spectrum    1 weight  0.10000E+01 volume  0.41084E-03 ppm1      8.290 ppm2      3.005 CV     1
 ASSI {  301}
   (( segid "BBBB" and resid 31   and name HN  ))
   (( segid "BBBB" and resid 72   and name HG2 ))
      2.600     2.600     3.400 peak   301 spectrum    1 weight  0.10000E+01 volume  0.11753E-02 ppm1      8.269 ppm2      1.719 CV     1
 OR {  301}
   (( segid "AAAA" and resid 31   and name HN  ))
   (( segid "AAAA" and resid 72   and name HG2 ))
 ASSI {  308}
   (( segid "AAAA" and resid 31   and name HN  ))
   (( segid "AAAA" and resid 32   and name HN  ))
      2.100     2.100     3.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.18709E-02 ppm1      8.276 ppm2      7.025 CV     1
 ASSI {  453}
   (( segid "AAAA" and resid 94   and name HN  ))
   (( segid "AAAA" and resid 93   and name HB2 ))
      2.000     2.000     4.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.24454E-02 ppm1      7.839 ppm2      1.665 CV     1
 ASSI {  456}
   (( segid "AAAA" and resid 94   and name HN  ))
   (( segid "AAAA" and resid 93   and name HN  ))
      2.400     0.700     0.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.82076E-03 ppm1      7.839 ppm2      7.517 CV     1
 ASSI {  459}
   (( segid "AAAA" and resid 94   and name HN  ))
   (( segid "AAAA" and resid 93   and name HG  ))
      2.100     2.100     3.900 peak   459 spectrum    1 weight  0.10000E+01 volume  0.20991E-02 ppm1      7.839 ppm2      1.391 CV     1
 ASSI {  526}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
      1.100     1.100     4.900 peak   526 spectrum    1 weight  0.10000E+01 volume  0.11271E-02 ppm1      7.066 ppm2      3.661 CV     1
 ASSI {  528}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 31   and name HN  ))
      0.900     0.900     5.100 peak   528 spectrum    1 weight  0.10000E+01 volume  0.19105E-02 ppm1      7.066 ppm2      8.256 CV     1
 OR {  528}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 31   and name HN  ))
 ASSI {  535}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 33   and name HB2 ))
      2.000     2.000     4.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.97192E-03 ppm1      7.066 ppm2      1.993 CV     1
 ASSI {  543}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 32   and name HA  ))
      2.300     0.700     0.700 peak   543 spectrum    1 weight  0.10000E+01 volume  0.10244E-02 ppm1      7.066 ppm2      5.138 CV     1
 ASSI {  547}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 31   and name HA1  ))
      2.000     2.000     4.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.14818E-02 ppm1      7.066 ppm2      3.825 CV     1
 OR {  547}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 31   and name HA1  ))
 ASSI {  555}
   (( segid "AAAA" and resid 32   and name HN  ))
   (( segid "AAAA" and resid 70   and name HB2 ))
      2.300     2.300     3.700 peak   555 spectrum    1 weight  0.10000E+01 volume  0.11508E-02 ppm1      7.073 ppm2      1.747 CV     1
 OR {  555}
   (( segid "BBBB" and resid 32   and name HN  ))
   (( segid "BBBB" and resid 72   and name HG2 ))
 ASSI {  612}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 43   and name HB  ))
      2.100     0.600     0.600 peak   612 spectrum    1 weight  0.10000E+01 volume  0.19882E-02 ppm1      7.921 ppm2      4.071 CV     1
 ASSI {  623}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 44   and name HB2 ))
      2.700     2.700     3.300 peak   623 spectrum    1 weight  0.10000E+01 volume  0.79702E-03 ppm1      7.921 ppm2      2.321 CV     1
 OR {  623}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 44   and name HB2 ))
 ASSI {  624}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 42   and name HN  ))
      0.600     0.600     5.400 peak   624 spectrum    1 weight  0.10000E+01 volume  0.26453E-02 ppm1      7.927 ppm2      8.447 CV     1
 ASSI {  628}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 43   and name HA  ))
      0.600     0.600     5.400 peak   628 spectrum    1 weight  0.10000E+01 volume  0.18091E-02 ppm1      7.927 ppm2      3.798 CV     1
 OR {  628}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 43   and name HA  ))
 ASSI {  633}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 42   and name HA  ))
      2.200     2.200     3.800 peak   633 spectrum    1 weight  0.10000E+01 volume  0.14000E-02 ppm1      7.927 ppm2      3.470 CV     1
 ASSI {  651}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 47   and name HD1 ))
      2.800     2.800     3.200 peak   651 spectrum    1 weight  0.10000E+01 volume  0.38848E-03 ppm1      7.893 ppm2      3.224 CV     1
 OR {  651}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 47   and name HD2 ))
 ASSI {  657}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 39   and name HB2 ))
      1.100     1.100     4.900 peak   657 spectrum    1 weight  0.10000E+01 volume  0.13569E-02 ppm1      7.914 ppm2      1.993 CV     1
 OR {  657}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 58   and name HB2 ))
 ASSI {  714}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 61   and name HN  ))
      2.300     0.700     0.700 peak   714 spectrum    1 weight  0.10000E+01 volume  0.23614E-02 ppm1      7.797 ppm2      7.162 CV     1
 OR {  714}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 61   and name HN  ))
 ASSI {  715}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 61   and name HG2 ))
      2.700     0.900     0.900 peak   715 spectrum    1 weight  0.10000E+01 volume  0.87063E-03 ppm1      7.797 ppm2      1.391 CV     1
 OR {  715}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 61   and name HG2 ))
 ASSI {  718}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 63   and name HN  ))
      2.200     0.600     0.600 peak   718 spectrum    1 weight  0.10000E+01 volume  0.28362E-02 ppm1      7.797 ppm2      7.517 CV     1
 OR {  718}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 63   and name HN  ))
 ASSI {  719}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 61   and name HB2 ))
      1.900     1.900     4.100 peak   719 spectrum    1 weight  0.10000E+01 volume  0.33423E-02 ppm1      7.797 ppm2      1.911 CV     1
 ASSI {  723}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 62   and name HB  ))
      2.500     0.800     0.800 peak   723 spectrum    1 weight  0.10000E+01 volume  0.72049E-03 ppm1      7.797 ppm2      3.962 CV     1
 ASSI {  725}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 61   and name HD2 ))
      2.400     2.400     3.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.16015E-02 ppm1      7.804 ppm2      1.665 CV     1
 OR {  725}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 61   and name HD2 ))
 OR {  725}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 63   and name HB2 ))
 ASSI {  728}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 62   and name HA  ))
      2.700     0.900     0.900 peak   728 spectrum    1 weight  0.10000E+01 volume  0.47683E-03 ppm1      7.797 ppm2      4.181 CV     1
 ASSI {  730}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 62   and name HG1 ))
      1.600     0.300     0.600 peak   730 spectrum    1 weight  0.10000E+01 volume  0.30857E-02 ppm1      7.797 ppm2      1.227 CV     1
 ASSI {  754}
   (( segid "AAAA" and resid 67   and name HE21))
   (( segid "AAAA" and resid 67   and name HG2 ))
      2.200     0.600     0.600 peak   754 spectrum    1 weight  0.10000E+01 volume  0.15368E-02 ppm1      7.866 ppm2      2.294 CV     1
 ASSI {  764}
   (( segid "AAAA" and resid 67   and name HE22))
   (( segid "AAAA" and resid 67   and name HG2 ))
      2.400     0.700     0.700 peak   764 spectrum    1 weight  0.10000E+01 volume  0.90902E-03 ppm1      6.840 ppm2      2.294 CV     1
 ASSI {  766}
   (( segid "BBBB" and resid 67   and name HE22))
   (( segid "BBBB" and resid 76   and name HN  ))
      6.500     4.700     1.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.17471E-02 ppm1      6.840 ppm2      7.845 CV     1
 OR {  766}
   (( segid "AAAA" and resid 67   and name HE22))
   (( segid "AAAA" and resid 76   and name HN  ))
 ASSI {  770}
   (( segid "AAAA" and resid 67   and name HE22))
   (( segid "AAAA" and resid 67   and name HB2 ))
      2.300     2.300     3.700 peak   770 spectrum    1 weight  0.10000E+01 volume  0.86274E-03 ppm1      6.833 ppm2      2.184 CV     1
 ASSI {  777}
   (( segid "BBBB" and resid 54   and name HN  ))
   (( segid "BBBB" and resid 55   and name HB2 ))
      2.400     2.400     3.600 peak   777 spectrum    1 weight  0.10000E+01 volume  0.95907E-03 ppm1      8.550 ppm2      3.771 CV     1
 ASSI {  780}
   (( segid "BBBB" and resid 54   and name HN  ))
   (( segid "BBBB" and resid 51   and name HB2 ))
      2.300     2.300     3.700 peak   780 spectrum    1 weight  0.10000E+01 volume  0.41441E-03 ppm1      8.550 ppm2      1.774 CV     1
 ASSI {  781}
   (( segid "BBBB" and resid 54   and name HN  ))
   (( segid "BBBB" and resid 53   and name HB  ))
      2.400     2.400     3.600 peak   781 spectrum    1 weight  0.10000E+01 volume  0.98631E-03 ppm1      8.550 ppm2      2.075 CV     1
 ASSI {  783}
   (( segid "BBBB" and resid 54   and name HN  ))
   (( segid "BBBB" and resid 54   and name HA1 ))
      3.800     1.800     1.800 peak   783 spectrum    1 weight  0.10000E+01 volume  0.59259E-04 ppm1      8.550 ppm2      3.962 CV     1
 ASSI {  786}
   (( segid "BBBB" and resid 67   and name HE22))
   (( segid "BBBB" and resid 69   and name HB2  ))
      6.500     4.700     1.500 peak   786 spectrum    1 weight  0.10000E+01 volume  0.36501E-03 ppm1      6.840 ppm2      3.962 CV     1
 OR {  786}
   (( segid "AAAA" and resid 67   and name HE22))
   (( segid "AAAA" and resid 69   and name HB2 ))
 ASSI {  788}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 8    and name HA  ))
      2.900     2.900     3.100 peak   788 spectrum    1 weight  0.10000E+01 volume  0.57187E-03 ppm1      8.700 ppm2      4.099 CV     1
 OR {  788}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 8    and name HA  ))
 OR {  788}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {  788}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 5    and name HA  ))
 ASSI {  793}
   (( segid "AAAA" and resid 7    and name HN  ))
   (( segid "AAAA" and resid 9    and name HB2 ))
      1.500     1.500     4.500 peak   793 spectrum    1 weight  0.10000E+01 volume  0.21038E-02 ppm1      8.693 ppm2      1.665 CV     1
 ASSI {  794}
   (( segid "AAAA" and resid 7    and name HN  ))
   (  segid "AAAA" and resid 7    and name HG2%)
      2.100     2.100     3.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.22221E-02 ppm1      8.693 ppm2      1.391 CV     1
 ASSI {  817}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 46   and name HB2 ))
      2.300     2.300     3.700 peak   817 spectrum    1 weight  0.10000E+01 volume  0.10191E-02 ppm1      8.303 ppm2      1.665 CV     1
 ASSI {  821}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 45   and name HB2 ))
      0.600     0.000     1.600 peak   821 spectrum    1 weight  0.10000E+01 volume  0.13610E-02 ppm1      8.303 ppm2      1.856 CV     1
 ASSI {  822}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 45   and name HA  ))
      0.600     0.600     5.400 peak   822 spectrum    1 weight  0.10000E+01 volume  0.57170E-03 ppm1      8.303 ppm2      3.442 CV     1
 OR {  822}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 45   and name HA  ))
 ASSI {  824}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 43   and name HN  ))
      2.700     0.900     0.900 peak   824 spectrum    1 weight  0.10000E+01 volume  0.41199E-03 ppm1      8.331 ppm2      7.955 CV     1
 ASSI {  826}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 44   and name HN  ))
      0.400     0.000     1.800 peak   826 spectrum    1 weight  0.10000E+01 volume  0.28067E-02 ppm1      8.303 ppm2      7.298 CV     1
 OR {  826}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 44   and name HN  ))
 ASSI {  828}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 3    and name HA  ))
      1.700     1.700     4.300 peak   828 spectrum    1 weight  0.10000E+01 volume  0.10215E-02 ppm1      8.310 ppm2      4.263 CV     1
 OR {  828}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 41   and name HA  ))
 ASSI {  830}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 45   and name HG2 ))
      0.700     0.700     5.300 peak   830 spectrum    1 weight  0.10000E+01 volume  0.24156E-02 ppm1      8.303 ppm2      2.294 CV     1
 OR {  830}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 45   and name HG2 ))
 ASSI {  841}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 46   and name HG  ))
      1.100     1.100     4.900 peak   841 spectrum    1 weight  0.10000E+01 volume  0.76181E-03 ppm1      8.303 ppm2      1.446 CV     1
 OR {  841}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 46   and name HG ))
 ASSI {  855}
   (( segid "BBBB" and resid 74   and name HN  ))
   (( segid "BBBB" and resid 73   and name HB2 ))
      2.300     0.700     0.700 peak   855 spectrum    1 weight  0.10000E+01 volume  0.11454E-02 ppm1      8.932 ppm2      2.977 CV     1
 ASSI {  857}
   (( segid "BBBB" and resid 74   and name HN  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
      2.700     0.900     0.900 peak   857 spectrum    1 weight  0.10000E+01 volume  0.87602E-03 ppm1      8.932 ppm2      2.266 CV     1
 OR {  857}
   (( segid "AAAA" and resid 74   and name HN  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 ASSI {  858}
   (( segid "BBBB" and resid 74   and name HN  ))
   (( segid "BBBB" and resid 76   and name HA  ))
      2.000     2.000     4.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.29617E-02 ppm1      8.932 ppm2      4.071 CV     1
 ASSI {  861}
   (( segid "BBBB" and resid 74   and name HN  ))
   (( segid "BBBB" and resid 73   and name HN  ))
      2.600     0.800     0.800 peak   861 spectrum    1 weight  0.10000E+01 volume  0.59574E-03 ppm1      8.939 ppm2      9.486 CV     1
 ASSI {  871}
   (( segid "BBBB" and resid 74   and name HN  ))
   (  segid "BBBB" and resid 73   and name HD% )
      2.300     0.700     0.700 peak   871 spectrum    1 weight  0.10000E+01 volume  0.10529E-02 ppm1      8.932 ppm2      6.560 CV     1
 ASSI {  878}
   (( segid "BBBB" and resid 74   and name HN  ))
   (( segid "BBBB" and resid 75   and name HN  ))
      2.300     0.600     0.600 peak   878 spectrum    1 weight  0.10000E+01 volume  0.12391E-02 ppm1      8.926 ppm2      7.080 CV     1
 ASSI {  895}
   (( segid "BBBB" and resid 74   and name HN  ))
   (( segid "BBBB" and resid 71   and name HG  ))
      2.700     2.700     3.300 peak   895 spectrum    1 weight  0.10000E+01 volume  0.44918E-03 ppm1      8.912 ppm2      1.446 CV     1
 ASSI {  922}
   (( segid "AAAA" and resid 45   and name HE21))
   (( segid "BBBB" and resid 1    and name HB2 ))
      2.400     2.400     3.600 peak   922 spectrum    1 weight  0.10000E+01 volume  0.57983E-03 ppm1      7.633 ppm2      1.993 CV     1
 OR {  922}
   (( segid "BBBB" and resid 45   and name HE21))
   (( segid "AAAA" and resid 1    and name HB2 ))
 ASSI {  971}
   (( segid "AAAA" and resid 67   and name HN  ))
   (( segid "AAAA" and resid 68   and name HN  ))
      2.200     0.600     0.600 peak   971 spectrum    1 weight  0.10000E+01 volume  0.13942E-02 ppm1      7.777 ppm2      8.365 CV     1
 ASSI {  976}
   (( segid "BBBB" and resid 55   and name HN  ))
   (( segid "BBBB" and resid 55   and name HB2 ))
      1.900     0.400     0.400 peak   976 spectrum    1 weight  0.10000E+01 volume  0.32955E-02 ppm1      7.955 ppm2      3.743 CV     1
 ASSI {  977}
   (( segid "BBBB" and resid 67   and name HN  ))
   (( segid "BBBB" and resid 68   and name HN  ))
      1.000     1.000     5.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.56713E-03 ppm1      7.763 ppm2     10.361 CV     1
 OR {  977}
   (( segid "AAAA" and resid 67   and name HN  ))
   (( segid "AAAA" and resid 68   and name HN  ))
 ASSI {  978}
   (( segid "BBBB" and resid 67   and name HN  ))
   (( segid "BBBB" and resid 35   and name HA  ))
      0.800     0.800     5.200 peak   978 spectrum    1 weight  0.10000E+01 volume  0.25693E-02 ppm1      7.784 ppm2      3.907 CV     1
 OR {  978}
   (( segid "AAAA" and resid 67   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
 
 ASSI {  979}
   (( segid "AAAA" and resid 67   and name HN  ))
   (( segid "AAAA" and resid 67   and name HG2 ))
      1.100     1.100     4.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.87132E-03 ppm1      7.784 ppm2      2.212 CV     1
 OR {  979}
   (( segid "BBBB" and resid 67   and name HN  ))
   (( segid "BBBB" and resid 67   and name HG2 ))
 
 ASSI {  988}
   (( segid "BBBB" and resid 66   and name HN  ))
   (( segid "BBBB" and resid 66   and name HA  ))
      2.200     0.600     0.600 peak   988 spectrum    1 weight  0.10000E+01 volume  0.26939E-02 ppm1      7.852 ppm2      4.810 CV     1
 OR {  988}
   (( segid "AAAA" and resid 66   and name HN  ))
   (( segid "AAAA" and resid 66   and name HA  ))
 ASSI {  998}
   (( segid "AAAA" and resid 66   and name HN  ))
   (( segid "AAAA" and resid 66   and name HB2 ))
      2.500     0.800     0.800 peak   998 spectrum    1 weight  0.10000E+01 volume  0.13202E-02 ppm1      7.852 ppm2      3.224 CV     1
 OR {  998}
   (( segid "BBBB" and resid 66   and name HN  ))
   (( segid "BBBB" and resid 66   and name HB2 ))
 ASSI {  999}
   (( segid "BBBB" and resid 66   and name HN  ))
   (( segid "BBBB" and resid 64   and name HB2 ))
      2.500     2.500     3.500 peak   999 spectrum    1 weight  0.10000E+01 volume  0.77645E-03 ppm1      7.804 ppm2      2.841 CV     1
 ASSI { 1014}
   (( segid "AAAA" and resid 5    and name HN  ))
   (( segid "BBBB" and resid 51   and name HG2 ))
      2.500     2.500     3.500 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.13906E-02 ppm1      7.907 ppm2      1.337 CV     1
 OR { 1014}
   (( segid "BBBB" and resid 5    and name HN  ))
   (( segid "AAAA" and resid 51   and name HG2 ))
 ASSI { 1028}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 20   and name HA  ))
      1.700     1.700     4.300 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.12734E-02 ppm1      7.319 ppm2      4.345 CV     1
 OR { 1028}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 20   and name HA  ))
 ASSI { 1031}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 38   and name HB2 ))
      2.800     2.800     3.200 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.46006E-03 ppm1     10.368 ppm2      3.060 CV     1
 OR { 1031}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 38   and name HB2 ))
 ASSI { 1032}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 34   and name HN  ))
      0.600     0.600     5.400 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.32467E-02 ppm1     10.368 ppm2      8.365 CV     1
 OR { 1032}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 34   and name HN  ))
 ASSI { 1033}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 20   and name HB2 ))
      2.300     0.700     0.700 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.20678E-02 ppm1      7.312 ppm2      3.032 CV     1
 OR { 1033}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 20   and name HB2 ))
 ASSI { 1037}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 69   and name HB2 ))
      2.400     0.700     0.700 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.15884E-02 ppm1     10.375 ppm2      3.962 CV     1
 OR { 1037}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 69   and name HB2 ))
 ASSI { 1039}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 20   and name HN  ))
      2.400     0.700     0.700 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.17172E-02 ppm1      7.312 ppm2      6.998 CV     1
 OR { 1039}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 20   and name HN  ))
 ASSI { 1041}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
      1.800     1.800     4.200 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.10377E-02 ppm1     10.368 ppm2      2.266 CV     1
 OR { 1041}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
 OR { 1041}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 ASSI { 1042}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 70   and name HN  ))
      2.000     0.500     0.500 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.26164E-02 ppm1     10.368 ppm2      7.572 CV     1
 ASSI { 1043}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 68   and name HA  ))
      2.400     0.700     0.700 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.10864E-02 ppm1     10.368 ppm2      4.810 CV     1
 OR { 1043}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 66   and name HA  ))
 OR { 1043}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 66   and name HA  ))
 ASSI { 1044}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 68   and name HN  ))
      1.000     1.000     5.000 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.75525E-03 ppm1     10.368 ppm2      7.763 CV     1
 OR { 1044}
   (( segid "BBBB" and resid 69   and name HN  ))
   (( segid "BBBB" and resid 68   and name HN  ))
 ASSI { 1047}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 17   and name HA  ))
      2.800     1.000     1.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.76995E-03 ppm1      7.319 ppm2      4.126 CV     1
 OR { 1047}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 17   and name HA  ))
 ASSI { 1048}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 21   and name HB2 ))
      2.400     0.700     0.700 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.19035E-02 ppm1      7.312 ppm2      3.278 CV     1
 OR { 1048}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 21   and name HB2 ))
 ASSI { 1049}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 69   and name HA  ))
      2.400     0.700     0.700 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.85515E-03 ppm1     10.368 ppm2      4.290 CV     1
 ASSI { 1052}
   (( segid "AAAA" and resid 21   and name HN  ))
   (  segid "AAAA" and resid 23   and name HD% )
      2.700     2.700     3.300 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.84662E-03 ppm1      7.326 ppm2      6.806 CV     1
 OR { 1052}
   (( segid "BBBB" and resid 21   and name HN  ))
   (  segid "BBBB" and resid 23   and name HD% )
 ASSI { 1054}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 19   and name HB  ))
      2.700     2.700     3.300 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.80160E-03 ppm1      7.305 ppm2      5.603 CV     1
 OR { 1054}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 19   and name HB  ))
 ASSI { 1055}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 21   and name HA  ))
      2.100     0.500     0.500 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.23371E-02 ppm1      7.326 ppm2      3.825 CV     1
 ASSI { 1057}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 17   and name HB  ))
      2.300     2.300     3.700 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.12545E-02 ppm1      7.326 ppm2      2.266 CV     1
 OR { 1057}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 OR { 1057}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
 ASSI { 1059}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 71   and name HG  ))
      2.000     2.000     4.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.39778E-03 ppm1     10.361 ppm2      1.501 CV     1
 OR { 1059}
   (( segid "AAAA" and resid 69   and name HN  ))
   (( segid "AAAA" and resid 79   and name HG  ))
 ASSI { 1066}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 84   and name HN  ))
      2.100     0.500     0.500 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.20751E-02 ppm1      7.333 ppm2      8.666 CV     1
 ASSI { 1088}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 25   and name HN  ))
      2.900     2.900     3.100 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.52910E-03 ppm1      9.787 ppm2      8.912 CV     1
 OR { 1088}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 25   and name HN  ))
 ASSI { 1090}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 37   and name HB2 ))
      2.500     2.500     3.500 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.10798E-02 ppm1      7.339 ppm2      2.075 CV     1
 OR { 1090}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 37   and name HB2 ))
 OR { 1090}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 82   and name HB2 ))
 ASSI { 1095}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 85   and name HB2 ))
      2.400     0.700     0.700 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.84161E-03 ppm1      7.346 ppm2      1.747 CV     1
 ASSI { 1098}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 83   and name HG  ))
      2.300     2.300     3.700 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.21388E-02 ppm1      7.346 ppm2      1.419 CV     1
 OR { 1098}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 OR { 1098}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 OR { 1098}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 ASSI { 1108}
   (( segid "BBBB" and resid 30   and name HN  ))
   (( segid "BBBB" and resid 30   and name HA  ))
      2.000     2.000     4.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.28420E-02 ppm1      9.767 ppm2      4.345 CV     1
 ASSI { 1114}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 71   and name HN  ))
      2.600     2.600     3.400 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.60755E-03 ppm1      7.579 ppm2      7.271 CV     1
 OR { 1114}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 71   and name HN  ))
 ASSI { 1122}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 68   and name HB2 ))
      2.500     2.500     3.500 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.63915E-03 ppm1      7.592 ppm2      3.114 CV     1
 ASSI { 1123}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      2.100     0.500     0.500 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.22415E-02 ppm1      8.768 ppm2      4.454 CV     1
 ASSI { 1126}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 70   and name HA  ))
      2.400     0.700     0.700 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.16843E-02 ppm1      7.592 ppm2      4.919 CV     1
 OR { 1126}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 70   and name HA  ))
 ASSI { 1128}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 35   and name HB  ))
      1.900     1.900     4.100 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.33277E-02 ppm1      8.768 ppm2      1.993 CV     1
 ASSI { 1129}
   (( segid "BBBB" and resid 35   and name HN  ))
   (( segid "BBBB" and resid 34   and name HA  ))
      2.100     0.500     0.500 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.22484E-02 ppm1      8.768 ppm2      4.892 CV     1
 ASSI { 1131}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 34   and name HA  ))
      0.800     0.800     5.200 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.19149E-02 ppm1      8.768 ppm2      3.442 CV     1
 OR { 1131}
   (( segid "BBBB" and resid 35   and name HN  ))
   (( segid "BBBB" and resid 34   and name HA  ))
 ASSI { 1132}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 68   and name HN  ))
      2.300     2.300     3.700 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.13075E-02 ppm1      7.599 ppm2      8.365 CV     1
 ASSI { 1144}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 71   and name HG  ))
      2.100     2.100     3.900 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.20601E-02 ppm1      7.592 ppm2      1.501 CV     1
 OR { 1144}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 78   and name HG2 ))
 ASSI { 1150}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 25   and name HA1 ))
      2.600     2.600     3.400 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.11754E-02 ppm1      9.767 ppm2      4.126 CV     1
 OR { 1150}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 25   and name HA1 ))
 ASSI { 1153}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 69   and name HA  ))
      1.600     1.600     4.400 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.27968E-02 ppm1      7.592 ppm2      3.661 CV     1
 ASSI { 1154}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 71   and name HN  ))
      1.200     1.200     4.800 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.33492E-02 ppm1      7.599 ppm2     10.334 CV     1
 ASSI { 1163}
   (( segid "AAAA" and resid 68   and name HN  ))
   (( segid "AAAA" and resid 67   and name HB2 ))
      0.500     0.500     5.500 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.12226E-02 ppm1      9.780 ppm2      2.184 CV     1
 OR { 1163}
   (( segid "BBBB" and resid 68   and name HN  ))
   (( segid "BBBB" and resid 67   and name HB2 ))
 ASSI { 1166}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 69   and name HA  ))
      2.600     0.800     0.800 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.56212E-03 ppm1      7.586 ppm2      4.290 CV     1
 ASSI { 1167}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 25   and name HN  ))
      2.700     2.700     3.300 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.83602E-03 ppm1      9.787 ppm2      7.435 CV     1
 OR { 1167}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 25   and name HN  ))
 ASSI { 1168}
   (( segid "AAAA" and resid 27   and name HN  ))
   (( segid "AAAA" and resid 26   and name HB2 ))
      0.500     0.500     5.500 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.23900E-02 ppm1      9.787 ppm2      2.020 CV     1
 OR { 1168}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 26   and name HB2 ))
 ASSI { 1169}
   (( segid "BBBB" and resid 48   and name HN  ))
   (( segid "BBBB" and resid 46   and name HN  ))
      2.400     2.400     3.600 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.94798E-03 ppm1      9.753 ppm2      7.271 CV     1
 ASSI { 1183}
   (( segid "BBBB" and resid 27   and name HN  ))
   (( segid "BBBB" and resid 27   and name HB2 ))
      3.200     1.300     1.300 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.14997E-03 ppm1      9.780 ppm2      1.774 CV     1
 ASSI { 1198}
   (( segid "AAAA" and resid 44   and name HN  ))
   (( segid "AAAA" and resid 46   and name HN  ))
      2.300     2.300     3.700 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.13257E-02 ppm1      8.440 ppm2      7.271 CV     1
 ASSI { 1199}
   (( segid "AAAA" and resid 44   and name HN  ))
   (( segid "AAAA" and resid 44   and name HA  ))
      2.000     0.500     0.500 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.20478E-02 ppm1      8.447 ppm2      4.263 CV     1
 ASSI { 1202}
   (( segid "BBBB" and resid 80   and name HN  ))
   (( segid "BBBB" and resid 78   and name HB2 ))
      2.900     2.900     3.100 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.45546E-03 ppm1      7.517 ppm2      1.938 CV     1
 OR { 1202}
   (( segid "AAAA" and resid 80   and name HN  ))
   (( segid "AAAA" and resid 78   and name HB2 ))
 ASSI { 1204}
   (( segid "BBBB" and resid 48   and name HN  ))
   (( segid "BBBB" and resid 50   and name HN  ))
      2.300     2.300     3.700 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.10894E-02 ppm1      9.746 ppm2      7.763 CV     1
 ASSI { 1212}
   (( segid "BBBB" and resid 80   and name HN  ))
   (  segid "BBBB" and resid 76   and name HD% )
      1.100     1.100     4.900 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.13227E-02 ppm1      7.497 ppm2      6.888 CV     1
 ASSI { 1219}
   (( segid "AAAA" and resid 80   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
      2.500     0.800     0.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.79175E-03 ppm1      7.510 ppm2      3.224 CV     1
 ASSI { 1221}
   (( segid "BBBB" and resid 80   and name HN  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
      2.400     2.400     3.600 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.83449E-03 ppm1      7.490 ppm2      2.294 CV     1
 ASSI { 1269}
   (( segid "AAAA" and resid 20   and name HN  ))
   (  segid "AAAA" and resid 20   and name HE% )
      0.600     0.600     5.400 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.21138E-02 ppm1      7.777 ppm2      7.107 CV     1
 OR { 1269}
   (( segid "BBBB" and resid 20   and name HN  ))
   (  segid "BBBB" and resid 20   and name HE% )
 ASSI { 1285}
   (( segid "BBBB" and resid 48   and name HN  ))
   (( segid "BBBB" and resid 48   and name HD2 ))
      0.300     0.300     5.700 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.12611E-02 ppm1      7.428 ppm2      8.720 CV     1
 OR { 1285}
   (( segid "AAAA" and resid 48   and name HN  ))
   (( segid "AAAA" and resid 48   and name HD2 ))
 ASSI { 1291}
   (( segid "AAAA" and resid 23   and name HN  ))
   (( segid "AAAA" and resid 24   and name HN  ))
      2.500     0.800     0.800 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.13436E-02 ppm1      7.421 ppm2      8.447 CV     1
 OR { 1291}
   (( segid "BBBB" and resid 23   and name HN  ))
   (( segid "BBBB" and resid 24   and name HN  ))
 ASSI { 1293}
   (( segid "BBBB" and resid 23   and name HN  ))
   (( segid "BBBB" and resid 23   and name HB2 ))
      0.300     0.000     1.900 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.13767E-02 ppm1      7.428 ppm2      2.731 CV     1
 OR { 1293}
   (( segid "AAAA" and resid 23   and name HN  ))
   (( segid "AAAA" and resid 22   and name HB  ))
 ASSI { 1295}
   (( segid "AAAA" and resid 23   and name HN  ))
   (( segid "AAAA" and resid 22   and name HA  ))
      0.900     0.900     5.100 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.86440E-03 ppm1      7.421 ppm2      3.962 CV     1
 OR { 1295}
   (( segid "BBBB" and resid 23   and name HN  ))
   (( segid "BBBB" and resid 22   and name HA  ))
 ASSI { 1306}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 38   and name HB2 ))
      2.100     2.100     3.900 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.21614E-02 ppm1      8.413 ppm2      3.060 CV     1
 ASSI { 1307}
   (( segid "BBBB" and resid 23   and name HN  ))
   (( segid "BBBB" and resid 19   and name HA  ))
      1.400     1.400     4.600 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.13718E-02 ppm1      7.428 ppm2      4.290 CV     1
 OR { 1307}
   (( segid "AAAA" and resid 23   and name HN  ))
   (( segid "AAAA" and resid 19   and name HA  ))
 ASSI { 1309}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 51   and name HN  ))
      2.000     2.000     4.000 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.27613E-02 ppm1      8.399 ppm2      7.107 CV     1
 ASSI { 1312}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 46   and name HA  ))
      2.100     2.100     3.900 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.19166E-02 ppm1      8.433 ppm2      3.470 CV     1
 OR { 1312}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 42   and name HA  ))
 ASSI { 1315}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 23   and name HB2 ))
      1.500     1.500     4.500 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.13959E-03 ppm1      8.399 ppm2      2.759 CV     1
 OR { 1315}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 23   and name HB2 ))
 ASSI { 1317}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      2.000     2.000     4.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.26126E-02 ppm1      8.399 ppm2      1.309 CV     1
 ASSI { 1322}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 39   and name HA  ))
      2.000     0.500     0.500 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.19640E-02 ppm1      8.392 ppm2      3.989 CV     1
 OR { 1322}
   (( segid "AAAA" and resid 68   and name HN  ))
   (( segid "AAAA" and resid 67   and name HA  ))
 ASSI { 1323}
   (( segid "AAAA" and resid 93   and name HN  ))
   (( segid "AAAA" and resid 93   and name HB2 ))
      2.200     0.600     0.600 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.14098E-02 ppm1      7.545 ppm2      1.665 CV     1
 ASSI { 1330}
   (( segid "AAAA" and resid 93   and name HN  ))
   (( segid "AAAA" and resid 92   and name HN  ))
      1.900     0.500     0.500 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.33826E-02 ppm1      7.565 ppm2      8.064 CV     1
 ASSI { 1331}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 86   and name HB2 ))
      2.400     2.400     3.600 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.12349E-02 ppm1      7.880 ppm2      2.130 CV     1
 ASSI { 1332}
   (( segid "BBBB" and resid 68   and name HN  ))
   (( segid "BBBB" and resid 71   and name HN  ))
      0.800     0.800     5.200 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.95147E-03 ppm1      8.379 ppm2     10.334 CV     1
 OR { 1332}
   (( segid "AAAA" and resid 68   and name HN  ))
   (( segid "AAAA" and resid 71   and name HN  ))
 ASSI { 1333}
   (( segid "AAAA" and resid 24   and name HN  ))
   (( segid "AAAA" and resid 23   and name HN  ))
      2.800     1.000     1.000 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.56244E-03 ppm1      8.488 ppm2      7.435 CV     1
 OR { 1333}
   (( segid "BBBB" and resid 24   and name HN  ))
   (( segid "BBBB" and resid 23   and name HN  ))
 ASSI { 1335}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 11   and name HN  ))
      2.300     0.600     0.600 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.13072E-02 ppm1      7.880 ppm2      9.240 CV     1
 ASSI { 1337}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 9    and name HN  ))
      2.200     0.600     0.600 peak  1337 spectrum    1 weight  0.10000E+01 volume  0.15463E-02 ppm1      7.880 ppm2      8.638 CV     1
 ASSI { 1339}
   (( segid "AAAA" and resid 24   and name HN  ))
   (( segid "AAAA" and resid 24   and name HA  ))
      2.100     0.600     0.600 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.20189E-02 ppm1      8.481 ppm2      3.689 CV     1
 ASSI { 1341}
   (( segid "AAAA" and resid 68   and name HN  ))
   (( segid "AAAA" and resid 67   and name HN  ))
      1.900     0.500     0.500 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.33302E-02 ppm1      8.385 ppm2      7.763 CV     1
 ASSI { 1351}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 33   and name HB2 ))
      0.600     0.000     1.600 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.16548E-02 ppm1      7.251 ppm2      1.966 CV     1
 OR { 1351}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 33   and name HB2 ))
 ASSI { 1353}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 50   and name HG  ))
      5.500     3.600     1.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.16503E-02 ppm1      8.399 ppm2      1.501 CV     1
 ASSI { 1356}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 83   and name HA  ))
      2.400     2.400     3.600 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.84423E-03 ppm1      8.030 ppm2      3.552 CV     1
 ASSI { 1357}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 10   and name HG2 ))
      2.300     0.700     0.700 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.12036E-02 ppm1      7.886 ppm2      2.403 CV     1
 ASSI { 1358}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
      2.300     0.700     0.700 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.10243E-02 ppm1      7.886 ppm2      3.689 CV     1
 ASSI { 1363}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 8    and name HG2 ))
      2.500     2.500     3.500 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.13064E-02 ppm1      7.880 ppm2      2.266 CV     1
 OR { 1363}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "AAAA" and resid 8    and name HG2 ))
 ASSI { 1365}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 77   and name HN  ))
      2.500     0.800     0.800 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.13364E-02 ppm1      7.244 ppm2      9.295 CV     1
 OR { 1365}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 77   and name HN  ))
 ASSI { 1366}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 77   and name HA  ))
      3.000     1.100     1.100 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.51588E-03 ppm1      7.251 ppm2      3.743 CV     1
 OR { 1366}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 77   and name HA  ))
 ASSI { 1370}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 78   and name HG2 ))
      2.200     0.600     0.600 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.14042E-02 ppm1      7.244 ppm2      1.555 CV     1
 ASSI { 1371}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 78   and name HA  ))
      2.000     0.500     0.500 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.31170E-02 ppm1      7.251 ppm2      3.989 CV     1
 ASSI { 1373}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 67   and name HE22))
      6.500     4.700     1.000 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.19961E-02 ppm1      7.251 ppm2      6.888 CV     1
 ASSI { 1377}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 75   and name HA  ))
      2.700     2.700     3.300 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.98073E-03 ppm1      7.244 ppm2      4.400 CV     1
 OR { 1377}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 75   and name HA  ))
 ASSI { 1381}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 77   and name HB2 ))
      2.500     2.500     3.500 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.13059E-02 ppm1      7.251 ppm2      3.032 CV     1
 OR { 1381}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 77   and name HB2 ))
 ASSI { 1384}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 61   and name HN  ))
      2.100     0.500     0.500 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.21788E-02 ppm1      8.242 ppm2      7.162 CV     1
 ASSI { 1388}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 94   and name HN  ))
      2.200     0.600     0.600 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.33677E-02 ppm1      7.565 ppm2      7.818 CV     1
 OR { 1388}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 94   and name HN  ))
 ASSI { 1389}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 19   and name HA  ))
      2.300     2.300     3.700 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.12333E-02 ppm1      7.018 ppm2      4.318 CV     1
 ASSI { 1394}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 22   and name HN  ))
      3.000     1.100     1.100 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.45539E-03 ppm1      7.025 ppm2      8.720 CV     1
 OR { 1394}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 22   and name HN  ))
 ASSI { 1399}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 60   and name HA  ))
      2.100     0.500     0.500 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.22313E-02 ppm1      8.242 ppm2      3.306 CV     1
 ASSI { 1405}
   (( segid "AAAA" and resid 78   and name HN  ))
   (  segid "AAAA" and resid 76   and name HE% )
      2.700     2.700     3.300 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.49248E-03 ppm1      7.230 ppm2      6.697 CV     1
 OR { 1405}
   (( segid "AAAA" and resid 78   and name HN  ))
   (  segid "AAAA" and resid 21   and name HD% )
 ASSI { 1406}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 19   and name HG1 ))
      1.600     0.300     0.600 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.54365E-03 ppm1      7.025 ppm2      1.227 CV     1
 ASSI { 1407}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 21   and name HN  ))
      2.300     0.700     0.700 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.10212E-02 ppm1      7.032 ppm2      7.298 CV     1
 ASSI { 1409}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 95   and name HA  ))
      3.200     1.300     1.300 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.25589E-03 ppm1      7.579 ppm2      4.044 CV     1
 OR { 1409}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 95   and name HA  ))
 OR { 1409}
   (( segid "BBBB" and resid 64   and name HN  ))
   (( segid "BBBB" and resid 61   and name HA  ))
 ASSI { 1411}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 97   and name HE2 ))
      2.600     2.600     3.400 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.56604E-03 ppm1      7.572 ppm2      3.142 CV     1
 ASSI { 1417}
   (( segid "BBBB" and resid 83   and name HN  ))
   (( segid "BBBB" and resid 86   and name HN  ))
      2.400     2.400     3.600 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.89343E-03 ppm1      8.050 ppm2      7.271 CV     1
 ASSI { 1425}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 37   and name HN  ))
      2.500     2.500     3.500 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.74653E-03 ppm1      9.213 ppm2      7.545 CV     1
 OR { 1425}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 37   and name HN  ))
 ASSI { 1435}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
      2.100     2.100     3.900 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.18791E-02 ppm1      7.230 ppm2      3.224 CV     1
 ASSI { 1436}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 20   and name HA  ))
      2.400     0.700     0.700 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.17073E-02 ppm1      7.025 ppm2      3.442 CV     1
 OR { 1436}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 20   and name HA  ))
 ASSI { 1445}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 21   and name HB2 ))
      2.500     0.800     0.800 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.14416E-02 ppm1      8.748 ppm2      3.278 CV     1
 OR { 1445}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 21   and name HB2 ))
 ASSI { 1447}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 19   and name HB  ))
      2.400     0.700     0.700 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.80332E-03 ppm1      7.025 ppm2      5.603 CV     1
 ASSI { 1450}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 15   and name HB  ))
      1.900     0.500     0.500 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.33000E-02 ppm1      8.926 ppm2      4.454 CV     1
 ASSI { 1451}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      2.200     0.600     0.600 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.13966E-02 ppm1      9.226 ppm2      4.454 CV     1
 ASSI { 1454}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 37   and name HN  ))
      2.200     0.600     0.600 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.16921E-02 ppm1      9.226 ppm2      8.529 CV     1
 ASSI { 1457}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 38   and name HB2 ))
      2.300     0.700     0.700 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.21731E-02 ppm1      9.233 ppm2      3.032 CV     1
 OR { 1457}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 38   and name HB2 ))
 ASSI { 1459}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 14   and name HN  ))
      2.300     0.700     0.700 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.23217E-02 ppm1      8.926 ppm2      8.365 CV     1
 OR { 1459}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 14   and name HN  ))
 ASSI { 1462}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 20   and name HB2 ))
      2.200     2.200     3.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.15355E-02 ppm1      8.748 ppm2      3.060 CV     1
 ASSI { 1466}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 39   and name HN  ))
      2.400     0.700     0.700 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.19636E-02 ppm1      9.226 ppm2      8.420 CV     1
 OR { 1466}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 39   and name HN  ))
 ASSI { 1467}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 16   and name HA  ))
      2.700     0.900     0.900 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.46463E-03 ppm1      7.025 ppm2      3.798 CV     1
 ASSI { 1468}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
      2.100     0.600     0.600 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.20135E-02 ppm1      7.579 ppm2      3.825 CV     1
 OR { 1468}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 OR { 1468}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 ASSI { 1471}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 21   and name HA  ))
      3.200     1.300     1.300 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.16731E-03 ppm1      8.748 ppm2      3.798 CV     1
 ASSI { 1472}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 15   and name HA  ))
      2.000     0.500     0.500 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.30685E-02 ppm1      8.926 ppm2      4.126 CV     1
 ASSI { 1479}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 17   and name HB  ))
      2.300     2.300     3.700 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.22529E-02 ppm1      8.926 ppm2      2.294 CV     1
 OR { 1479}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 17   and name HB  ))
 ASSI { 1480}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 16   and name HN  ))
      2.100     0.500     0.500 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.21051E-02 ppm1      8.926 ppm2      8.611 CV     1
 ASSI { 1481}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 22   and name HB  ))
      2.800     1.000     1.000 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.36208E-03 ppm1      8.748 ppm2      4.290 CV     1
 ASSI { 1483}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 58   and name HN  ))
      2.400     0.700     0.700 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.39662E-03 ppm1      8.228 ppm2      7.763 CV     1
 OR { 1483}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 58   and name HN  ))
 ASSI { 1487}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 57   and name HB2 ))
      1.300     1.300     4.700 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.13437E-02 ppm1      8.228 ppm2      2.485 CV     1
 OR { 1487}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 ASSI { 1493}
   (( segid "BBBB" and resid 38   and name HN  ))
   (  segid "BBBB" and resid 38   and name HD% )
      2.500     0.800     0.800 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.14624E-02 ppm1      9.226 ppm2      6.998 CV     1
 OR { 1493}
   (( segid "AAAA" and resid 38   and name HN  ))
   (  segid "AAAA" and resid 38   and name HD% )
 ASSI { 1496}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 16   and name HB  ))
      1.200     1.200     4.800 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.69646E-03 ppm1      8.926 ppm2      2.595 CV     1
 OR { 1496}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 16   and name HB  ))
 ASSI { 1497}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 60   and name HG2 ))
      3.100     1.200     1.200 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.20430E-03 ppm1      8.249 ppm2      2.184 CV     1
 ASSI { 1498}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 59   and name HN  ))
      2.500     0.800     0.800 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.15261E-02 ppm1      8.256 ppm2      7.900 CV     1
 OR { 1498}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 59   and name HN  ))
 ASSI { 1500}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
      2.100     2.100     3.900 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.21081E-02 ppm1      8.926 ppm2      1.173 CV     1
 ASSI { 1505}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
      2.300     0.700     0.700 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.21878E-02 ppm1      8.748 ppm2      0.817 CV     1
 ASSI { 1506}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 34   and name HN  ))
      2.600     2.600     3.400 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.60602E-03 ppm1      9.226 ppm2      9.787 CV     1
 ASSI { 1507}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 20   and name HN  ))
      2.600     0.800     0.800 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.61793E-03 ppm1      8.734 ppm2      6.998 CV     1
 ASSI { 1509}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 39   and name HB2 ))
      2.400     2.400     3.600 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.19464E-02 ppm1      9.233 ppm2      2.020 CV     1
 OR { 1509}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 39   and name HB2 ))
 OR { 1509}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 35   and name HB  ))
 ASSI { 1510}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 21   and name HN  ))
      2.000     0.500     0.500 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.26942E-02 ppm1      8.741 ppm2      7.298 CV     1
 ASSI { 1511}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 14   and name HB2 ))
      2.100     2.100     3.900 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.18884E-02 ppm1      8.926 ppm2      2.020 CV     1
 ASSI { 1512}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 59   and name HB2 ))
      2.400     0.700     0.700 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.93462E-03 ppm1      8.256 ppm2      1.856 CV     1
 ASSI { 1522}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 13   and name HA  ))
      2.900     1.000     1.000 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.58036E-03 ppm1      8.912 ppm2      3.415 CV     1
 OR { 1522}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 13   and name HA  ))
 ASSI { 1525}
   (( segid "BBBB" and resid 64   and name HN  ))
   (( segid "BBBB" and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.33154E-03 ppm1      7.579 ppm2      2.868 CV     1
 ASSI { 1531}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 9    and name HB2 ))
      2.000     0.500     0.500 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.25038E-02 ppm1      8.659 ppm2      1.637 CV     1
 ASSI { 1532}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 57   and name HA  ))
      2.400     0.700     0.700 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.95047E-03 ppm1      7.784 ppm2      4.263 CV     1
 ASSI { 1533}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 35   and name HN  ))
      2.900     2.900     3.100 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.61442E-03 ppm1      9.226 ppm2      8.720 CV     1
 OR { 1533}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 35   and name HN  ))
 ASSI { 1538}
   (( segid "BBBB" and resid 9    and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
      2.400     2.400     3.600 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.17183E-02 ppm1      8.666 ppm2      1.419 CV     1
 OR { 1538}
   (( segid "AAAA" and resid 9    and name HN  ))
   (  segid "AAAA" and resid 7    and name HG2%)
 ASSI { 1540}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 8    and name HB2 ))
      2.100     2.100     3.900 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.18478E-02 ppm1      8.659 ppm2      2.048 CV     1
 ASSI { 1543}
   (( segid "AAAA" and resid 95   and name HN  ))
   (  segid "AAAA" and resid 95   and name HG2%)
      2.300     2.300     3.700 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.21548E-02 ppm1      7.579 ppm2      0.817 CV     1
 OR { 1543}
   (( segid "BBBB" and resid 95   and name HN  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI { 1548}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 7    and name HB  ))
      2.300     2.300     3.700 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.12011E-02 ppm1      8.666 ppm2      4.892 CV     1
 ASSI { 1550}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 8    and name HN  ))
      2.300     0.700     0.700 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.10199E-02 ppm1      8.666 ppm2      9.623 CV     1
 ASSI { 1554}
   (( segid "AAAA" and resid 95   and name HN  ))
   (  segid "BBBB" and resid 76   and name HD% )
      2.900     2.900     3.100 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.60421E-03 ppm1      7.579 ppm2      6.916 CV     1
 OR { 1554}
   (( segid "BBBB" and resid 95   and name HN  ))
   (  segid "AAAA" and resid 76   and name HD% )
 ASSI { 1557}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 7    and name HA  ))
      2.400     2.400     3.600 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.84855E-03 ppm1      8.666 ppm2      4.454 CV     1
 ASSI { 1558}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 8    and name HG2 ))
      4.200     2.200     1.800 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.65494E-04 ppm1      8.666 ppm2      2.266 CV     1
 OR { 1558}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 8    and name HG2 ))
 ASSI { 1563}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 17   and name HN  ))
      2.500     2.500     3.500 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.12700E-02 ppm1      8.727 ppm2      8.228 CV     1
 OR { 1563}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 17   and name HN  ))
 ASSI { 1571}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 77   and name HZ3 ))
      2.800     2.800     3.200 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.38079E-03 ppm1      7.586 ppm2      6.560 CV     1
 OR { 1571}
   (( segid "AAAA" and resid 95   and name HN  ))
   (  segid "BBBB" and resid 73   and name HD% )
 OR { 1571}
   (( segid "BBBB" and resid 95   and name HN  ))
   (  segid "AAAA" and resid 73   and name HD% )
 ASSI { 1580}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 57   and name HN  ))
      2.200     0.600     0.600 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.13544E-02 ppm1      7.784 ppm2      8.201 CV     1
 OR { 1580}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 60   and name HN  ))
 ASSI { 1581}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 10   and name HN  ))
      2.300     0.700     0.700 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.20851E-02 ppm1      8.673 ppm2      7.873 CV     1
 OR { 1581}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 10   and name HN  ))
 ASSI { 1583}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 93   and name HB2 ))
      0.900     0.900     5.100 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.24807E-02 ppm1      7.586 ppm2      2.048 CV     1
 OR { 1583}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 93   and name HB2 ))
 ASSI { 1585}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 9    and name HA  ))
      2.200     0.600     0.600 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.20689E-02 ppm1      8.673 ppm2      4.153 CV     1
 OR { 1585}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 8    and name HA  ))
 ASSI { 1596}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 9    and name HN  ))
      2.200     0.600     0.600 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.15296E-02 ppm1      9.664 ppm2      8.638 CV     1
 ASSI { 1599}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 8    and name HG2 ))
      2.200     0.600     0.600 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.28872E-02 ppm1      9.664 ppm2      2.239 CV     1
 OR { 1599}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 8    and name HG2 ))
 ASSI { 1602}
   (( segid "AAAA" and resid 8    and name HN  ))
   (  segid "AAAA" and resid 7    and name HG2%)
      2.100     2.100     3.900 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.20603E-02 ppm1      9.671 ppm2      1.419 CV     1
 ASSI { 1603}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 7    and name HA  ))
      2.600     0.900     0.900 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.53882E-03 ppm1      9.664 ppm2      4.454 CV     1
 ASSI { 1605}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 10   and name HG2 ))
      2.100     2.100     3.900 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.22047E-02 ppm1      9.664 ppm2      2.431 CV     1
 OR { 1605}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 44   and name HG2 ))
 OR { 1605}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 44   and name HG2 ))
 ASSI { 1608}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 8    and name HB2 ))
      2.000     2.000     4.000 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.23103E-02 ppm1      9.664 ppm2      2.048 CV     1
 ASSI { 1610}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 8    and name HA  ))
      2.200     0.600     0.600 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.26770E-02 ppm1      9.671 ppm2      4.099 CV     1
 OR { 1610}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 ASSI { 1613}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 7    and name HB  ))
      2.000     0.500     0.500 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.30217E-02 ppm1      9.664 ppm2      4.892 CV     1
 ASSI { 1628}
   (( segid "AAAA" and resid 58   and name HN  ))
   (( segid "AAAA" and resid 55   and name HB2 ))
      2.700     2.700     3.300 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.94196E-03 ppm1      7.784 ppm2      3.771 CV     1
 OR { 1628}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 55   and name HB2 ))
 ASSI { 1631}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 10   and name HN  ))
      2.600     2.600     3.400 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.98014E-03 ppm1      7.319 ppm2      7.900 CV     1
 OR { 1631}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 10   and name HN  ))
 ASSI { 1637}
   (( segid "BBBB" and resid 17   and name HN  ))
   (( segid "BBBB" and resid 16   and name HA  ))
      2.400     0.700     0.700 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.15710E-02 ppm1      8.235 ppm2      3.825 CV     1
 OR { 1637}
   (( segid "AAAA" and resid 17   and name HN  ))
   (( segid "AAAA" and resid 16   and name HA  ))
 ASSI { 1643}
   (( segid "BBBB" and resid 17   and name HN  ))
   (( segid "BBBB" and resid 15   and name HN  ))
      2.700     2.700     3.300 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.40808E-03 ppm1      8.221 ppm2      8.912 CV     1
 ASSI { 1655}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 5    and name HA  ))
      2.000     2.000     4.000 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.24312E-02 ppm1      7.326 ppm2      4.044 CV     1
 OR { 1655}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 88   and name HA  ))
 OR { 1655}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 89   and name HA  ))
 ASSI { 1658}
   (( segid "BBBB" and resid 17   and name HN  ))
   (( segid "BBBB" and resid 16   and name HN  ))
      2.500     0.800     0.800 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.15246E-02 ppm1      8.228 ppm2      8.584 CV     1
 OR { 1658}
   (( segid "AAAA" and resid 17   and name HN  ))
   (( segid "AAAA" and resid 16   and name HN  ))
 ASSI { 1668}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
      2.700     2.700     3.300 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.58416E-03 ppm1      7.319 ppm2      1.446 CV     1
 OR { 1668}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 OR { 1668}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 ASSI { 1669}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
      2.200     0.600     0.600 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.33927E-02 ppm1      7.326 ppm2      2.321 CV     1
 OR { 1669}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 ASSI { 1671}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 60   and name HA  ))
      2.700     2.700     3.300 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.85028E-03 ppm1      7.551 ppm2      3.306 CV     1
 OR { 1671}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 60   and name HA  ))
 ASSI { 1672}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 86   and name HB2 ))
      2.400     0.700     0.700 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.87054E-03 ppm1      7.326 ppm2      2.102 CV     1
 ASSI { 1673}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 85   and name HA  ))
      2.300     0.600     0.600 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.13418E-02 ppm1      7.326 ppm2      3.524 CV     1
 OR { 1673}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 ASSI { 1674}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 10   and name HN  ))
      2.700     2.700     3.300 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.89330E-03 ppm1      9.664 ppm2      7.873 CV     1
 OR { 1674}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 10   and name HN  ))
 ASSI { 1689}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 85   and name HB2 ))
      2.100     2.100     3.900 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.18996E-02 ppm1      7.326 ppm2      1.774 CV     1
 ASSI { 1697}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 78   and name HB2 ))
      0.900     0.900     5.100 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.15411E-02 ppm1      6.916 ppm2      1.966 CV     1
 OR { 1697}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 78   and name HB2 ))
 ASSI { 1703}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 63   and name HA  ))
      2.200     0.600     0.600 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.29496E-02 ppm1      7.538 ppm2      4.181 CV     1
 OR { 1703}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 63   and name HA  ))
 OR { 1703}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 62   and name HA  ))
 ASSI { 1711}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 79   and name HB2 ))
      2.200     0.600     0.600 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.13721E-02 ppm1      6.916 ppm2      2.266 CV     1
 ASSI { 1725}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 78   and name HN  ))
      2.400     0.700     0.700 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.97685E-03 ppm1      6.916 ppm2      7.216 CV     1
 ASSI { 1726}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 78   and name HG2 ))
      5.500     3.700     1.100 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.16999E-02 ppm1      6.916 ppm2      1.528 CV     1
 ASSI { 1734}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
      2.700     2.700     3.300 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.82261E-03 ppm1      8.522 ppm2      1.118 CV     1
 OR { 1734}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
 ASSI { 1738}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 40   and name HN  ))
      1.300     1.300     4.700 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.23753E-02 ppm1      8.515 ppm2      7.900 CV     1
 OR { 1738}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 40   and name HN  ))
 OR { 1738}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 40   and name HN  ))
 ASSI { 1739}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 41   and name HN  ))
      2.400     0.700     0.700 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.20277E-02 ppm1      8.515 ppm2      8.146 CV     1
 OR { 1739}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 41   and name HN  ))
 ASSI { 1744}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 14   and name HG2 ))
      1.500     1.500     4.500 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.16174E-02 ppm1      9.274 ppm2      2.431 CV     1
 OR { 1744}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 75   and name HG2 ))
 ASSI { 1752}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 42   and name HA  ))
      2.000     0.500     0.500 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.24406E-02 ppm1      8.515 ppm2      3.470 CV     1
 ASSI { 1755}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 79   and name HG  ))
      1.800     1.800     4.200 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.27430E-02 ppm1      9.274 ppm2      1.473 CV     1
 OR { 1755}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR { 1755}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 ASSI { 1762}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 77   and name HB2 ))
      2.300     2.300     3.700 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.22698E-02 ppm1      9.322 ppm2      3.032 CV     1
 OR { 1762}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 77   and name HB2 ))
 ASSI { 1769}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 9    and name HN  ))
      2.600     2.600     3.400 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.10364E-02 ppm1      9.274 ppm2      8.638 CV     1
 OR { 1769}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 9    and name HN  ))
 ASSI { 1770}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 77   and name HA  ))
      2.400     0.700     0.700 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.19547E-02 ppm1      9.315 ppm2      3.716 CV     1
 OR { 1770}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 77   and name HA  ))
 ASSI { 1777}
   (( segid "AAAA" and resid 36   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      1.900     1.900     4.100 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.34186E-02 ppm1      7.121 ppm2      4.427 CV     1
 ASSI { 1783}
   (( segid "BBBB" and resid 41   and name HN  ))
   (( segid "BBBB" and resid 41   and name HB2 ))
      0.500     0.000     1.700 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.23297E-02 ppm1      8.509 ppm2      1.583 CV     1
 OR { 1783}
   (( segid "AAAA" and resid 41   and name HN  ))
   (( segid "AAAA" and resid 41   and name HB2 ))
 ASSI { 1785}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 8    and name HA  ))
      2.900     1.100     1.100 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.39994E-03 ppm1      9.288 ppm2      4.099 CV     1
 OR { 1785}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 11   and name HA  ))
 OR { 1785}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 11   and name HA  ))
 ASSI { 1787}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 10   and name HN  ))
      3.300     1.400     1.400 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.17785E-03 ppm1      9.274 ppm2      7.900 CV     1
 OR { 1787}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 12   and name HN  ))
 OR { 1787}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 12   and name HN  ))
 ASSI { 1788}
   (( segid "BBBB" and resid 36   and name HN  ))
   (( segid "BBBB" and resid 35   and name HN  ))
      2.200     0.600     0.600 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.16281E-02 ppm1      7.121 ppm2      8.748 CV     1
 ASSI { 1790}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 75   and name HN  ))
      2.300     2.300     3.700 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.15891E-02 ppm1      9.329 ppm2      7.052 CV     1
 ASSI { 1791}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 40   and name HG2 ))
      2.800     1.000     1.000 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.38043E-03 ppm1      7.900 ppm2      2.485 CV     1
 ASSI { 1794}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 36   and name HB2 ))
      0.500     0.500     5.500 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.28926E-02 ppm1      8.556 ppm2      2.321 CV     1
 OR { 1794}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 36  and name HB2 ))
 ASSI { 1795}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 77   and name HZ3 ))
      2.800     2.800     3.200 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.36331E-03 ppm1      9.322 ppm2      6.533 CV     1
 ASSI { 1796}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 37   and name HA  ))
      2.200     0.600     0.600 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.17000E-02 ppm1      8.563 ppm2      4.071 CV     1
 ASSI { 1797}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 39   and name HN  ))
      2.100     0.600     0.600 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.18542E-02 ppm1      7.907 ppm2      8.420 CV     1
 ASSI { 1800}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 37   and name HB2 ))
      2.300     2.300     3.700 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.22057E-02 ppm1      8.563 ppm2      2.048 CV     1
 OR { 1800}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 37   and name HB2 ))
 ASSI { 1802}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 38   and name HN  ))
      2.300     0.700     0.700 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.11158E-02 ppm1      8.563 ppm2      9.185 CV     1
 ASSI { 1804}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 39   and name HA  ))
      2.200     0.600     0.600 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.95491E-03 ppm1      7.914 ppm2      3.989 CV     1
 ASSI { 1805}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 78   and name HN  ))
      2.100     0.500     0.500 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.21017E-02 ppm1      9.329 ppm2      7.216 CV     1
 ASSI { 1809}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 27   and name HN  ))
      1.100     1.100     4.900 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.69620E-03 ppm1      8.577 ppm2      9.787 CV     1
 ASSI { 1812}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 41   and name HN  ))
      3.700     1.700     1.700 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.73347E-04 ppm1      7.921 ppm2      8.201 CV     1
 OR { 1812}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 60   and name HN  ))
 ASSI { 1814}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 45   and name HG2 ))
      1.400     1.400     4.600 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.78505E-03 ppm1      7.907 ppm2      2.294 CV     1
 OR { 1814}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 45   and name HG2 ))
 OR { 1814}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 45   and name HG2 ))
 OR { 1814}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 ASSI { 1829}
   (( segid "BBBB" and resid 36   and name HN  ))
   (( segid "BBBB" and resid 36   and name HB2 ))
      1.200     1.200     4.800 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.14371E-02 ppm1      7.114 ppm2      2.458 CV     1
 ASSI { 1830}
   (( segid "AAAA" and resid 37   and name HN  ))
   (  segid "AAAA" and resid 20   and name HE% )
      2.100     2.100     3.900 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.22994E-02 ppm1      8.563 ppm2      7.080 CV     1
 ASSI { 1834}
   (( segid "AAAA" and resid 21   and name HN  ))
   (  segid "AAAA" and resid 21   and name HE% )
      0.900     0.900     5.100 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.23759E-02 ppm1      7.893 ppm2      7.080 CV     1
 OR { 1834}
   (( segid "BBBB" and resid 21   and name HN  ))
   (  segid "BBBB" and resid 21   and name HE% )
 ASSI { 1840}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      2.300     2.300     3.700 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.11375E-02 ppm1      8.563 ppm2      4.427 CV     1
 ASSI { 1845}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 35   and name HN  ))
      2.700     2.700     3.300 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.46218E-03 ppm1      8.577 ppm2      8.748 CV     1
 ASSI { 1856}
   (( segid "BBBB" and resid 76   and name HN  ))
   (( segid "BBBB" and resid 77   and name HN  ))
      2.600     0.900     0.900 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.10532E-02 ppm1      7.873 ppm2      9.295 CV     1
 OR { 1856}
   (( segid "AAAA" and resid 76   and name HN  ))
   (( segid "AAAA" and resid 77   and name HN  ))
 ASSI { 1879}
   (( segid "AAAA" and resid 92   and name HN  ))
   (( segid "AAAA" and resid 93   and name HN  ))
      3.800     1.800     1.800 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.60261E-04 ppm1      8.071 ppm2      7.517 CV     1
 ASSI { 1889}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 83   and name HA  ))
      2.300     2.300     3.700 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.13332E-02 ppm1      8.666 ppm2      3.962 CV     1
 ASSI { 1891}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA2 ))
      2.600     0.900     0.900 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.87861E-03 ppm1      8.666 ppm2      3.798 CV     1
 OR { 1891}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
 OR { 1891}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 82   and name HA  ))
 ASSI { 1894}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 85   and name HN  ))
      2.100     0.500     0.500 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.22255E-02 ppm1      8.659 ppm2      7.326 CV     1
 ASSI { 1898}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
      2.600     2.600     3.400 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.59223E-03 ppm1      8.652 ppm2      3.224 CV     1
 ASSI { 1899}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 83   and name HN  ))
      2.000     0.500     0.500 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.24156E-02 ppm1      8.659 ppm2      8.037 CV     1
 ASSI { 1904}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 87   and name HB  ))
      1.800     1.800     4.200 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.23079E-02 ppm1      8.659 ppm2      1.884 CV     1
 OR { 1904}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 87   and name HB  ))
 ASSI { 1908}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 82   and name HN  ))
      2.500     0.800     0.800 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.76797E-03 ppm1      8.659 ppm2      7.654 CV     1
 ASSI { 1944}
   (( segid "AAAA" and resid 46   and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
      1.000     1.000     5.000 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.10662E-02 ppm1      7.319 ppm2      1.419 CV     1
 OR { 1944}
   (( segid "BBBB" and resid 46   and name HN  ))
   (  segid "AAAA" and resid 7    and name HG2%)
 ASSI { 1945}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 45   and name HA  ))
      0.500     0.500     5.500 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.12191E-02 ppm1      7.319 ppm2      3.442 CV     1
 OR { 1945}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 45   and name HA  ))
 ASSI { 1962}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 45   and name HN  ))
      0.300     0.000     1.900 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.20134E-02 ppm1      7.319 ppm2      8.283 CV     1
 OR { 1962}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 45   and name HN  ))
 ASSI { 1968}
   (( segid "AAAA" and resid 41   and name HN  ))
   (( segid "AAAA" and resid 40   and name HN  ))
      1.900     0.500     0.500 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.32527E-02 ppm1      8.180 ppm2      7.900 CV     1
 ASSI { 1973}
   (( segid "AAAA" and resid 41   and name HN  ))
   (( segid "AAAA" and resid 40   and name HG2 ))
      2.300     2.300     3.700 peak  1973 spectrum    1 weight  0.10000E+01 volume  0.13635E-02 ppm1      8.174 ppm2      2.485 CV     1
 ASSI { 1978}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 44   and name HG2 ))
      2.500     2.500     3.500 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.67339E-03 ppm1      7.333 ppm2      2.431 CV     1
 ASSI { 1983}
   (( segid "BBBB" and resid 41   and name HN  ))
   (( segid "BBBB" and resid 42   and name HN  ))
      2.200     0.600     0.600 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.17394E-02 ppm1      8.174 ppm2      8.474 CV     1
 ASSI { 1984}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 87   and name HB  ))
      2.000     2.000     4.000 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.30368E-02 ppm1      7.955 ppm2      1.884 CV     1
 ASSI { 1989}
   (( segid "BBBB" and resid 12   and name HN  ))
   (( segid "BBBB" and resid 11   and name HN  ))
      2.100     0.500     0.500 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.20583E-02 ppm1      7.948 ppm2      9.240 CV     1
 ASSI { 1994}
   (( segid "BBBB" and resid 41   and name HN  ))
   (( segid "BBBB" and resid 41   and name HB2 ))
      2.000     0.500     0.500 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.28956E-02 ppm1      8.180 ppm2      1.583 CV     1
 ASSI { 2027}
   (( segid "AAAA" and resid 6    and name HN  ))
   (( segid "AAAA" and resid 7    and name HN  ))
      2.600     2.600     3.400 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.59937E-03 ppm1      8.037 ppm2      8.666 CV     1
 ASSI { 2034}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 82   and name HB2 ))
      2.300     0.600     0.600 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.12852E-02 ppm1      7.695 ppm2      2.102 CV     1
 ASSI { 2035}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
      2.100     0.500     0.500 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.22603E-02 ppm1      7.695 ppm2      2.321 CV     1
 ASSI { 2037}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 84   and name HN  ))
      2.600     0.900     0.900 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.50801E-03 ppm1      7.688 ppm2      8.638 CV     1
 ASSI { 2039}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 83   and name HN  ))
      2.400     0.700     0.700 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.97621E-03 ppm1      7.695 ppm2      8.064 CV     1
 ASSI { 2041}
   (( segid "BBBB" and resid 65   and name HN  ))
   (( segid "BBBB" and resid 64   and name HB2 ))
      2.400     2.400     3.600 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.87800E-03 ppm1      8.057 ppm2      2.841 CV     1
 ASSI { 2046}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
      2.600     0.900     0.900 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.51257E-03 ppm1      7.695 ppm2      3.224 CV     1
 ASSI { 2051}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 79   and name HA  ))
      2.200     0.600     0.600 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.16008E-02 ppm1      7.695 ppm2      3.962 CV     1
 ASSI { 2053}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 82   and name HA  ))
      2.900     1.100     1.100 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.32784E-03 ppm1      7.695 ppm2      3.798 CV     1
 OR { 2053}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA1 ))
 OR { 2053}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA2 ))
 ASSI { 2055}
   (( segid "AAAA" and resid 71   and name HN  ))
   (( segid "AAAA" and resid 70   and name HA  ))
      1.700     1.700     4.300 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.39446E-03 ppm1     10.389 ppm2      4.181 CV     1
 OR { 2055}
   (( segid "BBBB" and resid 71   and name HN  ))
   (( segid "BBBB" and resid 70   and name HA  ))
 ASSI { 2065}
   (( segid "BBBB" and resid 65   and name HN  ))
   (( segid "BBBB" and resid 65   and name HB  ))
      3.200     1.300     1.300 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.15612E-03 ppm1      8.057 ppm2      2.239 CV     1
 ASSI { 2081}
   (( segid "BBBB" and resid 71   and name HN  ))
   (( segid "BBBB" and resid 71   and name HG  ))
      2.100     2.100     3.900 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.22492E-02 ppm1     10.334 ppm2      1.501 CV     1
 ASSI { 2098}
   (( segid "AAAA" and resid 71   and name HN  ))
   (( segid "AAAA" and resid 33   and name HN  ))
      2.500     2.500     3.500 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.78687E-03 ppm1     10.334 ppm2      9.158 CV     1
 ASSI { 2102}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 76   and name HB2 ))
      2.400     2.400     3.600 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.88639E-03 ppm1      7.114 ppm2      2.841 CV     1
 ASSI { 2107}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 75   and name HA  ))
      2.500     0.800     0.800 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.13583E-02 ppm1      7.107 ppm2      4.400 CV     1
 OR { 2107}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 75   and name HA  ))
 ASSI { 2113}
   (( segid "AAAA" and resid 97   and name HN  ))
   (( segid "AAAA" and resid 97   and name HB2 ))
      2.600     0.900     0.900 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.49129E-03 ppm1      8.249 ppm2      1.719 CV     1
 ASSI { 2116}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 76   and name HN  ))
      2.500     0.800     0.800 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.12992E-02 ppm1      7.107 ppm2      7.845 CV     1
 OR { 2116}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 76   and name HN  ))
 ASSI { 2124}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 70   and name HG2  ))
      2.600     2.600     3.400 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.63362E-03 ppm1      9.801 ppm2      0.981 CV     1
 ASSI { 2128}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 72   and name HG2 ))
      2.800     2.800     3.200 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.71090E-03 ppm1      7.100 ppm2      1.747 CV     1
 OR { 2128}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 72   and name HG2 ))
 OR { 2128}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 70   and name HB2 ))
 ASSI { 2130}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
      2.500     0.800     0.800 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.13634E-02 ppm1      7.107 ppm2      2.266 CV     1
 OR { 2130}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 ASSI { 2133}
   (( segid "AAAA" and resid 71   and name HN  ))
   (( segid "AAAA" and resid 72   and name HN  ))
      1.500     1.500     4.500 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.44945E-03 ppm1     10.348 ppm2      8.939 CV     1
 OR { 2133}
   (( segid "BBBB" and resid 71   and name HN  ))
   (( segid "BBBB" and resid 72   and name HN  ))
 ASSI { 2137}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 67   and name HG2 ))
      2.100     2.100     3.900 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.19221E-02 ppm1      9.808 ppm2      2.294 CV     1
 OR { 2137}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 67   and name HG2 ))
 ASSI { 2139}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 33   and name HA  ))
      0.800     0.800     5.200 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.82540E-03 ppm1      9.808 ppm2      3.689 CV     1
 OR { 2139}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 33   and name HA  ))
 ASSI { 2142}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 23   and name HA  ))
      0.700     0.700     5.300 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.52355E-03 ppm1      9.808 ppm2      3.442 CV     1
 OR { 2142}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 23   and name HA  ))
 ASSI { 2144}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 35   and name HN  ))
      2.700     0.900     0.900 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.41946E-03 ppm1      9.801 ppm2      8.748 CV     1
 ASSI { 2147}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 35   and name HN  ))
      1.200     1.200     4.800 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.80107E-03 ppm1      9.794 ppm2      8.529 CV     1
 OR { 2147}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 35   and name HN  ))
 ASSI { 2155}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 33   and name HB2 ))
      1.400     1.400     4.600 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.98403E-03 ppm1      9.808 ppm2      1.528 CV     1
 OR { 2155}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 33   and name HB2 ))
 ASSI { 2157}
   (( segid "BBBB" and resid 34   and name HN  ))
   (( segid "BBBB" and resid 26   and name HB2 ))
      1.400     1.400     4.600 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.19016E-02 ppm1      9.801 ppm2      2.020 CV     1
 OR { 2157}
   (( segid "AAAA" and resid 34   and name HN  ))
   (( segid "AAAA" and resid 26   and name HB2 ))
 ASSI { 2159}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 77   and name HN  ))
      2.700     2.700     3.300 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.39708E-03 ppm1      7.093 ppm2      9.295 CV     1
 ASSI { 2179}
   (( segid "BBBB" and resid 73   and name HN  ))
   (  segid "BBBB" and resid 73   and name HD% )
      2.500     0.800     0.800 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.77242E-03 ppm1      9.527 ppm2      6.533 CV     1
 ASSI { 2184}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 34   and name HA  ))
      0.900     0.900     5.100 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.12224E-02 ppm1      9.534 ppm2      4.892 CV     1
 OR { 2184}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 34   and name HA  ))
 ASSI { 2185}
   (( segid "AAAA" and resid 73   and name HN  ))
   (( segid "AAAA" and resid 72   and name HD2 ))
      3.000     1.100     1.100 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.51286E-03 ppm1      9.520 ppm2      3.306 CV     1
 OR { 2185}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 72   and name HD2 ))
 ASSI { 2187}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 93   and name HA  ))
      2.000     2.000     4.000 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.26349E-02 ppm1      8.126 ppm2      4.071 CV     1
 ASSI { 2189}
   (( segid "AAAA" and resid 73   and name HN  ))
   (( segid "AAAA" and resid 72   and name HB2 ))
      2.700     0.900     0.900 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.88482E-03 ppm1      9.534 ppm2      2.294 CV     1
 OR { 2189}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 72   and name HB2 ))
 ASSI { 2193}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 97   and name HE2 ))
      1.400     1.400     4.600 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.55554E-03 ppm1      8.132 ppm2      3.142 CV     1
 OR { 2193}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 97   and name HE2 ))
 ASSI { 2199}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 72   and name HG2 ))
      6.500     5.500     1.000 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.13135E-02 ppm1      8.126 ppm2      1.747 CV     1
 OR { 2199}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 72   and name HG2 ))
 ASSI { 2200}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 73   and name HB2 ))
      2.300     2.300     3.700 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.12593E-02 ppm1      9.534 ppm2      3.005 CV     1
 ASSI { 2205}
   (( segid "AAAA" and resid 73   and name HN  ))
   (( segid "AAAA" and resid 74   and name HN  ))
      1.700     0.400     0.500 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.64232E-03 ppm1      9.527 ppm2      8.912 CV     1
 OR { 2205}
   (( segid "BBBB" and resid 73   and name HN  ))
   (( segid "BBBB" and resid 74   and name HN  ))
 ASSI { 2207}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 13   and name HA  ))
      2.800     1.000     1.000 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.69313E-03 ppm1      8.618 ppm2      3.415 CV     1
 OR { 2207}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 13   and name HA  ))
 ASSI { 2213}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 14   and name HB2 ))
      2.500     2.500     3.500 peak  2213 spectrum    1 weight  0.10000E+01 volume  0.78574E-03 ppm1      8.632 ppm2      2.075 CV     1
 OR { 2213}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 14    and name HB2 ))
 ASSI { 2215}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 15   and name HA  ))
      2.200     2.200     3.800 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.13962E-02 ppm1      8.625 ppm2      4.126 CV     1
 ASSI { 2218}
   (( segid "AAAA" and resid 8    and name HN  ))
   (( segid "AAAA" and resid 8    and name HG2 ))
      2.800     2.800     3.200 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.70719E-03 ppm1      8.618 ppm2      2.212 CV     1
 OR { 2218}
   (( segid "BBBB" and resid 8    and name HN  ))
   (( segid "BBBB" and resid 8    and name HG2 ))
 ASSI { 2219}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 16   and name HA  ))
      2.200     0.600     0.600 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.16394E-02 ppm1      8.625 ppm2      3.798 CV     1
 ASSI { 2228}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
      2.200     2.200     3.800 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.13868E-02 ppm1      8.625 ppm2      1.200 CV     1
 ASSI { 2231}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 16   and name HB  ))
      2.000     0.500     0.500 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.26487E-02 ppm1      8.625 ppm2      2.649 CV     1
 ASSI { 2244}
   (( segid "AAAA" and resid 2    and name HN  ))
   (( segid "AAAA" and resid 1    and name HG2 ))
      2.700     2.700     3.300 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.79336E-03 ppm1      8.187 ppm2      2.513 CV     1
 OR { 2244}
   (( segid "BBBB" and resid 2    and name HN  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 ASSI { 2250}
   (( segid "BBBB" and resid 2    and name HN  ))
   (( segid "AAAA" and resid 58   and name HB2 ))
      1.000     1.000     5.000 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.33488E-02 ppm1      8.180 ppm2      1.993 CV     1
 ASSI { 2293}
   (( segid "AAAA" and resid 25   and name HN  ))
   (( segid "AAAA" and resid 24   and name HN  ))
      2.700     2.700     3.300 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.43961E-03 ppm1      9.172 ppm2      8.474 CV     1
 ASSI { 2303}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 71   and name HG  ))
      2.100     2.100     3.900 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.17545E-02 ppm1      9.179 ppm2      1.501 CV     1
 OR { 2303}
   (( segid "AAAA" and resid 33   and name HN  ))
   (( segid "AAAA" and resid 71   and name HG  ))
 ASSI { 2307}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 32   and name HA  ))
      2.200     0.600     0.600 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.16692E-02 ppm1      9.179 ppm2      5.138 CV     1
 ASSI { 2314}
   (( segid "BBBB" and resid 33   and name HN  ))
   (( segid "BBBB" and resid 34   and name HA  ))
      2.600     2.600     3.400 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.61866E-03 ppm1      9.172 ppm2      4.892 CV     1
 ASSI { 2443}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 93   and name HA  ))
      1.200     1.200     4.800 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.22980E-02 ppm1      7.880 ppm2      4.071 CV     1
 OR { 2443}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 93   and name HA  ))
 ASSI { 2451}
   (( segid "BBBB" and resid 98   and name HN  ))
   (( segid "BBBB" and resid 96   and name HA  ))
      5.000     3.100     1.200 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.17688E-02 ppm1      7.880 ppm2      4.235 CV     1
 OR { 2451}
   (( segid "AAAA" and resid 98   and name HN  ))
   (( segid "AAAA" and resid 96   and name HA  ))
 ASSI { 2532}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 78   and name HG2 ))
      2.600     0.900     0.900 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.51638E-03 ppm1     10.245 ppm2      1.555 CV     1
 ASSI { 2544}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 77   and name HN  ))
      3.200     3.200     2.800 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.34384E-03 ppm1     10.245 ppm2      9.322 CV     1
 OR { 2544}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 77   and name HN  ))
 ASSI { 2547}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 67   and name HE21))
      2.400     2.400     3.600 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.89636E-03 ppm1     10.238 ppm2      7.927 CV     1
 ASSI { 2550}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 77   and name HE3 ))
      3.100     3.100     2.900 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.41148E-03 ppm1     10.245 ppm2      7.654 CV     1
 OR { 2550}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 77   and name HE3 ))
 ASSI { 2552}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 77   and name HD1 ))
      3.100     1.200     1.200 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.41399E-03 ppm1     10.238 ppm2      7.216 CV     1
 OR { 2552}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 77   and name HD1 ))
 ASSI { 2563}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 77   and name HA  ))
      2.200     2.200     3.800 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.25094E-02 ppm1     10.238 ppm2      3.771 CV     1
 OR { 2563}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 77   and name HA  ))
 ASSI { 2573}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 78   and name HA  ))
      2.500     2.500     3.500 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.71561E-03 ppm1     10.238 ppm2      3.962 CV     1
 ASSI { 2575}
   (( segid "AAAA" and resid 77   and name HE1 ))
   (( segid "AAAA" and resid 80   and name HB  ))
      2.800     2.800     3.200 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.69205E-03 ppm1     10.245 ppm2      1.419 CV     1
 OR { 2575}
   (( segid "BBBB" and resid 77   and name HE1 ))
   (( segid "BBBB" and resid 80   and name HB  ))

!2D NOESY NEW TEMPLATE TABLE

ASSI {    1}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
      1.400     1.400     4.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.14609E-01 ppm1      1.088 ppm2      1.216 CV     1
 ASSI {    5}
   (( segid "BBBB" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 86   and name HG2 ))
      1.400     1.400     4.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.22108E-01 ppm1      2.143 ppm2      2.334 CV     1
 ASSI {    7}
   (( segid "BBBB" and resid 51   and name HG2 ))
   (( segid "BBBB" and resid 44   and name HA  ))
      1.500     0.300     0.700 peak     7 spectrum    1 weight  0.10000E+01 volume  0.81632E-02 ppm1      1.358 ppm2      4.247 CV     1
 OR {    7}
   (  segid "BBBB" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 3    and name HA  ))
 OR {    7}
   (  segid "BBBB" and resid 7    and name HG2%)
   (( segid "AAAA" and resid 44   and name HA  ))
 ASSI {    8}
   (( segid "AAAA" and resid 39   and name HB2 ))
   (( segid "AAAA" and resid 39   and name HA  ))
      1.400     1.400     4.600 peak     8 spectrum    1 weight  0.10000E+01 volume  0.16227E-01 ppm1      2.014 ppm2      4.001 CV     1
 ASSI {   10}
   (( segid "AAAA" and resid 22   and name HG1 ))
   (( segid "AAAA" and resid 25   and name HA1 ))
      1.600     1.600     4.400 peak    10 spectrum    1 weight  0.10000E+01 volume  0.12782E-01 ppm1      0.807 ppm2      4.171 CV     1
 ASSI {   11}
   (( segid "AAAA" and resid 6    and name HG  ))
   (( segid "AAAA" and resid 8    and name HA  ))
      1.500     1.500     4.500 peak    11 spectrum    1 weight  0.10000E+01 volume  0.12474E-01 ppm1      1.487 ppm2      4.130 CV     1
 OR {   11}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 8    and name HA  ))
 OR {   11}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 OR {   11}
   (( segid "BBBB" and resid 88   and name HB2 ))
   (( segid "BBBB" and resid 86   and name HA  ))
 OR {   11}
   (( segid "AAAA" and resid 88   and name HB2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {   11}
   (( segid "AAAA" and resid 85   and name HG2 ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {   11}
   (( segid "AAAA" and resid 6    and name HG  ))
   (( segid "AAAA" and resid 11   and name HA  ))
 OR {   11}
   (( segid "BBBB" and resid 6    and name HG  ))
   (( segid "BBBB" and resid 11   and name HA  ))
 ASSI {   12}
   (  segid "BBBB" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 95   and name HA  ))
      1.700     1.700     4.300 peak    12 spectrum    1 weight  0.10000E+01 volume  0.78586E-02 ppm1      0.865 ppm2      3.995 CV     1
 OR {   12}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 74   and name HB2 ))
 ASSI {   13}
   (( segid "BBBB" and resid 40   and name HG2 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
      2.000     2.000     4.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.53755E-02 ppm1      2.436 ppm2      2.544 CV     1
 OR {   13}
   (( segid "AAAA" and resid 40   and name HG2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 ASSI {   14}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      2.300     2.300     3.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.24519E-02 ppm1      1.088 ppm2      1.281 CV     1
 OR {   14}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 ASSI {   15}
   (( segid "BBBB" and resid 63   and name HG  ))
   (( segid "BBBB" and resid 63   and name HA  ))
      1.900     1.900     4.100 peak    15 spectrum    1 weight  0.10000E+01 volume  0.67778E-02 ppm1      1.170 ppm2      4.194 CV     1
 OR {   15}
   (( segid "AAAA" and resid 63   and name HG  ))
   (( segid "AAAA" and resid 63   and name HA  ))
 ASSI {   17}
   (( segid "BBBB" and resid 62   and name HG1 ))
   (( segid "BBBB" and resid 62   and name HB  ))
      1.600     0.300     0.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.78626E-02 ppm1      1.252 ppm2      3.984 CV     1
 OR {   17}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (( segid "AAAA" and resid 58   and name HA  ))
 ASSI {   18}
   (( segid "AAAA" and resid 22   and name HG1 ))
   (( segid "AAAA" and resid 22   and name HA  ))
      1.900     1.900     4.100 peak    18 spectrum    1 weight  0.10000E+01 volume  0.74830E-02 ppm1      0.830 ppm2      3.837 CV     1
 OR {   18}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (( segid "BBBB" and resid 22   and name HA  ))
 ASSI {   19}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 85   and name HA  ))
      2.200     2.200     3.800 peak    19 spectrum    1 weight  0.10000E+01 volume  0.27569E-02 ppm1      1.147 ppm2      3.562 CV     1
 OR {   19}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 85   and name HA  ))
 ASSI {   20}
   (( segid "AAAA" and resid 22   and name HG1 ))
   (  segid "BBBB" and resid 7    and name HG2%)
      6.500     5.000     1.500 peak    20 spectrum    1 weight  0.10000E+01 volume  0.60039E-02 ppm1      0.807 ppm2      1.403 CV     1
 OR {   20}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (  segid "AAAA" and resid 7    and name HG2%)
 ASSI {   21}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 5    and name HA  ))
      1.900     0.400     0.400 peak    21 spectrum    1 weight  0.10000E+01 volume  0.70611E-02 ppm1      1.194 ppm2      4.101 CV     1
 OR {   21}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 5    and name HA  ))
 OR {   21}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 86   and name HA  ))
 ASSI {   22}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 73   and name HB2 ))
      1.900     1.900     4.100 peak    22 spectrum    1 weight  0.10000E+01 volume  0.73728E-02 ppm1      1.697 ppm2      3.030 CV     1
 OR {   22}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 73   and name HB2 ))
 OR {   22}
   (( segid "BBBB" and resid 85   and name HB2 ))
   (( segid "BBBB" and resid 85   and name HE2 ))
 OR {   22}
   (( segid "AAAA" and resid 85   and name HB2 ))
   (( segid "AAAA" and resid 85   and name HE2 ))
 ASSI {   26}
   (( segid "AAAA" and resid 36   and name HB2 ))
   (( segid "AAAA" and resid 38   and name HB2 ))
      2.300     2.300     3.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.12337E-02 ppm1      2.905 ppm2      3.036 CV     1
 ASSI {   27}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 61   and name HA  ))
      1.500     0.300     0.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.12161E-01 ppm1      1.897 ppm2      4.025 CV     1
 ASSI {   29}
   (( segid "BBBB" and resid 82   and name HG2 ))
   (( segid "BBBB" and resid 79   and name HA  ))
      1.700     0.400     0.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.80466E-02 ppm1      2.319 ppm2      3.984 CV     1
 ASSI {   30}
   (( segid "BBBB" and resid 98   and name HG2 ))
   (( segid "BBBB" and resid 93   and name HG  ))
      1.600     1.600     4.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.31523E-02 ppm1      1.299 ppm2      1.433 CV     1
 OR {   30}
   (( segid "AAAA" and resid 98   and name HG2 ))
   (( segid "AAAA" and resid 93   and name HG  ))
 ASSI {   31}
   (  segid "AAAA" and resid 95   and name HG2% )
   (( segid "AAAA" and resid 93   and name HA  ))
      1.900     1.900     4.100 peak    31 spectrum    1 weight  0.10000E+01 volume  0.47809E-02 ppm1      0.842 ppm2      4.107 CV     1
 OR {   31}
   (  segid "BBBB" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 93   and name HA  ))
 ASSI {   32}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (( segid "AAAA" and resid 62   and name HA  ))
      1.600     1.600     4.400 peak    32 spectrum    1 weight  0.10000E+01 volume  0.75193E-02 ppm1      1.252 ppm2      4.218 CV     1
 ASSI {   38}
   (( segid "AAAA" and resid 37   and name HA  ))
   (( segid "AAAA" and resid 38   and name HA  ))
      2.600     0.800     0.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.59626E-03 ppm1      4.053 ppm2      4.194 CV     1
 OR {   38}
   (( segid "BBBB" and resid 37   and name HA  ))
   (( segid "BBBB" and resid 38   and name HA  ))
 OR {   38}
   (( segid "AAAA" and resid 61   and name HA  ))
   (( segid "AAAA" and resid 62   and name HA  ))
 OR {   38}
   (( segid "BBBB" and resid 61   and name HA  ))
   (( segid "BBBB" and resid 62   and name HA  ))
 OR {   38}
   (( segid "AAAA" and resid 61   and name HA  ))
   (( segid "AAAA" and resid 63   and name HA  ))
 ASSI {   39}
   (( segid "BBBB" and resid 78   and name HG2 ))
   (( segid "BBBB" and resid 69   and name HA  ))
      1.800     1.800     4.200 peak    39 spectrum    1 weight  0.10000E+01 volume  0.38060E-02 ppm1      1.533 ppm2      4.323 CV     1
 OR {   39}
   (( segid "BBBB" and resid 33   and name HG  ))
   (( segid "BBBB" and resid 69   and name HA  ))
 OR {   39}
   (( segid "AAAA" and resid 88   and name HG2 ))
   (( segid "AAAA" and resid 87   and name HA  ))
 ASSI {   40}
   (( segid "BBBB" and resid 41   and name HG  ))
   (( segid "BBBB" and resid 40   and name HA  ))
      2.100     2.100     3.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.40920E-02 ppm1      1.018 ppm2      3.902 CV     1
 OR {   40}
   (( segid "AAAA" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 40   and name HA  ))
 ASSI {   41}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (( segid "AAAA" and resid 61   and name HG2 ))
      1.800     1.800     4.200 peak    41 spectrum    1 weight  0.10000E+01 volume  0.61086E-02 ppm1      1.252 ppm2      1.444 CV     1
 OR {   41}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 46   and name HG  ))
 OR {   41}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 46   and name HG  ))
 ASSI {   42}
   (( segid "BBBB" and resid 22   and name HG1 ))
   (( segid "BBBB" and resid 22   and name HB  ))
      2.100     0.500     0.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.31948E-02 ppm1      0.819 ppm2      4.323 CV     1
 ASSI {   46}
   (( segid "BBBB" and resid 89   and name HG2 ))
   (( segid "BBBB" and resid 90   and name HG2 ))
      1.800     0.400     0.400 peak    46 spectrum    1 weight  0.10000E+01 volume  0.56127E-02 ppm1      1.018 ppm2      2.252 CV     1
 ASSI {   47}
   (( segid "AAAA" and resid 39   and name HD2 ))
   (( segid "AAAA" and resid 36   and name HB2 ))
      1.600     1.600     4.400 peak    47 spectrum    1 weight  0.10000E+01 volume  0.83915E-02 ppm1      1.662 ppm2      2.925 CV     1
 OR {   47}
   (( segid "BBBB" and resid 39   and name HD2 ))
   (( segid "BBBB" and resid 36   and name HB2 ))
 ASSI {   51}
   (( segid "AAAA" and resid 9    and name HB2 ))
   (( segid "AAAA" and resid 9    and name HA  ))
      1.600     1.600     4.400 peak    51 spectrum    1 weight  0.10000E+01 volume  0.64264E-02 ppm1      1.697 ppm2      4.165 CV     1
 OR {   51}
   (( segid "AAAA" and resid 46   and name HB2 ))
   (( segid "AAAA" and resid 47   and name HA  ))
 ASSI {   52}
   (( segid "BBBB" and resid 30   and name HB2 ))
   (( segid "AAAA" and resid 94   and name HA2 ))
      1.800     1.800     4.200 peak    52 spectrum    1 weight  0.10000E+01 volume  0.66723E-02 ppm1      1.862 ppm2      3.826 CV     1
 OR {   52}
   (( segid "BBBB" and resid 30   and name HB2 ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {   52}
   (( segid "BBBB" and resid 29   and name HB2 ))
   (( segid "AAAA" and resid 94   and name HA2 ))
 OR {   52}
   (( segid "BBBB" and resid 29   and name HB2 ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {   52}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
 OR {   52}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 81   and name HA2 ))
 OR {   52}
   (( segid "BBBB" and resid 59   and name HB2 ))
   (( segid "BBBB" and resid 43   and name HA  ))
 ASSI {   54}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 10   and name HA  ))
      5.500     3.800     0.500 peak    54 spectrum    1 weight  0.10000E+01 volume  0.10263E-02 ppm1      1.135 ppm2      3.691 CV     1
 ASSI {   57}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 88   and name HA  ))
      1.400     1.400     4.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.47276E-02 ppm1      0.748 ppm2      4.007 CV     1
 OR {   57}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 88   and name HA  ))
 OR {   57}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 69   and name HB2 ))
 OR {   57}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 88   and name HA  ))
 OR {   57}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 90   and name HA  ))
 OR {   57}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 90   and name HA  ))
 ASSI {   58}
   (( segid "AAAA" and resid 8    and name HB2 ))
   (( segid "AAAA" and resid 8    and name HA  ))
      1.800     0.400     0.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.39086E-02 ppm1      2.072 ppm2      4.124 CV     1
 OR {   58}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 11   and name HA  ))
 ASSI {   60}
   (( segid "AAAA" and resid 60   and name HB2 ))
   (( segid "AAAA" and resid 57   and name HA  ))
      1.500     1.500     4.500 peak    60 spectrum    1 weight  0.10000E+01 volume  0.63047E-02 ppm1      1.721 ppm2      4.247 CV     1
 ASSI {   62}
   (  segid "BBBB" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 96   and name HG2 ))
      2.000     2.000     4.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.29761E-02 ppm1      0.830 ppm2      1.550 CV     1
 ASSI {   65}
   (( segid "BBBB" and resid 17   and name HB  ))
   (( segid "BBBB" and resid 17   and name HA  ))
      1.800     0.400     0.400 peak    65 spectrum    1 weight  0.10000E+01 volume  0.33496E-02 ppm1      2.283 ppm2      4.130 CV     1
 OR {   65}
   (( segid "AAAA" and resid 17   and name HB  ))
   (( segid "AAAA" and resid 17   and name HA  ))
 ASSI {   68}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
      2.000     2.000     4.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.19574E-02 ppm1      3.561 ppm2      3.820 CV     1
 ASSI {   69}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 79   and name HA  ))
      1.800     1.800     4.200 peak    69 spectrum    1 weight  0.10000E+01 volume  0.45967E-02 ppm1      1.498 ppm2      3.960 CV     1
 OR {   69}
   (( segid "BBBB" and resid 50   and name HG  ))
   (( segid "BBBB" and resid 51   and name HA  ))
 ASSI {   70}
   (( segid "AAAA" and resid 71   and name HB2 ))
   (( segid "AAAA" and resid 34   and name HA  ))
      1.400     1.400     4.600 peak    70 spectrum    1 weight  0.10000E+01 volume  0.41399E-02 ppm1      2.131 ppm2      4.095 CV     1
 OR {   70}
   (( segid "BBBB" and resid 71   and name HB2 ))
   (( segid "BBBB" and resid 34   and name HA  ))
 ASSI {   71}
   (( segid "BBBB" and resid 83   and name HB2 ))
   (( segid "BBBB" and resid 84   and name HA  ))
      1.900     1.900     4.100 peak    71 spectrum    1 weight  0.10000E+01 volume  0.41758E-02 ppm1      1.779 ppm2      3.545 CV     1
 ASSI {   72}
   (( segid "BBBB" and resid 4    and name HG2 ))
   (( segid "AAAA" and resid 51   and name HA  ))
      0.900     0.100     1.300 peak    72 spectrum    1 weight  0.10000E+01 volume  0.59086E-02 ppm1      2.143 ppm2      3.990 CV     1
 OR {   72}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "AAAA" and resid 90   and name HA  ))
 OR {   72}
   (( segid "BBBB" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 90   and name HA  ))
 OR {   72}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "AAAA" and resid 88   and name HA  ))
 OR {   72}
   (( segid "BBBB" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 88   and name HA  ))
 OR {   72}
   (( segid "AAAA" and resid 4    and name HG2 ))
   (( segid "BBBB" and resid 54   and name HA1 ))
 OR {   72}
   (( segid "BBBB" and resid 67   and name HB2 ))
   (( segid "BBBB" and resid 62   and name HB  ))
 OR {   72}
   (( segid "AAAA" and resid 67   and name HB2 ))
   (( segid "AAAA" and resid 62   and name HB  ))
 OR {   72}
   (( segid "BBBB" and resid 4    and name HG2 ))
   (( segid "AAAA" and resid 54   and name HA1 ))
 ASSI {   73}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "AAAA" and resid 1    and name HA  ))
      2.000     2.000     4.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.26753E-02 ppm1      1.604 ppm2      4.329 CV     1
 OR {   73}
   (( segid "AAAA" and resid 13   and name HG11))
   (( segid "AAAA" and resid 12   and name HA  ))
 ASSI {   74}
   (  segid "AAAA" and resid 35   and name HG2%)
   (( segid "AAAA" and resid 67   and name HA  ))
      2.100     0.500     0.500 peak    74 spectrum    1 weight  0.10000E+01 volume  0.25050E-02 ppm1      1.651 ppm2      3.984 CV     1
 OR {   74}
   (  segid "BBBB" and resid 35   and name HG2%)
   (( segid "BBBB" and resid 67   and name HA  ))
 OR {   74}
   (( segid "AAAA" and resid 93   and name HB2 ))
   (( segid "AAAA" and resid 90   and name HA  ))
 ASSI {   75}
   (( segid "AAAA" and resid 89   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HA  ))
      1.800     0.400     0.400 peak    75 spectrum    1 weight  0.10000E+01 volume  0.38337E-02 ppm1      1.686 ppm2      4.013 CV     1
 OR {   75}
   (( segid "AAAA" and resid 93   and name HB2 ))
   (( segid "AAAA" and resid 90   and name HA  ))
 ASSI {   77}
   (( segid "AAAA" and resid 37   and name HB2 ))
   (( segid "AAAA" and resid 37   and name HG2 ))
      0.800     0.800     5.200 peak    77 spectrum    1 weight  0.10000E+01 volume  0.45454E-02 ppm1      2.061 ppm2      2.521 CV     1
 OR {   77}
   (( segid "BBBB" and resid 37   and name HB2 ))
   (( segid "BBBB" and resid 37   and name HG2 ))
 OR {   77}
   (( segid "BBBB" and resid 47   and name HB2 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 OR {   77}
   (( segid "BBBB" and resid 53   and name HB  ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 OR {   77}
   (( segid "AAAA" and resid 70   and name HG2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 ASSI {   78}
   (( segid "BBBB" and resid 66   and name HB2 ))
   (( segid "BBBB" and resid 69   and name HB2 ))
      1.300     0.200     0.900 peak    78 spectrum    1 weight  0.10000E+01 volume  0.30298E-02 ppm1      3.244 ppm2      3.978 CV     1
 OR {   78}
   (( segid "AAAA" and resid 66   and name HB2 ))
   (( segid "AAAA" and resid 69   and name HB2 ))
 OR {   78}
   (( segid "BBBB" and resid 80   and name HA  ))
   (( segid "BBBB" and resid 79   and name HA  ))
 OR {   78}
   (( segid "BBBB" and resid 66   and name HB2 ))
   (( segid "BBBB" and resid 67   and name HA  ))
 OR {   78}
   (( segid "AAAA" and resid 66   and name HB2 ))
   (( segid "AAAA" and resid 67   and name HA  ))
 OR {   78}
   (( segid "AAAA" and resid 66   and name HB2 ))
   (( segid "AAAA" and resid 62   and name HB  ))
 ASSI {   79}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 78   and name HG2 ))
      2.100     2.100     3.900 peak    79 spectrum    1 weight  0.10000E+01 volume  0.38011E-02 ppm1      0.760 ppm2      1.544 CV     1
 OR {   79}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 78   and name HG2 ))
 OR {   79}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 79   and name HG  ))
 OR {   79}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 88   and name HG2 ))
 OR {   79}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 88   and name HG2 ))
 OR {   79}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 88   and name HG2 ))
 ASSI {   82}
   (( segid "BBBB" and resid 41   and name HG  ))
   (  segid "AAAA" and resid 7    and name HG2%)
      1.700     1.700     4.300 peak    82 spectrum    1 weight  0.10000E+01 volume  0.62684E-02 ppm1      0.983 ppm2      1.368 CV     1
 OR {   82}
   (( segid "AAAA" and resid 89   and name HG2 ))
   (  segid "BBBB" and resid 7    and name HG2%)
 ASSI {   85}
   (( segid "BBBB" and resid 41   and name HG  ))
   (( segid "BBBB" and resid 39   and name HG2 ))
      2.100     2.100     3.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.34779E-02 ppm1      0.983 ppm2      1.286 CV     1
 OR {   85}
   (( segid "AAAA" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
 ASSI {   88}
   (( segid "BBBB" and resid 89   and name HG2 ))
   (( segid "BBBB" and resid 85   and name HA  ))
      2.200     2.200     3.800 peak    88 spectrum    1 weight  0.10000E+01 volume  0.31863E-02 ppm1      0.994 ppm2      3.557 CV     1
 OR {   88}
   (( segid "AAAA" and resid 89   and name HG2 ))
   (( segid "AAAA" and resid 85   and name HA  ))
 ASSI {   90}
   (( segid "AAAA" and resid 60   and name HG2 ))
   (( segid "AAAA" and resid 57   and name HA  ))
      1.800     1.800     4.200 peak    90 spectrum    1 weight  0.10000E+01 volume  0.34721E-02 ppm1      2.190 ppm2      4.276 CV     1
 OR {   90}
   (( segid "BBBB" and resid 40   and name HB2 ))
   (( segid "BBBB" and resid 41   and name HA  ))
 ASSI {   91}
   (  segid "AAAA" and resid 21   and name HD% )
   (  segid "AAAA" and resid 21   and name HE% )
      2.000     0.500     0.500 peak    91 spectrum    1 weight  0.10000E+01 volume  0.25769E-02 ppm1      6.702 ppm2      7.102 CV     1
 ASSI {   98}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 87   and name HA  ))
      2.200     0.600     0.600 peak    98 spectrum    1 weight  0.10000E+01 volume  0.28006E-02 ppm1      1.920 ppm2      4.270 CV     1
 OR {   98}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 ASSI {   99}
   (( segid "AAAA" and resid 88   and name HG2 ))
   (( segid "AAAA" and resid 88   and name HA  ))
      1.900     0.500     0.500 peak    99 spectrum    1 weight  0.10000E+01 volume  0.37989E-02 ppm1      1.580 ppm2      4.001 CV     1
 ASSI {  102}
   (  segid "AAAA" and resid 20   and name HD% )
   (  segid "AAAA" and resid 21   and name HE% )
      2.100     0.500     0.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.22575E-02 ppm1      6.573 ppm2      7.102 CV     1
 OR {  102}
   (  segid "BBBB" and resid 20   and name HD% )
   (  segid "BBBB" and resid 20   and name HE% )
 OR {  102}
   (  segid "AAAA" and resid 73   and name HD% )
   (  segid "AAAA" and resid 73   and name HE% )
 ASSI {  105}
   (( segid "BBBB" and resid 95   and name HB  ))
   (( segid "BBBB" and resid 95   and name HA  ))
      2.100     0.500     0.500 peak   105 spectrum    1 weight  0.10000E+01 volume  0.24458E-02 ppm1      1.791 ppm2      4.031 CV     1
 ASSI {  106}
   (( segid "BBBB" and resid 30   and name HB2 ))
   (( segid "BBBB" and resid 75   and name HA  ))
      0.900     0.900     5.100 peak   106 spectrum    1 weight  0.10000E+01 volume  0.23369E-02 ppm1      1.885 ppm2      4.405 CV     1
 OR {  106}
   (( segid "AAAA" and resid 30   and name HB2 ))
   (( segid "AAAA" and resid 75   and name HA  ))
 OR {  106}
   (( segid "AAAA" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 2    and name HA  ))
 OR {  106}
   (( segid "BBBB" and resid 29   and name HB2 ))
   (( segid "BBBB" and resid 75   and name HA  ))
 OR {  106}
   (( segid "AAAA" and resid 29   and name HB2 ))
   (( segid "AAAA" and resid 75   and name HA  ))
 OR {  106}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "AAAA" and resid 2    and name HA  ))
 OR {  106}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 35   and name HA  ))
 OR {  106}
   (( segid "BBBB" and resid 59   and name HB2 ))
   (( segid "BBBB" and resid 35   and name HA  ))
 OR {  106}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 6    and name HA  ))
 OR {  106}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 35   and name HA  ))
 ASSI {  107}
   (( segid "AAAA" and resid 43   and name HA  ))
   (( segid "AAAA" and resid 43   and name HB  ))
      2.300     0.600     0.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.17698E-02 ppm1      3.772 ppm2      4.036 CV     1
 ASSI {  108}
   (( segid "BBBB" and resid 14   and name HG2 ))
   (( segid "BBBB" and resid 11   and name HA  ))
      2.200     2.200     3.800 peak   108 spectrum    1 weight  0.10000E+01 volume  0.22302E-02 ppm1      2.436 ppm2      4.124 CV     1
 OR {  108}
   (( segid "AAAA" and resid 40   and name HG2 ))
   (( segid "AAAA" and resid 38   and name HA  ))
 OR {  108}
   (( segid "AAAA" and resid 10   and name HG2 ))
   (( segid "AAAA" and resid 8    and name HA  ))
 OR {  108}
   (( segid "BBBB" and resid 40   and name HG2 ))
   (( segid "BBBB" and resid 38   and name HA  ))
 OR {  108}
   (( segid "BBBB" and resid 14   and name HG2 ))
   (( segid "BBBB" and resid 15   and name HA  ))
 OR {  108}
   (( segid "AAAA" and resid 14   and name HG2 ))
   (( segid "AAAA" and resid 15   and name HA  ))
 ASSI {  109}
   (( segid "BBBB" and resid 45   and name HG2 ))
   (( segid "BBBB" and resid 57   and name HB2 ))
      0.800     0.800     5.200 peak   109 spectrum    1 weight  0.10000E+01 volume  0.17087E-02 ppm1      2.295 ppm2      2.515 CV     1
 OR {  109}
   (( segid "BBBB" and resid 45   and name HG2 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 OR {  109}
   (( segid "BBBB" and resid 58   and name HG2 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 ASSI {  113}
   (( segid "AAAA" and resid 35   and name HB  ))
   (( segid "AAAA" and resid 67   and name HB2 ))
      1.100     1.100     4.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.26309E-02 ppm1      2.037 ppm2      2.176 CV     1
 OR {  113}
   (( segid "BBBB" and resid 58   and name HB2 ))
   (( segid "BBBB" and resid 60   and name HG2 ))
 OR {  113}
   (( segid "BBBB" and resid 53   and name HB  ))
   (( segid "AAAA" and resid 4    and name HG2 ))
 OR {  113}
   (( segid "BBBB" and resid 58   and name HB2 ))
   (( segid "AAAA" and resid 4    and name HG2 ))
 OR {  113}
   (( segid "BBBB" and resid 53   and name HB  ))
   (( segid "BBBB" and resid 60   and name HG2 ))
 ASSI {  114}
   (( segid "BBBB" and resid 37   and name HB2 ))
   (( segid "BBBB" and resid 40   and name HB2 ))
      1.400     1.400     4.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.29058E-02 ppm1      2.049 ppm2      2.187 CV     1
 OR {  114}
   (( segid "AAAA" and resid 37   and name HB2 ))
   (( segid "AAAA" and resid 40   and name HB2 ))
 OR {  114}
   (( segid "AAAA" and resid 70   and name HG2 ))
   (( segid "AAAA" and resid 67   and name HB2 ))
 ASSI {  115}
   (( segid "BBBB" and resid 41   and name HG  ))
   (( segid "BBBB" and resid 38   and name HA  ))
      2.100     0.500     0.500 peak   115 spectrum    1 weight  0.10000E+01 volume  0.42679E-02 ppm1      0.983 ppm2      4.183 CV     1
 OR {  115}
   (( segid "AAAA" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 38   and name HA  ))
 ASSI {  116}
   (( segid "BBBB" and resid 57   and name HB2 ))
   (( segid "BBBB" and resid 57   and name HA  ))
      2.000     2.000     4.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.24701E-02 ppm1      2.506 ppm2      4.294 CV     1
 ASSI {  117}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 87   and name HA  ))
      2.400     2.400     3.600 peak   117 spectrum    1 weight  0.10000E+01 volume  0.17351E-02 ppm1      0.760 ppm2      4.329 CV     1
 OR {  117}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 87   and name HA  ))
 ASSI {  119}
   (( segid "BBBB" and resid 26   and name HB2 ))
   (( segid "BBBB" and resid 24   and name HA  ))
      1.800     1.800     4.200 peak   119 spectrum    1 weight  0.10000E+01 volume  0.34063E-02 ppm1      2.061 ppm2      3.674 CV     1
 OR {  119}
   (( segid "AAAA" and resid 26   and name HB2 ))
   (( segid "AAAA" and resid 24   and name HA  ))
 ASSI {  120}
   (( segid "BBBB" and resid 57   and name HB2 ))
   (( segid "BBBB" and resid 59   and name HA  ))
      2.200     2.200     3.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.21193E-02 ppm1      2.530 ppm2      4.118 CV     1
 OR {  120}
   (( segid "AAAA" and resid 57   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HA  ))
 ASSI {  121}
   (( segid "AAAA" and resid 43   and name HA  ))
   (( segid "AAAA" and resid 43   and name HB  ))
      2.300     0.700     0.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.12274E-02 ppm1      3.807 ppm2      4.101 CV     1
 OR {  121}
   (( segid "BBBB" and resid 21   and name HA  ))
   (( segid "BBBB" and resid 17   and name HA  ))
 ASSI {  122}
   (( segid "BBBB" and resid 93   and name HB2 ))
   (( segid "AAAA" and resid 76   and name HB2 ))
      1.600     1.600     4.400 peak   122 spectrum    1 weight  0.10000E+01 volume  0.27744E-02 ppm1      1.721 ppm2      2.814 CV     1
 OR {  122}
   (( segid "AAAA" and resid 96   and name HB2 ))
   (( segid "BBBB" and resid 76   and name HB2 ))
 OR {  122}
   (( segid "BBBB" and resid 96   and name HB2 ))
   (( segid "AAAA" and resid 76   and name HB2 ))
 ASSI {  128}
   (( segid "AAAA" and resid 89   and name HG2 ))
   (( segid "AAAA" and resid 88   and name HB2 ))
      1.900     1.900     4.100 peak   128 spectrum    1 weight  0.10000E+01 volume  0.39057E-02 ppm1      0.983 ppm2      1.485 CV     1
 OR {  128}
   (( segid "BBBB" and resid 89   and name HG2 ))
   (( segid "AAAA" and resid 6    and name HG  ))
 ASSI {  131}
   (( segid "BBBB" and resid 80   and name HB  ))
   (( segid "BBBB" and resid 79   and name HN  ))
      2.200     2.200     3.800 peak   131 spectrum    1 weight  0.10000E+01 volume  0.19508E-02 ppm1      1.428 ppm2      6.857 CV     1
 OR {  131}
   (( segid "BBBB" and resid 93   and name HG  ))
   (  segid "AAAA" and resid 76   and name HD% )
 OR {  131}
   (( segid "AAAA" and resid 93   and name HG  ))
   (  segid "BBBB" and resid 76   and name HD% )
 ASSI {  134}
   (( segid "BBBB" and resid 59   and name HB2 ))
   (( segid "BBBB" and resid 60   and name HG2 ))
      2.100     2.100     3.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.47102E-02 ppm1      1.862 ppm2      2.199 CV     1
 OR {  134}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 60   and name HG2 ))
 ASSI {  135}
   (  segid "BBBB" and resid 38   and name HD% )
   (  segid "BBBB" and resid 20   and name HE% )
      2.100     0.600     0.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.20604E-02 ppm1      7.006 ppm2      7.114 CV     1
 OR {  135}
   (  segid "BBBB" and resid 23   and name HE% )
   (  segid "BBBB" and resid 20   and name HE% )
 ASSI {  136}
   (  segid "BBBB" and resid 23   and name HE% )
   (  segid "BBBB" and resid 20   and name HE% )
      2.100     2.100     3.900 peak   136 spectrum    1 weight  0.10000E+01 volume  0.23343E-02 ppm1      6.971 ppm2      7.102 CV     1
 ASSI {  137}
   (( segid "BBBB" and resid 51   and name HE2 ))
   (( segid "BBBB" and resid 47   and name HD2 ))
      2.600     0.900     0.900 peak   137 spectrum    1 weight  0.10000E+01 volume  0.35265E-03 ppm1      3.092 ppm2      3.182 CV     1
 OR {  137}
   (( segid "AAAA" and resid 97   and name HE2 ))
   (( segid "BBBB" and resid 29   and name HD2 ))
 OR {  137}
   (( segid "BBBB" and resid 51   and name HE2 ))
   (( segid "BBBB" and resid 47   and name HD1 ))
 OR {  137}
   (( segid "AAAA" and resid 51   and name HE2 ))
   (( segid "AAAA" and resid 47   and name HD1 ))
 OR {  137}
   (( segid "BBBB" and resid 97   and name HE2 ))
   (( segid "AAAA" and resid 29   and name HD2 ))
 ASSI {  138}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 1    and name HA  ))
      6.500     5.500     0.600 peak   138 spectrum    1 weight  0.10000E+01 volume  0.14947E-02 ppm1      1.112 ppm2      4.311 CV     1
 ASSI {  139}
   (  segid "AAAA" and resid 76   and name HD% )
   (( segid "AAAA" and resid 75   and name HN  ))
      2.200     2.200     3.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.17073E-02 ppm1      6.854 ppm2      7.079 CV     1
 OR {  139}
   (  segid "BBBB" and resid 76   and name HD% )
   (( segid "BBBB" and resid 75   and name HN  ))
 ASSI {  140}
   (( segid "AAAA" and resid 89   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HA  ))
      2.000     0.500     0.500 peak   140 spectrum    1 weight  0.10000E+01 volume  0.28712E-02 ppm1      1.639 ppm2      4.089 CV     1
 ASSI {  141}
   (( segid "AAAA" and resid 31   and name HA1 ))
   (( segid "AAAA" and resid 74   and name HA  ))
      5.100     3.200     1.200 peak   141 spectrum    1 weight  0.10000E+01 volume  0.37051E-03 ppm1      3.889 ppm2      4.066 CV     1
 OR {  141}
   (( segid "BBBB" and resid 31   and name HA1 ))
   (( segid "BBBB" and resid 74   and name HA  ))
 ASSI {  142}
   (( segid "AAAA" and resid 97   and name HD2 ))
   (( segid "BBBB" and resid 29   and name HD2 ))
      1.900     1.900     4.100 peak   142 spectrum    1 weight  0.10000E+01 volume  0.21445E-02 ppm1      1.604 ppm2      3.176 CV     1
 OR {  142}
   (( segid "BBBB" and resid 97   and name HD2 ))
   (( segid "AAAA" and resid 29   and name HD2 ))
 ASSI {  143}
   (( segid "BBBB" and resid 26   and name HB2 ))
   (( segid "BBBB" and resid 25   and name HA2 ))
      5.000     3.200     1.500 peak   143 spectrum    1 weight  0.10000E+01 volume  0.21083E-02 ppm1      2.026 ppm2      3.826 CV     1
 OR {  143}
   (( segid "AAAA" and resid 26   and name HB2 ))
   (( segid "AAAA" and resid 25   and name HA2 ))
 OR {  143}
   (( segid "AAAA" and resid 47   and name HB2 ))
   (( segid "AAAA" and resid 43   and name HA  ))
 ASSI {  145}
   (  segid "AAAA" and resid 21   and name HD% )
   (( segid "AAAA" and resid 79   and name HN  ))
      1.200     1.200     4.800 peak   145 spectrum    1 weight  0.10000E+01 volume  0.17307E-02 ppm1      6.713 ppm2      6.851 CV     1
 ASSI {  147}
   (( segid "BBBB" and resid 97   and name HG2 ))
   (( segid "AAAA" and resid 29   and name HA  ))
      1.400     1.400     4.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.22879E-02 ppm1      1.346 ppm2      3.960 CV     1
 OR {  147}
   (( segid "BBBB" and resid 51   and name HG2 ))
   (( segid "BBBB" and resid 54   and name HA1 ))
 OR {  147}
   (( segid "BBBB" and resid 97   and name HG2 ))
   (( segid "AAAA" and resid 74   and name HB2 ))
 ASSI {  149}
   (( segid "BBBB" and resid 85   and name HG2 ))
   (( segid "BBBB" and resid 82   and name HA  ))
      2.000     2.000     4.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.17867E-02 ppm1      1.522 ppm2      3.832 CV     1
  OR {  149}
   (( segid "AAAA" and resid 85   and name HG2 ))
   (( segid "AAAA" and resid 81   and name HA2 ))
 ASSI {  150}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 76   and name HB2 ))
      2.200     2.200     3.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.34082E-02 ppm1      1.510 ppm2      2.825 CV     1
 OR {  150}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 76   and name HB2 ))
 ASSI {  156}
   (( segid "AAAA" and resid 33   and name HB2 ))
   (( segid "AAAA" and resid 67   and name HB2 ))
      2.200     2.200     3.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.11978E-02 ppm1      1.990 ppm2      2.117 CV     1
 OR {  156}
   (( segid "AAAA" and resid 35   and name HB  ))
   (( segid "AAAA" and resid 67   and name HB2 ))
 OR {  156}
   (( segid "AAAA" and resid 78   and name HB2 ))
   (( segid "AAAA" and resid 70   and name HG2 ))
 OR {  156}
   (( segid "BBBB" and resid 78   and name HB2 ))
   (( segid "BBBB" and resid 70   and name HG2 ))
 ASSI {  157}
   (( segid "BBBB" and resid 90   and name HG2 ))
   (( segid "BBBB" and resid 86   and name HG2 ))
      3.100     1.200     1.200 peak   157 spectrum    1 weight  0.10000E+01 volume  0.25052E-03 ppm1      2.248 ppm2      2.357 CV     1
 OR {  157}
   (( segid "BBBB" and resid 40   and name HB2 ))
   (( segid "BBBB" and resid 37   and name HG2 ))
 OR {  157}
   (( segid "AAAA" and resid 40   and name HB2 ))
   (( segid "AAAA" and resid 37   and name HG2 ))
 ASSI {  160}
   (( segid "AAAA" and resid 88   and name HG2 ))
   (( segid "AAAA" and resid 84   and name HA  ))
      2.000     2.000     4.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.24110E-02 ppm1      1.580 ppm2      3.551 CV     1
 OR {  160}
   (( segid "BBBB" and resid 89   and name HD2 ))
   (( segid "BBBB" and resid 85   and name HA  ))
 ASSI {  161}
   (( segid "AAAA" and resid 93   and name HG  ))
   (( segid "AAAA" and resid 93   and name HA  ))
      2.100     0.500     0.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.21724E-02 ppm1      1.404 ppm2      4.089 CV     1
 ASSI {  162}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 79   and name HB2 ))
      2.200     2.200     3.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.25701E-02 ppm1      1.908 ppm2      2.240 CV     1
 OR {  162}
   (( segid "AAAA" and resid 29   and name HB2 ))
   (( segid "AAAA" and resid 27   and name HG2 ))
 OR {  162}
   (( segid "BBBB" and resid 29   and name HB2 ))
   (( segid "BBBB" and resid 27   and name HG2 ))
 OR {  162}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 60   and name HG2 ))
 OR {  162}
   (( segid "AAAA" and resid 61   and name HB2 ))
   (( segid "AAAA" and resid 60   and name HG2 ))
 ASSI {  163}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 46   and name HB2 ))
      2.400     0.700     0.700 peak   163 spectrum    1 weight  0.10000E+01 volume  0.89424E-03 ppm1      1.428 ppm2      1.667 CV     1
 OR {  163}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 9    and name HB2 ))
 OR {  163}
   (( segid "AAAA" and resid 93   and name HG  ))
   (( segid "AAAA" and resid 93   and name HB2 ))
 OR {  163}
   (( segid "BBBB" and resid 61   and name HG2 ))
   (( segid "BBBB" and resid 61   and name HD2 ))
 ASSI {  164}
   (( segid "BBBB" and resid 51   and name HE2 ))
   (( segid "BBBB" and resid 47   and name HD2 ))
      3.000     1.100     1.100 peak   164 spectrum    1 weight  0.10000E+01 volume  0.27817E-03 ppm1      3.115 ppm2      3.235 CV     1
 OR {  164}
   (( segid "BBBB" and resid 51   and name HE2 ))
   (( segid "BBBB" and resid 47   and name HD1 ))
 OR {  164}
   (( segid "AAAA" and resid 51   and name HE2 ))
   (( segid "AAAA" and resid 47   and name HD1 ))
 OR {  164}
   (( segid "BBBB" and resid 59   and name HD2 ))
   (( segid "BBBB" and resid 47   and name HD1 ))
 ASSI {  165}
   (  segid "AAAA" and resid 35   and name HG2%)
   (( segid "AAAA" and resid 35   and name HA  ))
      1.800     0.400     0.400 peak   165 spectrum    1 weight  0.10000E+01 volume  0.20241E-02 ppm1      1.674 ppm2      4.405 CV     1
 ASSI {  168}
   (( segid "BBBB" and resid 58   and name HB2 ))
   (( segid "AAAA" and resid 4    and name HA  ))
      1.700     1.700     4.300 peak   168 spectrum    1 weight  0.10000E+01 volume  0.18807E-02 ppm1      2.026 ppm2      4.235 CV     1
 OR {  168}
   (( segid "BBBB" and resid 53   and name HB  ))
   (( segid "AAAA" and resid 4    and name HA  ))
 OR {  168}
   (( segid "BBBB" and resid 1    and name HB2 ))
   (( segid "AAAA" and resid 44   and name HA  ))
 ASSI {  169}
   (( segid "AAAA" and resid 97   and name HG2 ))
   (( segid "AAAA" and resid 94   and name HA2 ))
      2.200     2.200     3.800 peak   169 spectrum    1 weight  0.10000E+01 volume  0.17864E-02 ppm1      1.287 ppm2      3.832 CV     1
 OR {  169}
   (( segid "AAAA" and resid 97   and name HG2 ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 ASSI {  170}
   (( segid "AAAA" and resid 27   and name HB2 ))
   (( segid "AAAA" and resid 29   and name HD2 ))
      2.300     2.300     3.700 peak   170 spectrum    1 weight  0.10000E+01 volume  0.16495E-02 ppm1      1.733 ppm2      3.170 CV     1
 OR {  170}
   (( segid "BBBB" and resid 27   and name HB2 ))
   (( segid "BBBB" and resid 29   and name HD2 ))
 OR {  170}
   (( segid "AAAA" and resid 85   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HE2 ))
 OR {  170}
   (( segid "BBBB" and resid 85   and name HB2 ))
   (( segid "BBBB" and resid 89   and name HE2 ))
 ASSI {  171}
   (( segid "AAAA" and resid 11   and name HA  ))
   (( segid "AAAA" and resid 12   and name HA  ))
      2.100     2.100     3.900 peak   171 spectrum    1 weight  0.10000E+01 volume  0.14157E-02 ppm1      4.147 ppm2      4.358 CV     1
 OR {  171}
   (( segid "BBBB" and resid 11   and name HA  ))
   (( segid "BBBB" and resid 12   and name HA  ))
 OR {  171}
   (( segid "AAAA" and resid 9    and name HA  ))
   (( segid "AAAA" and resid 12   and name HA  ))
 OR {  171}
   (( segid "AAAA" and resid 15   and name HA  ))
   (( segid "AAAA" and resid 12   and name HA  ))
 OR {  171}
   (( segid "BBBB" and resid 15   and name HA  ))
   (( segid "BBBB" and resid 12   and name HA  ))
 OR {  171}
   (( segid "BBBB" and resid 59   and name HA  ))
   (( segid "AAAA" and resid 1    and name HA  ))
 OR {  171}
   (( segid "BBBB" and resid 8    and name HA  ))
   (( segid "BBBB" and resid 12   and name HA  ))
 ASSI {  174}
   (( segid "AAAA" and resid 93   and name HG  ))
   (( segid "AAAA" and resid 94   and name HA2 ))
      2.100     2.100     3.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.20054E-02 ppm1      1.440 ppm2      3.820 CV     1
 OR {  174}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 43   and name HA  ))
 OR {  174}
   (( segid "AAAA" and resid 80   and name HB  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
 OR {  174}
   (( segid "AAAA" and resid 93   and name HG  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 ASSI {  175}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      3.000     1.100     1.100 peak   175 spectrum    1 weight  0.10000E+01 volume  0.24312E-03 ppm1      1.205 ppm2      1.333 CV     1
 OR {  175}
   (( segid "AAAA" and resid 63   and name HG  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
 ASSI {  176}
   (  segid "BBBB" and resid 5    and name HG2%)
   (  segid "BBBB" and resid 7    and name HG2%)
      3.300     1.400     1.400 peak   176 spectrum    1 weight  0.10000E+01 volume  0.26452E-03 ppm1      1.194 ppm2      1.357 CV     1
 OR {  176}
   (  segid "AAAA" and resid 5    and name HG2%)
   (  segid "AAAA" and resid 7    and name HG2%)
 OR {  176}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 51   and name HG2 ))
 OR {  176}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 51   and name HG2 ))
 OR {  176}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (  segid "BBBB" and resid 7    and name HG2%)
 ASSI {  177}
   (( segid "BBBB" and resid 70   and name HB2 ))
   (( segid "BBBB" and resid 72   and name HD2 ))
      2.000     2.000     4.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.27379E-02 ppm1      1.779 ppm2      3.317 CV     1
 OR {  177}
   (( segid "AAAA" and resid 70   and name HB2 ))
   (( segid "AAAA" and resid 72   and name HD2 ))
 ASSI {  183}
   (( segid "BBBB" and resid 6    and name HG  ))
   (( segid "BBBB" and resid 6    and name HA  ))
      2.100     2.100     3.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.17954E-02 ppm1      1.475 ppm2      4.370 CV     1
 OR {  183}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "BBBB" and resid 2    and name HA  ))
 ASSI {  184}
   (( segid "BBBB" and resid 38   and name HA  ))
   (  segid "BBBB" and resid 23   and name HE% )
      2.100     0.600     0.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.17878E-02 ppm1      4.170 ppm2      7.102 CV     1
 ASSI {  188}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (( segid "AAAA" and resid 23   and name HA  ))
      2.100     0.600     0.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.20026E-02 ppm1      2.752 ppm2      3.978 CV     1
 ASSI {  189}
   (( segid "BBBB" and resid 95   and name HB  ))
   (( segid "BBBB" and resid 96   and name HD2 ))
      6.000     4.500     1.500 peak   189 spectrum    1 weight  0.10000E+01 volume  0.21988E-02 ppm1      1.768 ppm2      3.112 CV     1
 ASSI {  193}
   (( segid "BBBB" and resid 45   and name HB2 ))
   (( segid "BBBB" and resid 47   and name HD2 ))
      1.500     1.500     4.500 peak   193 spectrum    1 weight  0.10000E+01 volume  0.18344E-02 ppm1      1.803 ppm2      3.170 CV     1
 OR {  193}
   (( segid "BBBB" and resid 51   and name HB2 ))
   (( segid "BBBB" and resid 47   and name HD2 ))
 OR {  193}
   (( segid "BBBB" and resid 45   and name HB2 ))
   (( segid "BBBB" and resid 47   and name HD1 ))
 ASSI {  195}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 44   and name HB2 ))
      2.100     2.100     3.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.26259E-02 ppm1      1.604 ppm2      2.334 CV     1
 OR {  195}
   (( segid "BBBB" and resid 13   and name HG11))
   (( segid "BBBB" and resid 82   and name HG2 ))
 OR {  195}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 37   and name HG2 ))
 OR {  195}
   (( segid "AAAA" and resid 41   and name HB2 ))
   (( segid "AAAA" and resid 37   and name HG2 ))
 ASSI {  197}
   (( segid "BBBB" and resid 58   and name HA  ))
   (( segid "BBBB" and resid 57   and name HA  ))
      2.400     2.400     3.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.79121E-03 ppm1      4.030 ppm2      4.300 CV     1
 OR {  197}
   (( segid "AAAA" and resid 90   and name HA  ))
   (( segid "AAAA" and resid 87   and name HA  ))
 OR {  197}
   (( segid "BBBB" and resid 90   and name HA  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {  197}
   (( segid "BBBB" and resid 61   and name HA  ))
   (( segid "BBBB" and resid 57   and name HA  ))
 OR {  197}
   (( segid "AAAA" and resid 61   and name HA  ))
   (( segid "AAAA" and resid 57   and name HA  ))
 ASSI {  199}
   (( segid "BBBB" and resid 8    and name HB2 ))
   (( segid "BBBB" and resid 12   and name HA  ))
      2.600     2.600     3.400 peak   199 spectrum    1 weight  0.10000E+01 volume  0.94797E-03 ppm1      2.061 ppm2      4.393 CV     1
 OR {  199}
   (( segid "AAAA" and resid 8    and name HB2 ))
   (( segid "AAAA" and resid 12   and name HA  ))
 OR {  199}
   (( segid "BBBB" and resid 8    and name HB2 ))
   (( segid "AAAA" and resid 15   and name HB  ))
 OR {  199}
   (( segid "AAAA" and resid 53   and name HB  ))
   (( segid "BBBB" and resid 2    and name HA  ))
 OR {  199}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 12   and name HA  ))
 OR {  199}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 15   and name HB  ))
 OR {  199}
   (( segid "AAAA" and resid 14   and name HB2 ))
   (( segid "AAAA" and resid 15   and name HB  ))
 ASSI {  200}
   (  segid "AAAA" and resid 22   and name HG2%)
   (  segid "AAAA" and resid 21   and name HE% )
      2.200     2.200     3.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.16996E-02 ppm1      1.440 ppm2      7.085 CV     1
 OR {  200}
   (  segid "BBBB" and resid 22   and name HG2%)
   (  segid "BBBB" and resid 21   and name HE% )
 ASSI {  202}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 41   and name HA  ))
      0.800     0.800     5.200 peak   202 spectrum    1 weight  0.10000E+01 volume  0.14374E-02 ppm1      2.565 ppm2      4.311 CV     1
 OR {  202}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 3    and name HA  ))
 ASSI {  203}
   (( segid "AAAA" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 9    and name HA  ))
      2.100     2.100     3.900 peak   203 spectrum    1 weight  0.10000E+01 volume  0.14529E-02 ppm1      2.119 ppm2      4.206 CV     1
 ASSI {  206}
   (( segid "AAAA" and resid 39   and name HD2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      2.300     2.300     3.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.21340E-02 ppm1      1.721 ppm2      2.521 CV     1
 ASSI {  207}
   (( segid "BBBB" and resid 97   and name HD2 ))
   (( segid "BBBB" and resid 97   and name HA  ))
      1.600     1.600     4.400 peak   207 spectrum    1 weight  0.10000E+01 volume  0.11581E-02 ppm1      1.580 ppm2      4.224 CV     1
 OR {  207}
   (( segid "AAAA" and resid 98   and name HD2 ))
   (( segid "AAAA" and resid 97   and name HA  ))
 OR {  207}
   (( segid "BBBB" and resid 98   and name HD2 ))
   (( segid "BBBB" and resid 97   and name HA  ))
 OR {  207}
   (( segid "BBBB" and resid 97   and name HD2 ))
   (( segid "BBBB" and resid 96   and name HA  ))
 OR {  207}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "AAAA" and resid 4    and name HA  ))
 ASSI {  208}
   (( segid "BBBB" and resid 37   and name HG2 ))
   (( segid "BBBB" and resid 23   and name HA  ))
      2.300     2.300     3.700 peak   208 spectrum    1 weight  0.10000E+01 volume  0.12416E-02 ppm1      2.342 ppm2      3.832 CV     1
 OR {  208}
   (( segid "AAAA" and resid 37   and name HG2 ))
   (( segid "AAAA" and resid 23   and name HA  ))
 ASSI {  210}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 39   and name HB2 ))
      1.200     0.200     1.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.74337E-03 ppm1      1.299 ppm2      1.638 CV     1
 OR {  210}
   (( segid "AAAA" and resid 39   and name HG2 ))
   (( segid "AAAA" and resid 39   and name HB2 ))
 ASSI {  211}
   (( segid "BBBB" and resid 63   and name HB2 ))
   (( segid "BBBB" and resid 66   and name HB2 ))
      2.100     2.100     3.900 peak   211 spectrum    1 weight  0.10000E+01 volume  0.12526E-02 ppm1      1.651 ppm2      3.252 CV     1
 OR {  211}
   (( segid "AAAA" and resid 63   and name HB2 ))
   (( segid "AAAA" and resid 66   and name HB2 ))
 ASSI {  212}
   (( segid "AAAA" and resid 76   and name HB2 ))
   (( segid "BBBB" and resid 94   and name HA1 ))
      2.300     0.700     0.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.23755E-02 ppm1      2.858 ppm2      3.814 CV     1
 OR {  212}
   (( segid "BBBB" and resid 76   and name HB2 ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 ASSI {  213}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (  segid "BBBB" and resid 21   and name HE% )
      2.100     2.100     3.900 peak   213 spectrum    1 weight  0.10000E+01 volume  0.18469E-02 ppm1      1.276 ppm2      7.102 CV     1
 OR {  213}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (  segid "AAAA" and resid 20   and name HE% )
 ASSI {  217}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 43   and name HB  ))
      2.400     0.700     0.700 peak   217 spectrum    1 weight  0.10000E+01 volume  0.94279E-03 ppm1      1.112 ppm2      4.095 CV     1
 ASSI {  221}
   (( segid "AAAA" and resid 22   and name HG1 ))
   (  segid "AAAA" and resid 20   and name HE% )
      2.500     2.500     3.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.10376E-02 ppm1      0.877 ppm2      7.102 CV     1
 OR {  221}
   (  segid "AAAA" and resid 95   and name HG2%)
   (( segid "BBBB" and resid 75   and name HN  ))
 OR {  221}
   (  segid "BBBB" and resid 95   and name HG2%)
   (( segid "AAAA" and resid 75   and name HN  ))
 OR {  221}
   (  segid "AAAA" and resid 95   and name HG2%)
   (  segid "BBBB" and resid 73   and name HE% )
 ASSI {  222}
   (( segid "AAAA" and resid 6    and name HG  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
      1.900     1.900     4.100 peak   222 spectrum    1 weight  0.10000E+01 volume  0.21910E-02 ppm1      1.475 ppm2      2.316 CV     1
 OR {  222}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 82   and name HG2 ))
 OR {  222}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 OR {  222}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 ASSI {  226}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 58   and name HG2 ))
      2.300     2.300     3.700 peak   226 spectrum    1 weight  0.10000E+01 volume  0.15411E-02 ppm1      1.873 ppm2      2.328 CV     1
 OR {  226}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 OR {  226}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 OR {  226}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 OR {  226}
   (( segid "BBBB" and resid 29   and name HB2 ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 OR {  226}
   (( segid "BBBB" and resid 30   and name HB2 ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 ASSI {  228}
   (( segid "BBBB" and resid 76   and name HB2 ))
   (( segid "BBBB" and resid 77   and name HZ3 ))
      2.300     2.300     3.700 peak   228 spectrum    1 weight  0.10000E+01 volume  0.13055E-02 ppm1      2.811 ppm2      6.582 CV     1
 OR {  228}
   (( segid "AAAA" and resid 76   and name HB2 ))
   (  segid "AAAA" and resid 73   and name HD% )
 ASSI {  229}
   (( segid "BBBB" and resid 85   and name HB2 ))
   (( segid "BBBB" and resid 85   and name HA  ))
      2.300     0.600     0.600 peak   229 spectrum    1 weight  0.10000E+01 volume  0.14059E-02 ppm1      1.709 ppm2      3.504 CV     1
 ASSI {  230}
   (( segid "AAAA" and resid 38   and name HA  ))
   (  segid "AAAA" and resid 38   and name HD% )
      2.500     0.800     0.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.13413E-02 ppm1      4.194 ppm2      7.020 CV     1
 OR {  230}
   (( segid "BBBB" and resid 38   and name HA  ))
   (  segid "BBBB" and resid 38   and name HD% )
 ASSI {  231}
   (( segid "BBBB" and resid 21   and name HA  ))
   (  segid "BBBB" and resid 21   and name HE% )
      2.500     2.500     3.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.11145E-02 ppm1      3.760 ppm2      7.073 CV     1
 OR {  231}
   (( segid "AAAA" and resid 21   and name HA  ))
   (  segid "AAAA" and resid 21   and name HE% )
 ASSI {  233}
   (( segid "BBBB" and resid 10   and name HB2 ))
   (( segid "AAAA" and resid 90   and name HB2 ))
      2.500     2.500     3.500 peak   233 spectrum    1 weight  0.10000E+01 volume  0.70944E-03 ppm1      1.955 ppm2      2.070 CV     1
 ASSI {  234}
   (( segid "AAAA" and resid 51   and name HE2 ))
   (( segid "AAAA" and resid 48   and name HB2 ))
      1.700     1.700     4.300 peak   234 spectrum    1 weight  0.10000E+01 volume  0.15653E-02 ppm1      3.069 ppm2      3.328 CV     1
 OR {  234}
   (( segid "BBBB" and resid 51   and name HE2 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 ASSI {  236}
   (( segid "AAAA" and resid 25   and name HA2 ))
   (( segid "AAAA" and resid 25   and name HA1 ))
      2.700     2.700     3.300 peak   236 spectrum    1 weight  0.10000E+01 volume  0.47074E-03 ppm1      3.889 ppm2      4.153 CV     1
 ASSI {  237}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 32   and name HB2 ))
      4.400     2.700     1.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.98914E-03 ppm1      1.709 ppm2      3.703 CV     1
 ASSI {  238}
   (( segid "AAAA" and resid 85   and name HD2 ))
   (( segid "AAAA" and resid 81   and name HA2 ))
      2.000     2.000     4.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.11813E-02 ppm1      1.615 ppm2      3.832 CV     1
 ASSI {  239}
   (( segid "AAAA" and resid 21   and name HB2 ))
   (( segid "AAAA" and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.12710E-02 ppm1      3.315 ppm2      3.861 CV     1
 OR {  239}
   (( segid "BBBB" and resid 21   and name HB2 ))
   (( segid "BBBB" and resid 21   and name HA  ))
 ASSI {  240}
   (( segid "AAAA" and resid 35   and name HB  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      1.900     0.500     0.500 peak   240 spectrum    1 weight  0.10000E+01 volume  0.45277E-03 ppm1      2.014 ppm2      4.177 CV     1
 OR {  240}
   (( segid "BBBB" and resid 35   and name HB  ))
   (( segid "BBBB" and resid 35   and name HA  ))
 OR {  240}
   (( segid "AAAA" and resid 58   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HA  ))
 ASSI {  241}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HN  ))
      2.300     0.700     0.700 peak   241 spectrum    1 weight  0.10000E+01 volume  0.12595E-02 ppm1      1.897 ppm2      7.957 CV     1
 OR {  241}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 87   and name HN  ))
 ASSI {  242}
   (( segid "BBBB" and resid 73   and name HB2 ))
   (  segid "BBBB" and resid 73   and name HD% )
      2.300     0.700     0.700 peak   242 spectrum    1 weight  0.10000E+01 volume  0.12096E-02 ppm1      3.022 ppm2      6.582 CV     1
 OR {  242}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (  segid "BBBB" and resid 20   and name HD% )
 ASSI {  243}
   (( segid "BBBB" and resid 49   and name HB2 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
      2.200     2.200     3.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.15795E-02 ppm1      1.580 ppm2      3.352 CV     1
 ASSI {  246}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "BBBB" and resid 3    and name HA  ))
      1.800     1.800     4.200 peak   246 spectrum    1 weight  0.10000E+01 volume  0.10296E-02 ppm1      2.764 ppm2      4.288 CV     1
 OR {  246}
   (( segid "BBBB" and resid 52   and name HB2 ))
   (( segid "AAAA" and resid 3    and name HA  ))
 OR {  246}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (( segid "AAAA" and resid 22   and name HB  ))
 ASSI {  252}
   (( segid "AAAA" and resid 96   and name HD2 ))
   (( segid "AAAA" and resid 92   and name HA  ))
      2.200     2.200     3.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.15926E-02 ppm1      3.069 ppm2      3.855 CV     1
 OR {  252}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 21   and name HA  ))
 OR {  252}
   (( segid "BBBB" and resid 59   and name HD2 ))
   (( segid "BBBB" and resid 53   and name HA  ))
 ASSI {  253}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
      2.600     2.600     3.400 peak   253 spectrum    1 weight  0.10000E+01 volume  0.11145E-02 ppm1      1.100 ppm2      2.515 CV     1
 ASSI {  259}
   (( segid "AAAA" and resid 74   and name HA  ))
   (( segid "AAAA" and resid 75   and name HA  ))
      2.900     1.100     1.100 peak   259 spectrum    1 weight  0.10000E+01 volume  0.45092E-03 ppm1      4.030 ppm2      4.364 CV     1
 OR {  259}
   (( segid "BBBB" and resid 74   and name HA  ))
   (( segid "BBBB" and resid 75   and name HA  ))
 ASSI {  260}
   (( segid "AAAA" and resid 51   and name HB2 ))
   (( segid "AAAA" and resid 44   and name HB2 ))
      2.100     2.100     3.900 peak   260 spectrum    1 weight  0.10000E+01 volume  0.13338E-02 ppm1      1.791 ppm2      2.334 CV     1
 OR {  260}
   (( segid "BBBB" and resid 13   and name HG12))
   (( segid "BBBB" and resid 82   and name HG2 ))
 OR {  260}
   (( segid "AAAA" and resid 83   and name HB2 ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 OR {  260}
   (( segid "BBBB" and resid 83   and name HB2 ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 OR {  260}
   (( segid "BBBB" and resid 83   and name HB2 ))
   (( segid "BBBB" and resid 82   and name HG2 ))
 ASSI {  261}
   (( segid "BBBB" and resid 51   and name HG2 ))
   (( segid "BBBB" and resid 46   and name HN  ))
      2.400     2.400     3.600 peak   261 spectrum    1 weight  0.10000E+01 volume  0.84421E-03 ppm1      1.369 ppm2      7.284 CV     1
 ASSI {  267}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 42   and name HN  ))
      2.500     2.500     3.500 peak   267 spectrum    1 weight  0.10000E+01 volume  0.74973E-03 ppm1      1.428 ppm2      8.501 CV     1
 OR {  267}
   (( segid "BBBB" and resid 61   and name HG2 ))
   (( segid "BBBB" and resid 42   and name HN  ))
 ASSI {  268}
   (( segid "AAAA" and resid 75   and name HB2 ))
   (( segid "AAAA" and resid 76   and name HB2 ))
      2.200     2.200     3.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.14475E-02 ppm1      1.897 ppm2      2.814 CV     1
 ASSI {  269}
   (( segid "BBBB" and resid 14   and name HG2 ))
   (( segid "BBBB" and resid 15   and name HB  ))
      2.600     2.600     3.400 peak   269 spectrum    1 weight  0.10000E+01 volume  0.94828E-03 ppm1      2.483 ppm2      4.405 CV     1
 OR {  269}
   (( segid "AAAA" and resid 14   and name HG2 ))
   (( segid "AAAA" and resid 15   and name HB  ))
 OR {  269}
   (( segid "AAAA" and resid 40   and name HG2 ))
   (( segid "AAAA" and resid 35   and name HA  ))
 OR {  269}
   (( segid "BBBB" and resid 40   and name HG2 ))
   (( segid "BBBB" and resid 35   and name HA  ))
 ASSI {  271}
   (( segid "AAAA" and resid 32   and name HB2 ))
   (( segid "AAAA" and resid 32   and name HA  ))
      2.800     1.000     1.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.69417E-03 ppm1      3.655 ppm2      5.160 CV     1
 OR {  271}
   (( segid "BBBB" and resid 32   and name HB2 ))
   (( segid "BBBB" and resid 32   and name HA  ))
 ASSI {  272}
   (( segid "BBBB" and resid 97   and name HE2 ))
   (( segid "BBBB" and resid 96   and name HA  ))
      1.800     1.800     4.200 peak   272 spectrum    1 weight  0.10000E+01 volume  0.17393E-02 ppm1      3.092 ppm2      4.229 CV     1
 OR {  272}
   (( segid "BBBB" and resid 51   and name HE2 ))
   (( segid "BBBB" and resid 49   and name HA  ))
 OR {  272}
   (( segid "BBBB" and resid 51   and name HE2 ))
   (( segid "BBBB" and resid 44   and name HA  ))
 OR {  272}
   (( segid "BBBB" and resid 97   and name HE2 ))
   (( segid "BBBB" and resid 97   and name HA  ))
 ASSI {  275}
   (( segid "BBBB" and resid 83   and name HB2 ))
   (( segid "BBBB" and resid 82   and name HB2 ))
      5.400     3.200     1.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.23350E-02 ppm1      1.791 ppm2      2.047 CV     1
 OR {  275}
   (( segid "AAAA" and resid 83   and name HB2 ))
   (( segid "AAAA" and resid 82   and name HB2 ))
 ASSI {  276}
   (  segid "BBBB" and resid 80   and name HG2%)
   (( segid "BBBB" and resid 79   and name HN  ))
      2.400     2.400     3.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.11142E-02 ppm1      0.713 ppm2      6.857 CV     1
 OR {  276}
   (  segid "BBBB" and resid 80   and name HG2%)
   (  segid "BBBB" and resid 76   and name HD% )
 OR {  276}
   (  segid "AAAA" and resid 80   and name HG2%)
   (  segid "AAAA" and resid 76   and name HD% )
 ASSI {  277}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (( segid "BBBB" and resid 19   and name HN  ))
      2.100     2.100     3.900 peak   277 spectrum    1 weight  0.10000E+01 volume  0.11672E-02 ppm1      1.252 ppm2      8.641 CV     1
 ASSI {  278}
   (( segid "AAAA" and resid 41   and name HG  ))
   (  segid "AAAA" and resid 38   and name HD% )
      2.600     0.800     0.800 peak   278 spectrum    1 weight  0.10000E+01 volume  0.12438E-02 ppm1      0.994 ppm2      7.015 CV     1
 OR {  278}
   (( segid "BBBB" and resid 41   and name HG  ))
   (  segid "BBBB" and resid 38   and name HD% )
 ASSI {  279}
   (( segid "BBBB" and resid 85   and name HG2 ))
   (( segid "BBBB" and resid 85   and name HE2 ))
      2.700     0.900     0.900 peak   279 spectrum    1 weight  0.10000E+01 volume  0.95827E-03 ppm1      1.498 ppm2      3.048 CV     1
 OR {  279}
   (( segid "AAAA" and resid 85   and name HG2 ))
   (( segid "AAAA" and resid 85   and name HE2 ))
 ASSI {  284}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 42   and name HA  ))
      2.800     2.800     3.200 peak   284 spectrum    1 weight  0.10000E+01 volume  0.77850E-03 ppm1      1.240 ppm2      3.451 CV     1
 OR {  284}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 42   and name HA  ))
 ASSI {  285}
   (( segid "BBBB" and resid 75   and name HB2 ))
   (( segid "BBBB" and resid 77   and name HH2 ))
      2.400     2.400     3.600 peak   285 spectrum    1 weight  0.10000E+01 volume  0.13874E-02 ppm1      2.319 ppm2      7.254 CV     1
 OR {  285}
   (( segid "AAAA" and resid 75   and name HB2 ))
   (( segid "AAAA" and resid 77   and name HH2 ))
 OR {  285}
   (( segid "AAAA" and resid 75   and name HB2 ))
   (( segid "AAAA" and resid 78   and name HN  ))
 OR {  285}
   (( segid "AAAA" and resid 82   and name HG2 ))
   (( segid "AAAA" and resid 78   and name HN  ))
 OR {  285}
   (( segid "BBBB" and resid 82   and name HG2 ))
   (( segid "BBBB" and resid 78   and name HN  ))
 OR {  285}
   (( segid "BBBB" and resid 67   and name HG2 ))
   (( segid "BBBB" and resid 77   and name HH2 ))
 ASSI {  287}
   (( segid "BBBB" and resid 83   and name HG  ))
   (( segid "BBBB" and resid 84   and name HA  ))
      1.500     1.500     4.500 peak   287 spectrum    1 weight  0.10000E+01 volume  0.73223E-03 ppm1      1.451 ppm2      3.551 CV     1
 OR {  287}
   (( segid "BBBB" and resid 83   and name HG  ))
   (( segid "AAAA" and resid 84   and name HA  ))
 OR {  287}
   (( segid "BBBB" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 85   and name HA  ))
 OR {  287}
   (( segid "AAAA" and resid 83   and name HG  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  287}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "BBBB" and resid 85   and name HA  ))
 OR {  287}
   (( segid "AAAA" and resid 80   and name HB  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  287}
   (( segid "AAAA" and resid 83   and name HG  ))
   (( segid "AAAA" and resid 85   and name HA  ))
 OR {  287}
   (( segid "BBBB" and resid 83   and name HG  ))
   (( segid "BBBB" and resid 85   and name HA  ))
 ASSI {  288}
   (( segid "BBBB" and resid 83   and name HG  ))
   (( segid "BBBB" and resid 84   and name HA  ))
      2.000     2.000     4.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.63688E-03 ppm1      1.475 ppm2      3.586 CV     1
 OR {  288}
   (( segid "BBBB" and resid 83   and name HG  ))
   (( segid "AAAA" and resid 84   and name HA  ))
 OR {  288}
   (( segid "AAAA" and resid 83   and name HG  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 OR {  288}
   (( segid "BBBB" and resid 6    and name HG  ))
   (( segid "AAAA" and resid 84   and name HA  ))
 ASSI {  289}
   (( segid "AAAA" and resid 98   and name HG2 ))
   (( segid "AAAA" and resid 97   and name HN  ))
      2.400     2.400     3.600 peak   289 spectrum    1 weight  0.10000E+01 volume  0.10830E-02 ppm1      1.276 ppm2      8.243 CV     1
 OR {  289}
   (( segid "BBBB" and resid 98   and name HG2 ))
   (( segid "BBBB" and resid 97   and name HN  ))
 ASSI {  294}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 85   and name HA  ))
      3.000     3.000     3.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.53159E-03 ppm1      1.182 ppm2      3.516 CV     1
 OR {  294}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 85   and name HA  ))
 ASSI {  297}
   (( segid "AAAA" and resid 80   and name HB  ))
   (( segid "AAAA" and resid 77   and name HB2 ))
      2.500     2.500     3.500 peak   297 spectrum    1 weight  0.10000E+01 volume  0.77967E-03 ppm1      1.381 ppm2      3.007 CV     1
 ASSI {  298}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 86   and name HA  ))
      2.500     2.500     3.500 peak   298 spectrum    1 weight  0.10000E+01 volume  0.86656E-03 ppm1      3.561 ppm2      4.101 CV     1
 OR {  298}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 86   and name HA  ))
 ASSI {  299}
   (( segid "BBBB" and resid 82   and name HB2 ))
   (( segid "BBBB" and resid 84   and name HA  ))
      2.800     2.800     3.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.61548E-03 ppm1      2.072 ppm2      3.545 CV     1
 OR {  299}
   (( segid "AAAA" and resid 82   and name HB2 ))
   (( segid "AAAA" and resid 84   and name HA  ))
 ASSI {  300}
   (( segid "BBBB" and resid 76   and name HB2 ))
   (( segid "BBBB" and resid 76   and name HA  ))
      2.300     0.700     0.700 peak   300 spectrum    1 weight  0.10000E+01 volume  0.13712E-02 ppm1      2.881 ppm2      4.083 CV     1
 ASSI {  301}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 20   and name HN  ))
      2.500     0.800     0.800 peak   301 spectrum    1 weight  0.10000E+01 volume  0.13597E-02 ppm1      3.080 ppm2      7.026 CV     1
 OR {  301}
   (( segid "AAAA" and resid 20   and name HB2 ))
   (( segid "AAAA" and resid 20   and name HN  ))
 OR {  301}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (  segid "BBBB" and resid 38   and name HD% )
 ASSI {  302}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "BBBB" and resid 17   and name HA  ))
      2.600     2.600     3.400 peak   302 spectrum    1 weight  0.10000E+01 volume  0.10261E-02 ppm1      3.057 ppm2      4.112 CV     1
 OR {  302}
   (( segid "AAAA" and resid 20   and name HB2 ))
   (( segid "AAAA" and resid 17   and name HA  ))
 ASSI {  305}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 89   and name HD2 ))
      2.600     2.600     3.400 peak   305 spectrum    1 weight  0.10000E+01 volume  0.33874E-03 ppm1      1.194 ppm2      1.556 CV     1
 ASSI {  308}
   (( segid "BBBB" and resid 52   and name HB2 ))
   (( segid "AAAA" and resid 5    and name HA  ))
      2.700     2.700     3.300 peak   308 spectrum    1 weight  0.10000E+01 volume  0.72880E-03 ppm1      2.752 ppm2      4.118 CV     1
 OR {  308}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "BBBB" and resid 5    and name HA  ))
 ASSI {  311}
   (( segid "BBBB" and resid 86   and name HB2 ))
   (( segid "AAAA" and resid 80   and name HA  ))
      2.600     2.600     3.400 peak   311 spectrum    1 weight  0.10000E+01 volume  0.67670E-03 ppm1      2.131 ppm2      3.258 CV     1
 OR {  311}
   (( segid "BBBB" and resid 71   and name HB2 ))
   (( segid "BBBB" and resid 72   and name HD2 ))
 OR {  311}
   (( segid "AAAA" and resid 71   and name HB2 ))
   (( segid "AAAA" and resid 72   and name HD2 ))
 OR {  311}
   (( segid "BBBB" and resid 71   and name HB2 ))
   (( segid "BBBB" and resid 26   and name HD2 ))
 OR {  311}
   (( segid "AAAA" and resid 71   and name HB2 ))
   (( segid "AAAA" and resid 26   and name HD2 ))
 OR {  311}
   (( segid "BBBB" and resid 86   and name HB2 ))
   (( segid "BBBB" and resid 80   and name HA  ))
 ASSI {  312}
   (( segid "AAAA" and resid 6    and name HG  ))
   (( segid "AAAA" and resid 11   and name HN  ))
      2.800     1.000     1.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.68850E-03 ppm1      1.487 ppm2      9.279 CV     1
 OR {  312}
   (( segid "BBBB" and resid 6    and name HG  ))
   (( segid "BBBB" and resid 11   and name HN  ))
 OR {  312}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 77   and name HN  ))
 OR {  312}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 77   and name HN  ))
 ASSI {  313}
   (( segid "AAAA" and resid 66   and name HB2 ))
   (  segid "AAAA" and resid 38   and name HD% )
      2.600     0.800     0.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.11496E-02 ppm1      3.221 ppm2      7.026 CV     1
 OR {  313}
   (( segid "BBBB" and resid 66   and name HB2 ))
   (  segid "BBBB" and resid 38   and name HD% )
 ASSI {  314}
   (( segid "AAAA" and resid 60   and name HB2 ))
   (( segid "AAAA" and resid 60   and name HG2 ))
      2.300     0.700     0.700 peak   314 spectrum    1 weight  0.10000E+01 volume  0.11531E-02 ppm1      1.733 ppm2      2.234 CV     1
 OR {  314}
   (( segid "BBBB" and resid 27   and name HB2 ))
   (( segid "BBBB" and resid 27   and name HG2 ))
 ASSI {  316}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 41   and name HB2 ))
      2.700     2.700     3.300 peak   316 spectrum    1 weight  0.10000E+01 volume  0.69356E-03 ppm1      1.205 ppm2      1.608 CV     1
 OR {  316}
   (( segid "BBBB" and resid 62   and name HG1 ))
   (( segid "BBBB" and resid 41   and name HB2 ))
 OR {  316}
   (( segid "BBBB" and resid 63   and name HG  ))
   (( segid "BBBB" and resid 41   and name HB2 ))
 OR {  316}
   (( segid "AAAA" and resid 63   and name HG  ))
   (( segid "AAAA" and resid 41   and name HB2 ))
 OR {  316}
   (( segid "AAAA" and resid 15   and name HG1 ))
   (( segid "AAAA" and resid 13   and name HG11))
 OR {  316}
   (( segid "BBBB" and resid 15   and name HG1 ))
   (( segid "BBBB" and resid 13   and name HG11))
 ASSI {  317}
   (( segid "BBBB" and resid 47   and name HB2 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
      2.200     2.200     3.800 peak   317 spectrum    1 weight  0.10000E+01 volume  0.92705E-03 ppm1      2.084 ppm2      3.311 CV     1
 ASSI {  318}
   (( segid "AAAA" and resid 30   and name HB2 ))
   (( segid "AAAA" and resid 76   and name HB2 ))
      2.300     2.300     3.700 peak   318 spectrum    1 weight  0.10000E+01 volume  0.11831E-02 ppm1      1.862 ppm2      2.855 CV     1
 OR {  318}
   (( segid "BBBB" and resid 61   and name HB2 ))
   (( segid "BBBB" and resid 64   and name HB2 ))
 ASSI {  322}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 77   and name HD1 ))
      1.900     1.900     4.100 peak   322 spectrum    1 weight  0.10000E+01 volume  0.67869E-03 ppm1      1.463 ppm2      7.254 CV     1
 OR {  322}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 77   and name HH2 ))
 ASSI {  323}
   (( segid "AAAA" and resid 60   and name HG2 ))
   (( segid "AAAA" and resid 57   and name HB2 ))
      3.000     3.000     3.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.39253E-03 ppm1      2.201 ppm2      2.515 CV     1
 OR {  323}
   (( segid "BBBB" and resid 60   and name HG2 ))
   (( segid "BBBB" and resid 57   and name HB2 ))
 ASSI {  324}
   (( segid "BBBB" and resid 47   and name HB1 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
      2.200     2.200     3.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.15170E-02 ppm1      2.014 ppm2      3.340 CV     1
 OR {  324}
   (( segid "BBBB" and resid 47   and name HB2 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 ASSI {  329}
   (( segid "AAAA" and resid 37   and name HB2 ))
   (( segid "AAAA" and resid 40   and name HG2 ))
      2.100     0.600     0.600 peak   329 spectrum    1 weight  0.10000E+01 volume  0.26364E-03 ppm1      2.084 ppm2      2.445 CV     1
 OR {  329}
   (( segid "BBBB" and resid 37   and name HB2 ))
   (( segid "BBBB" and resid 40   and name HG2 ))
 ASSI {  330}
   (( segid "BBBB" and resid 6    and name HB2 ))
   (( segid "AAAA" and resid 86   and name HG2 ))
      2.400     0.700     0.700 peak   330 spectrum    1 weight  0.10000E+01 volume  0.17195E-02 ppm1      1.697 ppm2      2.310 CV     1
 OR {  330}
   (( segid "BBBB" and resid 9    and name HB2 ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 OR {  330}
   (( segid "AAAA" and resid 6    and name HB2 ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 ASSI {  332}
   (( segid "AAAA" and resid 96   and name HB2 ))
   (( segid "AAAA" and resid 93   and name HA  ))
      5.500     3.700     1.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.40051E-03 ppm1      1.756 ppm2      4.095 CV     1
 ASSI {  333}
   (( segid "BBBB" and resid 27   and name HB2 ))
   (( segid "BBBB" and resid 27   and name HG2 ))
      2.400     0.700     0.700 peak   333 spectrum    1 weight  0.10000E+01 volume  0.97006E-03 ppm1      1.791 ppm2      2.205 CV     1
 ASSI {  335}
   (( segid "AAAA" and resid 7    and name HA  ))
   (( segid "AAAA" and resid 7    and name HB  ))
      2.600     0.800     0.800 peak   335 spectrum    1 weight  0.10000E+01 volume  0.59767E-03 ppm1      4.487 ppm2      4.926 CV     1
 ASSI {  337}
   (( segid "AAAA" and resid 9    and name HG  ))
   (( segid "AAAA" and resid 7    and name HB  ))
      2.700     2.700     3.300 peak   337 spectrum    1 weight  0.10000E+01 volume  0.48135E-03 ppm1      1.428 ppm2      4.926 CV     1
 ASSI {  343}
   (( segid "AAAA" and resid 60   and name HG2 ))
   (( segid "AAAA" and resid 60   and name HA  ))
      2.600     0.800     0.800 peak   343 spectrum    1 weight  0.10000E+01 volume  0.56080E-03 ppm1      2.237 ppm2      3.328 CV     1
 OR {  343}
   (( segid "AAAA" and resid 60   and name HG2 ))
   (( segid "AAAA" and resid 56   and name HA  ))
 ASSI {  344}
   (( segid "BBBB" and resid 88   and name HB2 ))
   (( segid "BBBB" and resid 87   and name HN  ))
      2.500     2.500     3.500 peak   344 spectrum    1 weight  0.10000E+01 volume  0.64293E-03 ppm1      1.487 ppm2      7.957 CV     1
 OR {  344}
   (( segid "AAAA" and resid 88   and name HB2 ))
   (( segid "AAAA" and resid 87   and name HN  ))
 OR {  344}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 43   and name HN  ))
 OR {  344}
   (( segid "AAAA" and resid 83   and name HG  ))
   (( segid "AAAA" and resid 87   and name HN  ))
 ASSI {  346}
   (( segid "AAAA" and resid 46   and name HG  ))
   (( segid "AAAA" and resid 53   and name HB  ))
      5.500     3.700     1.500 peak   346 spectrum    1 weight  0.10000E+01 volume  0.36832E-03 ppm1      1.088 ppm2      1.608 CV     1
 OR {  346}
   (( segid "BBBB" and resid 46   and name HG ))
   (( segid "BBBB" and resid 53   and name HB ))
 ASSI {  350}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      2.800     2.800     3.200 peak   350 spectrum    1 weight  0.10000E+01 volume  0.76353E-03 ppm1      1.194 ppm2      2.527 CV     1
 OR {  350}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 OR {  350}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 OR {  350}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 57   and name HB2 ))
 ASSI {  355}
   (( segid "AAAA" and resid 72   and name HB2 ))
   (( segid "AAAA" and resid 72   and name HD2 ))
      2.800     1.000     1.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.66376E-03 ppm1      2.319 ppm2      3.305 CV     1
 OR {  355}
   (( segid "BBBB" and resid 72   and name HB2 ))
   (( segid "BBBB" and resid 72   and name HD2 ))
 ASSI {  356}
   (( segid "BBBB" and resid 78   and name HB2 ))
   (( segid "BBBB" and resid 77   and name HA  ))
      2.500     2.500     3.500 peak   356 spectrum    1 weight  0.10000E+01 volume  0.11748E-02 ppm1      1.979 ppm2      3.750 CV     1
 OR {  356}
   (( segid "AAAA" and resid 78   and name HB2 ))
   (( segid "AAAA" and resid 77   and name HA  ))
 OR {  356}
   (( segid "BBBB" and resid 1    and name HB2 ))
   (( segid "AAAA" and resid 54   and name HA2 ))
 ASSI {  361}
   (( segid "AAAA" and resid 82   and name HB2 ))
   (( segid "AAAA" and resid 80   and name HA  ))
      1.900     1.900     4.100 peak   361 spectrum    1 weight  0.10000E+01 volume  0.79534E-03 ppm1      2.037 ppm2      3.264 CV     1
OR {  361}
   (( segid "BBBB" and resid 82   and name HB2 ))
   (( segid "BBBB" and resid 80   and name HA  ))
 ASSI {  363}
   (( segid "BBBB" and resid 52   and name HN  ))
   (( segid "BBBB" and resid 54   and name HN  ))
      3.000     1.100     1.100 peak   363 spectrum    1 weight  0.10000E+01 volume  0.26460E-03 ppm1      8.448 ppm2      8.571 CV     1
 ASSI {  366}
   (( segid "BBBB" and resid 17   and name HB  ))
   (( segid "BBBB" and resid 17   and name HN  ))
      2.600     0.800     0.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.57007E-03 ppm1      2.260 ppm2      8.243 CV     1
 ASSI {  367}
   (( segid "BBBB" and resid 89   and name HG2 ))
   (( segid "BBBB" and resid 90   and name HB2 ))
      2.600     0.900     0.900 peak   367 spectrum    1 weight  0.10000E+01 volume  0.60380E-03 ppm1      0.994 ppm2      2.076 CV     1
 OR {  367}
   (( segid "AAAA" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 37   and name HB2 ))
 ASSI {  371}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 2    and name HA  ))
      4.300     3.700     0.700 peak   371 spectrum    1 weight  0.10000E+01 volume  0.63054E-03 ppm1      1.229 ppm2      4.364 CV     1
 ASSI {  372}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (( segid "AAAA" and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.70040E-03 ppm1      2.776 ppm2      3.843 CV     1
 OR {  372}
   (( segid "BBBB" and resid 23   and name HB2 ))
   (( segid "BBBB" and resid 21   and name HA  ))
 ASSI {  374}
   (( segid "AAAA" and resid 36   and name HB2 ))
   (( segid "AAAA" and resid 36   and name HA  ))
      2.700     0.900     0.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.49025E-03 ppm1      2.881 ppm2      4.452 CV     1
 ASSI {  375}
   (  segid "BBBB" and resid 23   and name HE% )
   (  segid "BBBB" and resid 38   and name HE% )
      5.600     3.900     2.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.31367E-03 ppm1      6.702 ppm2      7.020 CV     1
 OR {  375}
   (  segid "AAAA" and resid 23   and name HD% )
   (  segid "AAAA" and resid 38   and name HD% )
 ASSI {  381}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 6    and name HB2 ))
      3.400     1.500     1.500 peak   381 spectrum    1 weight  0.10000E+01 volume  0.44418E-03 ppm1      1.205 ppm2      1.684 CV     1
 OR {  381}
   (( segid "AAAA" and resid 63   and name HG  ))
   (( segid "AAAA" and resid 63   and name HB2 ))
 ASSI {  382}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 84   and name HA  ))
      2.600     2.600     3.400 peak   382 spectrum    1 weight  0.10000E+01 volume  0.69175E-03 ppm1      1.920 ppm2      3.522 CV     1
 ASSI {  383}
   (( segid "AAAA" and resid 72   and name HG2 ))
   (( segid "AAAA" and resid 31   and name HA1 ))
      2.500     2.500     3.500 peak   383 spectrum    1 weight  0.10000E+01 volume  0.72273E-03 ppm1      1.709 ppm2      3.855 CV     1
 OR {  383}
   (( segid "BBBB" and resid 72   and name HG2 ))
   (( segid "BBBB" and resid 31   and name HA1 ))
 ASSI {  386}
   (( segid "BBBB" and resid 46   and name HG  ))
   (( segid "BBBB" and resid 56   and name HA  ))
      2.500     2.500     3.500 peak   386 spectrum    1 weight  0.10000E+01 volume  0.80935E-03 ppm1      1.440 ppm2      3.276 CV     1
 OR {  386}
   (( segid "BBBB" and resid 61   and name HG2 ))
   (( segid "BBBB" and resid 60   and name HA  ))
 OR {  386}
   (( segid "AAAA" and resid 61   and name HG2 ))
   (( segid "AAAA" and resid 60   and name HA  ))
 OR {  386}
   (( segid "AAAA" and resid 71   and name HG  ))
   (( segid "AAAA" and resid 72   and name HD2 ))
 OR {  386}
   (( segid "BBBB" and resid 71   and name HG  ))
   (( segid "BBBB" and resid 72   and name HD2 ))
 ASSI {  388}
   (( segid "BBBB" and resid 45   and name HG2 ))
   (( segid "BBBB" and resid 42   and name HA  ))
      2.800     1.000     1.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.37330E-03 ppm1      2.283 ppm2      3.475 CV     1
 ASSI {  391}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 63   and name HA  ))
      1.700     1.700     4.300 peak   391 spectrum    1 weight  0.10000E+01 volume  0.98895E-03 ppm1      3.315 ppm2      4.206 CV     1
 OR {  391}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 62   and name HA  ))
 ASSI {  398}
   (( segid "AAAA" and resid 19   and name HG1 ))
   (  segid "AAAA" and resid 20   and name HD% )
      2.700     2.700     3.300 peak   398 spectrum    1 weight  0.10000E+01 volume  0.91507E-03 ppm1      1.252 ppm2      6.857 CV     1
 OR {  398}
   (( segid "BBBB" and resid 19   and name HG1 ))
   (  segid "BBBB" and resid 20   and name HD% )
 ASSI {  405}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 77   and name HD1 ))
      1.200     1.200     4.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.41122E-03 ppm1      3.561 ppm2      7.278 CV     1
 OR {  405}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 77   and name HD1 ))
 ASSI {  411}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 39   and name HD2 ))
      2.500     2.500     3.500 peak   411 spectrum    1 weight  0.10000E+01 volume  0.34539E-03 ppm1      1.088 ppm2      1.684 CV     1
 OR {  411}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (( segid "BBBB" and resid 39   and name HD2 ))
 ASSI {  419}
   (( segid "AAAA" and resid 97   and name HG2 ))
   (( segid "BBBB" and resid 29   and name HG2 ))
      2.700     2.700     3.300 peak   419 spectrum    1 weight  0.10000E+01 volume  0.17330E-03 ppm1      1.311 ppm2      1.760 CV     1
 ASSI {  423}
   (( segid "BBBB" and resid 13   and name HG12))
   (( segid "BBBB" and resid 16   and name HB  ))
      2.600     2.600     3.400 peak   423 spectrum    1 weight  0.10000E+01 volume  0.61931E-03 ppm1      1.815 ppm2      2.638 CV     1
 ASSI {  427}
   (( segid "BBBB" and resid 47   and name HD1 ))
   (( segid "BBBB" and resid 42   and name HA  ))
      1.600     1.600     4.400 peak   427 spectrum    1 weight  0.10000E+01 volume  0.36979E-03 ppm1      3.209 ppm2      3.463 CV     1
 OR {  427}
   (( segid "BBBB" and resid 80   and name HA  ))
   (( segid "BBBB" and resid 13   and name HA  ))
 OR {  427}
   (( segid "AAAA" and resid 80   and name HA  ))
   (( segid "AAAA" and resid 13   and name HA  ))
 OR {  427}
   (( segid "AAAA" and resid 66   and name HB2 ))
   (( segid "AAAA" and resid 34   and name HB2 ))
 OR {  427}
   (( segid "BBBB" and resid 66   and name HB2 ))
   (( segid "BBBB" and resid 42   and name HA  ))
 ASSI {  429}
   (( segid "BBBB" and resid 41   and name HG  ))
   (( segid "AAAA" and resid 1    and name HA  ))
      2.800     2.800     3.200 peak   429 spectrum    1 weight  0.10000E+01 volume  0.37860E-03 ppm1      0.983 ppm2      4.370 CV     1
 OR {  429}
   (( segid "AAAA" and resid 89   and name HG2 ))
   (( segid "BBBB" and resid 6    and name HA  ))
 OR {  429}
   (( segid "BBBB" and resid 89   and name HG2 ))
   (( segid "AAAA" and resid 6    and name HA  ))
 ASSI {  433}
   (( segid "BBBB" and resid 71   and name HB2 ))
   (( segid "BBBB" and resid 73   and name HB2 ))
      1.100     1.100     4.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.71403E-03 ppm1      2.166 ppm2      2.773 CV     1
 OR {  433}
   (( segid "AAAA" and resid 71   and name HB2 ))
   (( segid "AAAA" and resid 73   and name HB2 ))
 ASSI {  441}
   (( segid "AAAA" and resid 72   and name HA  ))
   (( segid "AAAA" and resid 32   and name HA  ))
      2.900     2.900     3.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.32724E-03 ppm1      4.909 ppm2      5.160 CV     1
 ASSI {  442}
   (( segid "BBBB" and resid 51   and name HB2 ))
   (( segid "BBBB" and resid 51   and name HN  ))
      2.000     0.500     0.500 peak   442 spectrum    1 weight  0.10000E+01 volume  0.61839E-03 ppm1      1.791 ppm2      7.102 CV     1
 ASSI {  443}
   (( segid "BBBB" and resid 36   and name HB2 ))
   (  segid "BBBB" and resid 23   and name HD% )
      2.800     1.000     1.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.69313E-03 ppm1      2.893 ppm2      6.874 CV     1
 OR {  443}
   (( segid "AAAA" and resid 36   and name HB2 ))
   (  segid "AAAA" and resid 23   and name HD% )
 ASSI {  445}
   (( segid "BBBB" and resid 59   and name HG2 ))
   (( segid "BBBB" and resid 59   and name HN  ))
      3.000     1.100     1.100 peak   445 spectrum    1 weight  0.10000E+01 volume  0.52665E-03 ppm1      1.205 ppm2      7.933 CV     1
 OR {  445}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 59   and name HN  ))
 OR {  445}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 5    and name HN  ))
 OR {  445}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 5    and name HN  ))
 OR {  445}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 87   and name HN  ))
 ASSI {  449}
   (( segid "BBBB" and resid 52   and name HB2 ))
   (( segid "BBBB" and resid 54   and name HA2 ))
      2.600     2.600     3.400 peak   449 spectrum    1 weight  0.10000E+01 volume  0.57341E-03 ppm1      2.729 ppm2      3.756 CV     1
 ASSI {  450}
   (  segid "AAAA" and resid 20   and name HD% )
   (  segid "AAAA" and resid 23   and name HE% )
      2.800     1.000     1.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.33967E-03 ppm1      6.573 ppm2      6.974 CV     1
 ASSI {  451}
   (( segid "AAAA" and resid 98   and name HE2 ))
   (( segid "AAAA" and resid 96   and name HA  ))
      1.700     1.700     4.300 peak   451 spectrum    1 weight  0.10000E+01 volume  0.27181E-03 ppm1      3.186 ppm2      4.241 CV     1
 OR {  451}
   (( segid "BBBB" and resid 98   and name HE2 ))
   (( segid "BBBB" and resid 96   and name HA  ))
 ASSI {  457}
   (( segid "BBBB" and resid 78   and name HD2 ))
   (( segid "BBBB" and resid 69   and name HA  ))
      3.000     1.100     1.100 peak   457 spectrum    1 weight  0.10000E+01 volume  0.28189E-03 ppm1      3.162 ppm2      4.329 CV     1
 OR {  457}
   (( segid "AAAA" and resid 89   and name HE2 ))
   (( segid "AAAA" and resid 87   and name HA  ))
 ASSI {  459}
   (( segid "BBBB" and resid 52   and name HB2 ))
   (( segid "BBBB" and resid 51   and name HN  ))
      2.600     2.600     3.400 peak   459 spectrum    1 weight  0.10000E+01 volume  0.59913E-03 ppm1      2.740 ppm2      7.079 CV     1
 OR {  459}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "AAAA" and resid 51   and name HN  ))
 OR {  459}
   (( segid "BBBB" and resid 23   and name HB2 ))
   (  segid "BBBB" and resid 21   and name HE% )
 ASSI {  460}
   (( segid "AAAA" and resid 70   and name HG2 ))
   (( segid "AAAA" and resid 34   and name HB2 ))
      5.500     3.700     1.100 peak   460 spectrum    1 weight  0.10000E+01 volume  0.30153E-03 ppm1      2.119 ppm2      3.451 CV     1
 ASSI {  461}
   (( segid "AAAA" and resid 66   and name HB2 ))
   (( segid "AAAA" and resid 66   and name HA  ))
      2.500     0.800     0.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.53269E-03 ppm1      3.221 ppm2      4.194 CV     1
 OR {  461}
   (( segid "BBBB" and resid 66   and name HB2 ))
   (( segid "BBBB" and resid 66   and name HA  ))
 ASSI {  464}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 14   and name HN  ))
      2.700     0.900     0.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.48125E-03 ppm1      2.061 ppm2      8.401 CV     1
 OR {  464}
   (( segid "AAAA" and resid 37   and name HB2 ))
   (( segid "AAAA" and resid 39   and name HN  ))
 ASSI {  465}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 34   and name HA  ))
      2.900     2.900     3.100 peak   465 spectrum    1 weight  0.10000E+01 volume  0.52700E-03 ppm1      3.080 ppm2      4.932 CV     1
 OR {  465}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 34   and name HA  ))
 OR {  465}
   (( segid "BBBB" and resid 68   and name HB2 ))
   (( segid "BBBB" and resid 70   and name HA  ))
 OR {  465}
   (( segid "AAAA" and resid 68   and name HB2 ))
   (( segid "AAAA" and resid 70   and name HA  ))
 ASSI {  467}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.37512E-03 ppm1      2.530 ppm2      3.832 CV     1
 ASSI {  468}
   (( segid "BBBB" and resid 57   and name HB2 ))
   (( segid "BBBB" and resid 56   and name HA  ))
      2.700     2.700     3.300 peak   468 spectrum    1 weight  0.10000E+01 volume  0.47230E-03 ppm1      2.506 ppm2      3.328 CV     1
 OR {  468}
   (( segid "BBBB" and resid 57   and name HB2 ))
   (( segid "BBBB" and resid 60   and name HA  ))
 ASSI {  469}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 22   and name HN  ))
      2.800     2.800     3.200 peak   469 spectrum    1 weight  0.10000E+01 volume  0.33249E-03 ppm1      7.323 ppm2      8.501 CV     1
 OR {  469}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 22   and name HN  ))
 ASSI {  470}
   (( segid "AAAA" and resid 63   and name HG  ))
   (( segid "AAAA" and resid 60   and name HA  ))
      2.800     1.000     1.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.60424E-03 ppm1      1.205 ppm2      3.328 CV     1
 OR {  470}
   (( segid "BBBB" and resid 63   and name HG  ))
   (( segid "BBBB" and resid 60   and name HA  ))
 OR {  470}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 56   and name HA  ))
 ASSI {  472}
   (( segid "AAAA" and resid 70   and name HG2 ))
   (( segid "AAAA" and resid 70   and name HA  ))
      2.900     1.000     1.000 peak   472 spectrum    1 weight  0.10000E+01 volume  0.61991E-03 ppm1      2.084 ppm2      4.961 CV     1
 OR {  472}
   (( segid "BBBB" and resid 70   and name HG2 ))
   (( segid "BBBB" and resid 70   and name HA  ))
 ASSI {  473}
   (( segid "AAAA" and resid 20   and name HA  ))
   (( segid "AAAA" and resid 21   and name HA  ))
      2.600     0.900     0.900 peak   473 spectrum    1 weight  0.10000E+01 volume  0.64214E-03 ppm1      3.420 ppm2      3.837 CV     1
 OR {  473}
   (( segid "BBBB" and resid 20   and name HA  ))
   (( segid "BBBB" and resid 21   and name HA  ))
 ASSI {  474}
   (( segid "AAAA" and resid 36   and name HB2 ))
   (( segid "AAAA" and resid 38   and name HB2 ))
      4.300     2.300     1.700 peak   474 spectrum    1 weight  0.10000E+01 volume  0.29749E-04 ppm1      2.905 ppm2      3.106 CV     1
 ASSI {  475}
   (( segid "BBBB" and resid 79   and name HG  ))
   (( segid "BBBB" and resid 71   and name HA  ))
      2.800     2.800     3.200 peak   475 spectrum    1 weight  0.10000E+01 volume  0.36181E-03 ppm1      1.533 ppm2      5.745 CV     1
 OR {  475}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 71   and name HA  ))
 ASSI {  480}
   (( segid "BBBB" and resid 37   and name HG2 ))
   (( segid "BBBB" and resid 23   and name HB2 ))
      3.000     1.100     1.100 peak   480 spectrum    1 weight  0.10000E+01 volume  0.44735E-03 ppm1      2.377 ppm2      2.773 CV     1
 OR {  480}
   (( segid "AAAA" and resid 37   and name HG2 ))
   (( segid "AAAA" and resid 23   and name HB2 ))
 ASSI {  481}
   (( segid "AAAA" and resid 21   and name HA  ))
   (  segid "AAAA" and resid 21   and name HD% )
      2.700     0.900     0.900 peak   481 spectrum    1 weight  0.10000E+01 volume  0.44422E-03 ppm1      4.147 ppm2      6.704 CV     1
 ASSI {  483}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "AAAA" and resid 4    and name HG2 ))
      2.900     1.000     1.000 peak   483 spectrum    1 weight  0.10000E+01 volume  0.46499E-03 ppm1      1.194 ppm2      2.199 CV     1
 OR {  483}
   (  segid "BBBB" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 4    and name HG2 ))
 OR {  483}
   (( segid "AAAA" and resid 62   and name HG1 ))
   (( segid "AAAA" and resid 65   and name HB  ))
 OR {  483}
   (( segid "AAAA" and resid 59   and name HG2 ))
   (( segid "AAAA" and resid 60   and name HG2 ))
 OR {  483}
   (( segid "AAAA" and resid 63   and name HG  ))
   (( segid "AAAA" and resid 60   and name HG2 ))
 OR {  483}
   (( segid "BBBB" and resid 63   and name HG  ))
   (( segid "BBBB" and resid 60   and name HG2 ))
 ASSI {  484}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 60   and name HG2 ))
      2.800     2.800     3.200 peak   484 spectrum    1 weight  0.10000E+01 volume  0.40741E-03 ppm1      1.311 ppm2      2.182 CV     1
 OR {  484}
   (( segid "AAAA" and resid 39   and name HG2 ))
   (( segid "AAAA" and resid 60   and name HG2 ))
 OR {  484}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 40   and name HB2 ))
 ASSI {  485}
   (( segid "BBBB" and resid 30   and name HB2 ))
   (( segid "BBBB" and resid 73   and name HB2 ))
      4.900     3.000     1.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.31544E-03 ppm1      1.885 ppm2      3.018 CV     1
 ASSI {  488}
   (( segid "BBBB" and resid 8    and name HA  ))
   (( segid "BBBB" and resid 11   and name HN  ))
      3.200     1.200     1.200 peak   488 spectrum    1 weight  0.10000E+01 volume  0.36306E-03 ppm1      4.123 ppm2      9.285 CV     1
 OR {  488}
   (( segid "AAAA" and resid 8    and name HA  ))
   (( segid "AAAA" and resid 11   and name HN  ))
 OR {  488}
   (( segid "BBBB" and resid 11   and name HA  ))
   (( segid "BBBB" and resid 11   and name HN  ))
 OR {  488}
   (( segid "AAAA" and resid 11   and name HA  ))
   (( segid "AAAA" and resid 11   and name HN  ))
 ASSI {  491}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "AAAA" and resid 66   and name HB2 ))
      3.700     1.700     1.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.74284E-04 ppm1      3.057 ppm2      3.252 CV     1
 ASSI {  493}
   (  segid "AAAA" and resid 80   and name HG2%)
   (( segid "AAAA" and resid 77   and name HA  ))
      2.900     2.900     3.100 peak   493 spectrum    1 weight  0.10000E+01 volume  0.34011E-03 ppm1      0.760 ppm2      3.738 CV     1
 ASSI {  494}
   (( segid "BBBB" and resid 67   and name HG2 ))
   (( segid "BBBB" and resid 64   and name HB2 ))
      3.000     3.000     3.000 peak   494 spectrum    1 weight  0.10000E+01 volume  0.45433E-03 ppm1      2.283 ppm2      2.895 CV     1
 OR {  494}
   (( segid "AAAA" and resid 67   and name HG2 ))
   (( segid "AAAA" and resid 64   and name HB2 ))
 ASSI {  496}
   (( segid "AAAA" and resid 14   and name HA  ))
   (( segid "AAAA" and resid 14   and name HN  ))
      3.300     1.300     1.300 peak   496 spectrum    1 weight  0.10000E+01 volume  0.28648E-03 ppm1      3.889 ppm2      8.401 CV     1
 OR {  496}
   (( segid "BBBB" and resid 14   and name HA  ))
   (( segid "BBBB" and resid 14   and name HN  ))
 ASSI {  497}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "AAAA" and resid 59   and name HN  ))
      2.800     1.000     1.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.35466E-03 ppm1      4.123 ppm2      7.945 CV     1
 OR {  497}
   (( segid "BBBB" and resid 11   and name HA  ))
   (( segid "BBBB" and resid 12   and name HN  ))
 OR {  497}
   (( segid "AAAA" and resid 11   and name HA  ))
   (( segid "AAAA" and resid 12   and name HN  ))
 ASSI {  498}
   (( segid "BBBB" and resid 23   and name HB2 ))
   (( segid "BBBB" and resid 20   and name HB2 ))
      2.700     2.700     3.300 peak   498 spectrum    1 weight  0.10000E+01 volume  0.53002E-03 ppm1      2.717 ppm2      3.036 CV     1
 OR {  498}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (( segid "AAAA" and resid 38   and name HB2 ))
 ASSI {  501}
   (( segid "AAAA" and resid 24   and name HA  ))
   (( segid "AAAA" and resid 23   and name HA  ))
      4.300     2.300     1.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.35100E-04 ppm1      3.655 ppm2      3.914 CV     1
 OR {  501}
   (( segid "AAAA" and resid 24   and name HA  ))
   (( segid "AAAA" and resid 26   and name HA  ))
 OR {  501}
   (( segid "BBBB" and resid 24   and name HA  ))
   (( segid "BBBB" and resid 26   and name HA  ))
 ASSI {  502}
   (( segid "AAAA" and resid 10   and name HA  ))
   (( segid "AAAA" and resid 11   and name HA  ))
      3.200     1.300     1.300 peak   502 spectrum    1 weight  0.10000E+01 volume  0.24259E-03 ppm1      3.737 ppm2      4.118 CV     1
 OR {  502}
   (( segid "BBBB" and resid 10   and name HA  ))
   (( segid "AAAA" and resid 86   and name HA  ))
 OR {  502}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 76   and name HA  ))
 OR {  502}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 76   and name HA  ))
 ASSI {  504}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (( segid "AAAA" and resid 26   and name HD2 ))
      2.900     2.900     3.100 peak   504 spectrum    1 weight  0.10000E+01 volume  0.58759E-03 ppm1      2.729 ppm2      3.247 CV     1
 OR {  504}
   (( segid "BBBB" and resid 23   and name HB2 ))
   (( segid "BBBB" and resid 26   and name HD2 ))
 ASSI {  506}
   (( segid "AAAA" and resid 13   and name HB  ))
   (( segid "AAAA" and resid 13   and name HA  ))
      3.100     1.200     1.200 peak   506 spectrum    1 weight  0.10000E+01 volume  0.21534E-03 ppm1      1.967 ppm2      3.457 CV     1
 ASSI {  511}
   (( segid "BBBB" and resid 14   and name HG2 ))
   (( segid "BBBB" and resid 10   and name HA  ))
      1.600     1.600     4.400 peak   511 spectrum    1 weight  0.10000E+01 volume  0.60525E-03 ppm1      2.436 ppm2      3.732 CV     1
 OR {  511}
   (( segid "AAAA" and resid 14   and name HG2 ))
   (( segid "AAAA" and resid 10   and name HA  ))
 OR {  511}
   (( segid "AAAA" and resid 44   and name HG2 ))
   (( segid "AAAA" and resid 54   and name HA2 ))
 ASSI {  512}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 79   and name HN  ))
      3.100     1.200     1.200 peak   512 spectrum    1 weight  0.10000E+01 volume  0.42270E-03 ppm1      3.760 ppm2      6.868 CV     1
 OR {  512}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 79   and name HN  ))
 OR {  512}
   (( segid "AAAA" and resid 77   and name HA  ))
   (  segid "AAAA" and resid 76   and name HD% )
 ASSI {  515}
   (( segid "AAAA" and resid 44   and name HB2 ))
   (( segid "AAAA" and resid 44   and name HN  ))
      2.600     0.800     0.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.64695E-03 ppm1      2.342 ppm2      8.413 CV     1
 ASSI {  516}
   (( segid "AAAA" and resid 70   and name HB2 ))
   (( segid "AAAA" and resid 34   and name HN  ))
      2.600     2.600     3.400 peak   516 spectrum    1 weight  0.10000E+01 volume  0.56158E-03 ppm1      1.721 ppm2      8.501 CV     1
 OR {  516}
   (( segid "BBBB" and resid 70   and name HB2 ))
   (( segid "BBBB" and resid 34   and name HN  ))
 ASSI {  521}
   (( segid "BBBB" and resid 59   and name HD2 ))
   (( segid "BBBB" and resid 54   and name HA1 ))
      2.800     1.000     1.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.29029E-03 ppm1      3.127 ppm2      3.966 CV     1
 OR {  521}
   (( segid "BBBB" and resid 68   and name HB2 ))
   (( segid "BBBB" and resid 78   and name HA  ))
 ASSI {  525}
   (( segid "BBBB" and resid 59   and name HD2 ))
   (( segid "BBBB" and resid 54   and name HA2 ))
      2.800     1.000     1.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.38285E-03 ppm1      3.069 ppm2      3.750 CV     1
 ASSI {  527}
   (( segid "AAAA" and resid 34   and name HB2 ))
   (( segid "AAAA" and resid 34   and name HA  ))
      3.000     1.200     1.200 peak   527 spectrum    1 weight  0.10000E+01 volume  0.45308E-03 ppm1      3.467 ppm2      4.926 CV     1
 OR {  527}
   (( segid "BBBB" and resid 34   and name HB2 ))
   (( segid "BBBB" and resid 34   and name HA  ))
 ASSI {  529}
   (( segid "AAAA" and resid 79   and name HG  ))
   (( segid "AAAA" and resid 70   and name HA  ))
      3.100     3.100     2.900 peak   529 spectrum    1 weight  0.10000E+01 volume  0.29465E-03 ppm1      1.522 ppm2      4.978 CV     1
 OR {  529}
   (( segid "BBBB" and resid 33   and name HG  ))
   (( segid "BBBB" and resid 70   and name HA  ))
 OR {  529}
   (( segid "AAAA" and resid 33   and name HG  ))
   (( segid "AAAA" and resid 70   and name HA  ))
 ASSI {  530}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "BBBB" and resid 6    and name HA  ))
      3.200     3.200     2.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.34101E-03 ppm1      3.057 ppm2      4.382 CV     1
 OR {  530}
   (( segid "BBBB" and resid 85   and name HE2 ))
   (( segid "AAAA" and resid 6    and name HA  ))
 ASSI {  531}
   (( segid "AAAA" and resid 43   and name HG1 ))
   (( segid "AAAA" and resid 40   and name HB2 ))
      5.500     3.700     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.28891E-03 ppm1      1.088 ppm2      2.018 CV     1
 OR {  531}
   (( segid "BBBB" and resid 43   and name HG1 ))
   (( segid "BBBB" and resid 40   and name HB2 ))
 ASSI {  534}
   (( segid "AAAA" and resid 39   and name HB2 ))
   (( segid "AAAA" and resid 39   and name HN  ))
      2.600     0.900     0.900 peak   534 spectrum    1 weight  0.10000E+01 volume  0.55526E-03 ppm1      1.967 ppm2      8.407 CV     1
 ASSI {  535}
   (( segid "AAAA" and resid 42   and name HA  ))
   (( segid "AAAA" and resid 59   and name HA  ))
      2.200     2.200     3.800 peak   535 spectrum    1 weight  0.10000E+01 volume  0.71732E-03 ppm1      3.467 ppm2      4.165 CV     1
 OR {  535}
   (( segid "BBBB" and resid 42   and name HA  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 ASSI {  536}
   (( segid "BBBB" and resid 21   and name HB2 ))
   (  segid "BBBB" and resid 21   and name HE% )
      2.800     1.000     1.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.37711E-03 ppm1      2.143 ppm2      7.102 CV     1
 ASSI {  537}
   (( segid "AAAA" and resid 51   and name HE2 ))
   (( segid "AAAA" and resid 48   and name HB2 ))
      2.600     0.800     0.800 peak   537 spectrum    1 weight  0.10000E+01 volume  0.69864E-04 ppm1      3.115 ppm2      3.311 CV     1
 OR {  537}
   (( segid "BBBB" and resid 51   and name HE2 ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 ASSI {  540}
   (( segid "AAAA" and resid 85   and name HA  ))
   (  segid "BBBB" and resid 5    and name HG2%)
      2.000     2.000     4.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.51312E-02 ppm1      3.573 ppm2      1.146 CV     1
 OR {  540}
   (( segid "BBBB" and resid 85   and name HA  ))
   (  segid "AAAA" and resid 5    and name HG2%)
 ASSI {  542}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 40   and name HG2 ))
      1.700     1.700     4.300 peak   542 spectrum    1 weight  0.10000E+01 volume  0.80720E-02 ppm1      2.576 ppm2      2.486 CV     1
 ASSI {  544}
   (( segid "AAAA" and resid 29   and name HA  ))
   (( segid "AAAA" and resid 28   and name HA1 ))
      2.300     0.700     0.700 peak   544 spectrum    1 weight  0.10000E+01 volume  0.19192E-02 ppm1      3.901 ppm2      3.785 CV     1
 OR {  544}
   (( segid "BBBB" and resid 29   and name HA  ))
   (( segid "BBBB" and resid 28   and name HA1 ))
 OR {  544}
   (( segid "BBBB" and resid 83   and name HA  ))
   (( segid "BBBB" and resid 82   and name HA  ))
 OR {  544}
   (( segid "AAAA" and resid 29   and name HA  ))
   (( segid "AAAA" and resid 28   and name HA2 ))
 OR {  544}
   (( segid "BBBB" and resid 29   and name HA  ))
   (( segid "BBBB" and resid 28   and name HA2 ))
 OR {  544}
   (( segid "BBBB" and resid 31   and name HA1 ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  544}
   (( segid "AAAA" and resid 31   and name HA1 ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 OR {  544}
   (( segid "AAAA" and resid 18   and name HB2 ))
   (( segid "AAAA" and resid 16   and name HA  ))
 OR {  544}
   (( segid "BBBB" and resid 18   and name HB2 ))
   (( segid "BBBB" and resid 16   and name HA  ))
 OR {  544}
   (( segid "BBBB" and resid 40   and name HA  ))
   (( segid "BBBB" and resid 43   and name HA  ))
 OR {  544}
   (( segid "AAAA" and resid 92   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  544}
   (( segid "BBBB" and resid 31   and name HA2 ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  544}
   (( segid "BBBB" and resid 29   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA2 ))
 ASSI {  547}
   (( segid "BBBB" and resid 46   and name HG  ))
   (  segid "BBBB" and resid 43   and name HG2%)
      1.000     1.000     5.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.74585E-02 ppm1      1.416 ppm2      1.292 CV     1
 OR {  547}
   (( segid "AAAA" and resid 46   and name HG  ))
   (  segid "AAAA" and resid 43   and name HG2%)
 ASSI {  548}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 40   and name HG2 ))
      1.800     1.800     4.200 peak   548 spectrum    1 weight  0.10000E+01 volume  0.48956E-02 ppm1      2.530 ppm2      2.433 CV     1
 ASSI {  550}
   (( segid "BBBB" and resid 97   and name HB2 ))
   (  segid "BBBB" and resid 95   and name HG2%)
      1.100     1.100     4.900 peak   550 spectrum    1 weight  0.10000E+01 volume  0.11455E-01 ppm1      1.697 ppm2      0.830 CV     1
 OR {  550}
   (( segid "BBBB" and resid 98   and name HB2 ))
   (  segid "BBBB" and resid 95   and name HG2%)
 OR {  550}
   (( segid "AAAA" and resid 98   and name HB2 ))
   (  segid "AAAA" and resid 95   and name HG2%)
 ASSI {  552}
   (( segid "AAAA" and resid 67   and name HG2 ))
   (( segid "AAAA" and resid 67   and name HB2 ))
      1.500     0.300     0.700 peak   552 spectrum    1 weight  0.10000E+01 volume  0.67626E-02 ppm1      2.319 ppm2      2.158 CV     1
 ASSI {  553}
   (  segid "AAAA" and resid 5    and name HG2%)
   (( segid "BBBB" and resid 89   and name HG2 ))
      1.700     1.700     4.300 peak   553 spectrum    1 weight  0.10000E+01 volume  0.51576E-02 ppm1      1.194 ppm2      1.006 CV     1
 ASSI {  557}
   (( segid "BBBB" and resid 6    and name HB2 ))
   (( segid "BBBB" and resid 6    and name HG  ))
      1.700     0.300     0.500 peak   557 spectrum    1 weight  0.10000E+01 volume  0.85014E-02 ppm1      1.697 ppm2      1.462 CV     1
 OR {  557}
   (( segid "AAAA" and resid 46   and name HB2 ))
   (( segid "AAAA" and resid 46   and name HG  ))
 OR {  557}
   (( segid "AAAA" and resid 9    and name HB2 ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  557}
   (( segid "BBBB" and resid 9    and name HB2 ))
   (( segid "BBBB" and resid 6    and name HG  ))
 ASSI {  559}
   (( segid "BBBB" and resid 44   and name HA  ))
   (  segid "AAAA" and resid 7    and name HG2%)
      0.900     0.900     5.100 peak   559 spectrum    1 weight  0.10000E+01 volume  0.50096E-02 ppm1      4.229 ppm2      1.357 CV     1
 OR {  559}
   (( segid "AAAA" and resid 4    and name HA  ))
   (( segid "BBBB" and resid 51   and name HG2 ))
 ASSI {  560}
   (( segid "BBBB" and resid 53   and name HA  ))
   (( segid "BBBB" and resid 51   and name HG2 ))
      1.700     1.700     4.300 peak   560 spectrum    1 weight  0.10000E+01 volume  0.50780E-02 ppm1      3.877 ppm2      1.380 CV     1
 OR {  560}
   (( segid "AAAA" and resid 53   and name HA  ))
   (( segid "AAAA" and resid 51   and name HG2 ))
 
 ASSI {  561}
   (( segid "AAAA" and resid 22   and name HA  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
      1.900     1.900     4.100 peak   561 spectrum    1 weight  0.10000E+01 volume  0.54962E-02 ppm1      4.158 ppm2      0.818 CV     1
 OR {  561}
   (( segid "BBBB" and resid 22   and name HA  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
 ASSI {  563}
   (( segid "BBBB" and resid 95   and name HA  ))
   (  segid "BBBB" and resid 95   and name HG2%)
      2.000     2.000     4.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.55042E-02 ppm1      3.994 ppm2      0.871 CV     1
 OR {  563}
   (( segid "AAAA" and resid 95   and name HA  ))
   (  segid "AAAA" and resid 95   and name HG2%)
 ASSI {  564}
   (( segid "AAAA" and resid 5    and name HA  ))
   (  segid "AAAA" and resid 5    and name HG2%)
      2.100     0.500     0.500 peak   564 spectrum    1 weight  0.10000E+01 volume  0.60356E-02 ppm1      4.088 ppm2      1.193 CV     1
 OR {  564}
   (( segid "BBBB" and resid 5    and name HA  ))
   (  segid "BBBB" and resid 5    and name HG2%)
 OR {  564}
   (( segid "BBBB" and resid 86   and name HA  ))
   (  segid "AAAA" and resid 5    and name HG2%)
 ASSI {  566}
   (( segid "AAAA" and resid 22   and name HB  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
      1.700     0.400     0.500 peak   566 spectrum    1 weight  0.10000E+01 volume  0.52634E-02 ppm1      4.311 ppm2      0.824 CV     1
 ASSI {  567}
   (( segid "BBBB" and resid 16   and name HA  ))
   (( segid "BBBB" and resid 19   and name HG1 ))
      1.400     0.300     0.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.49359E-02 ppm1      3.819 ppm2      1.210 CV     1
 ASSI {  568}
   (( segid "AAAA" and resid 38   and name HA  ))
   (( segid "AAAA" and resid 37   and name HA  ))
      2.500     2.500     3.500 peak   568 spectrum    1 weight  0.10000E+01 volume  0.10031E-02 ppm1      4.147 ppm2      4.031 CV     1
 OR {  568}
   (( segid "BBBB" and resid 38   and name HA  ))
   (( segid "BBBB" and resid 37   and name HA  ))
 OR {  568}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "AAAA" and resid 58   and name HA  ))
 ASSI {  569}
   (( segid "BBBB" and resid 90   and name HG2 ))
   (( segid "BBBB" and resid 89   and name HG2 ))
      1.700     0.400     0.500 peak   569 spectrum    1 weight  0.10000E+01 volume  0.81906E-02 ppm1      2.248 ppm2      1.041 CV     1
 ASSI {  571}
   (( segid "BBBB" and resid 61   and name HG2 ))
   (( segid "BBBB" and resid 62   and name HG1 ))
      1.900     1.900     4.100 peak   571 spectrum    1 weight  0.10000E+01 volume  0.51500E-02 ppm1      1.440 ppm2      1.251 CV     1
 OR {  571}
   (( segid "BBBB" and resid 46   and name HG  ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 ASSI {  572}
   (( segid "BBBB" and resid 14   and name HA  ))
   (( segid "BBBB" and resid 17   and name HB  ))
      1.700     1.700     4.300 peak   572 spectrum    1 weight  0.10000E+01 volume  0.57237E-02 ppm1      3.901 ppm2      2.252 CV     1
 OR {  572}
   (( segid "AAAA" and resid 14   and name HA  ))
   (( segid "AAAA" and resid 17   and name HB  ))
 OR {  572}
   (( segid "BBBB" and resid 31   and name HA2 ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 OR {  572}
   (( segid "BBBB" and resid 31   and name HA1 ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 ASSI {  573}
   (( segid "BBBB" and resid 4    and name HA  ))
   (( segid "AAAA" and resid 62   and name HG1 ))
      1.000     1.000     5.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.46096E-02 ppm1      4.217 ppm2      1.257 CV     1
 OR {  573}
   (( segid "AAAA" and resid 63   and name HA  ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 OR {  573}
   (( segid "BBBB" and resid 63   and name HA  ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 ASSI {  579}
   (( segid "BBBB" and resid 39   and name HG2 ))
   (( segid "BBBB" and resid 41   and name HG  ))
      1.700     1.700     4.300 peak   579 spectrum    1 weight  0.10000E+01 volume  0.63797E-02 ppm1      1.287 ppm2      0.970 CV     1
 ASSI {  580}
   (( segid "AAAA" and resid 22   and name HA  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
      2.000     2.000     4.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.39934E-02 ppm1      3.830 ppm2      0.830 CV     1
 ASSI {  582}
   (( segid "BBBB" and resid 69   and name HB2 ))
   (( segid "BBBB" and resid 82   and name HG2 ))
      1.900     1.900     4.100 peak   582 spectrum    1 weight  0.10000E+01 volume  0.58832E-02 ppm1      3.994 ppm2      2.334 CV     1
 OR {  582}
   (( segid "AAAA" and resid 69   and name HB2 ))
   (( segid "AAAA" and resid 82   and name HG2 ))
 OR {  582}
   (( segid "AAAA" and resid 69   and name HB2 ))
   (( segid "AAAA" and resid 37   and name HG2 ))
 OR {  582}
   (( segid "AAAA" and resid 39   and name HA  ))
   (( segid "AAAA" and resid 37   and name HG2 ))
 OR {  582}
   (( segid "BBBB" and resid 39   and name HA  ))
   (( segid "BBBB" and resid 37   and name HG2 ))
 ASSI {  583}
   (( segid "AAAA" and resid 39   and name HA  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      2.000     0.500     0.500 peak   583 spectrum    1 weight  0.10000E+01 volume  0.38134E-02 ppm1      3.983 ppm2      1.263 CV     1
 OR {  583}
   (( segid "BBBB" and resid 39   and name HA  ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 OR {  583}
   (( segid "BBBB" and resid 62   and name HB  ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 ASSI {  584}
   (  segid "BBBB" and resid 23   and name HE% )
   (  segid "BBBB" and resid 38   and name HD% )
      2.200     0.600     0.600 peak   584 spectrum    1 weight  0.10000E+01 volume  0.28484E-02 ppm1      7.100 ppm2      7.003 CV     1
 OR {  584}
   (  segid "AAAA" and resid 23   and name HE% )
   (  segid "AAAA" and resid 38   and name HD% )
 ASSI {  585}
   (( segid "BBBB" and resid 22   and name HA  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
      1.900     1.900     4.100 peak   585 spectrum    1 weight  0.10000E+01 volume  0.33963E-02 ppm1      4.100 ppm2      0.853 CV     1
 OR {  585}
   (( segid "AAAA" and resid 22   and name HA  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 ASSI {  586}
   (( segid "AAAA" and resid 8    and name HA  ))
   (( segid "AAAA" and resid 9    and name HG  ))
      1.700     1.700     4.300 peak   586 spectrum    1 weight  0.10000E+01 volume  0.53710E-02 ppm1      4.123 ppm2      1.491 CV     1
 OR {  586}
   (( segid "BBBB" and resid 8    and name HA  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 ASSI {  589}
   (  segid "AAAA" and resid 20   and name HE% )
   (  segid "AAAA" and resid 20   and name HD% )
      1.600     0.300     0.600 peak   589 spectrum    1 weight  0.10000E+01 volume  0.29240E-02 ppm1      7.100 ppm2      6.582 CV     1
 ASSI {  590}
   (( segid "BBBB" and resid 56   and name HA  ))
   (( segid "BBBB" and resid 59   and name HG2 ))
      2.400     2.400     3.600 peak   590 spectrum    1 weight  0.10000E+01 volume  0.16113E-02 ppm1      3.315 ppm2      1.216 CV     1
 OR {  590}
   (( segid "AAAA" and resid 56   and name HA  ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 ASSI {  591}
   (( segid "AAAA" and resid 63   and name HA  ))
   (( segid "AAAA" and resid 63   and name HG  ))
      2.100     2.100     3.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.33565E-02 ppm1      4.194 ppm2      1.181 CV     1
 OR {  591}
   (( segid "AAAA" and resid 9    and name HA  ))
   (  segid "AAAA" and resid 5    and name HG2%)
 ASSI {  593}
   (( segid "BBBB" and resid 97   and name HA  ))
   (  segid "BBBB" and resid 95   and name HG2%)
      1.000     1.000     5.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.30294E-02 ppm1      4.217 ppm2      0.830 CV     1
 ASSI {  597}
   (  segid "AAAA" and resid 23   and name HE% )
   (  segid "AAAA" and resid 76   and name HE% )
      6.000     4.200     2.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.22585E-02 ppm1      7.100 ppm2      6.704 CV     1
 OR {  597}
   (  segid "BBBB" and resid 23   and name HE% )
   (  segid "BBBB" and resid 76   and name HE% )
 ASSI {  599}
   (( segid "AAAA" and resid 88   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HG2 ))
      1.800     1.800     4.200 peak   599 spectrum    1 weight  0.10000E+01 volume  0.48090E-02 ppm1      1.498 ppm2      0.982 CV     1
 OR {  599}
   (( segid "AAAA" and resid 6    and name HG  ))
   (( segid "BBBB" and resid 89   and name HG2 ))
 ASSI {  606}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 44   and name HB2 ))
      1.000     1.000     5.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.14425E-02 ppm1      2.506 ppm2      2.310 CV     1
 OR {  606}
   (( segid "AAAA" and resid 40   and name HG2 ))
   (( segid "AAAA" and resid 44   and name HB2 ))
 OR {  606}
   (( segid "BBBB" and resid 40   and name HG2 ))
   (( segid "BBBB" and resid 44   and name HB2 ))
 OR {  606}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 45   and name HG2 ))
 OR {  606}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 45   and name HG2 ))
 OR {  606}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 58   and name HG2 ))
 OR {  606}
   (( segid "AAAA" and resid 40   and name HG2 ))
   (( segid "AAAA" and resid 45   and name HG2 ))
 OR {  606}
   (( segid "AAAA" and resid 1    and name HG2 ))
   (( segid "BBBB" and resid 58   and name HG2 ))
 ASSI {  608}
   (  segid "BBBB" and resid 7    and name HG2%)
   (( segid "AAAA" and resid 41   and name HG  ))
      2.200     2.200     3.800 peak   608 spectrum    1 weight  0.10000E+01 volume  0.27864E-02 ppm1      1.369 ppm2      0.988 CV     1
 OR {  608}
   (  segid "AAAA" and resid 7    and name HG2%)
   (( segid "BBBB" and resid 41   and name HG  ))
 ASSI {  609}
   (( segid "AAAA" and resid 78   and name HA  ))
   (  segid "AAAA" and resid 80   and name HG2%)
      2.100     2.100     3.900 peak   609 spectrum    1 weight  0.10000E+01 volume  0.22073E-02 ppm1      4.006 ppm2      0.754 CV     1
 ASSI {  610}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
      1.900     0.500     0.500 peak   610 spectrum    1 weight  0.10000E+01 volume  0.37739E-02 ppm1      4.100 ppm2      2.328 CV     1
 OR {  610}
   (( segid "AAAA" and resid 37   and name HA  ))
   (( segid "AAAA" and resid 37   and name HG2 ))
 ASSI {  611}
   (( segid "AAAA" and resid 78   and name HD2 ))
   (( segid "AAAA" and resid 68   and name HB2 ))
      2.600     0.800     0.800 peak   611 spectrum    1 weight  0.10000E+01 volume  0.68337E-03 ppm1      3.209 ppm2      3.100 CV     1
 OR {  611}
   (( segid "BBBB" and resid 78   and name HD2 ))
   (( segid "BBBB" and resid 68   and name HB2 ))
 ASSI {  612}
   (( segid "BBBB" and resid 1    and name HB2 ))
   (( segid "AAAA" and resid 41   and name HG  ))
      1.800     1.800     4.200 peak   612 spectrum    1 weight  0.10000E+01 volume  0.17820E-02 ppm1      2.002 ppm2      0.982 CV     1
 OR {  612}
   (( segid "AAAA" and resid 1    and name HB2 ))
   (( segid "BBBB" and resid 41   and name HG  ))
 OR {  612}
   (( segid "BBBB" and resid 58   and name HB2 ))
   (( segid "BBBB" and resid 41   and name HG  ))
 OR {  612}
   (( segid "AAAA" and resid 58   and name HB2 ))
   (( segid "AAAA" and resid 41   and name HG  ))
 ASSI {  614}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 86   and name HN  ))
      2.200     2.200     3.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.19693E-02 ppm1      7.604 ppm2      7.278 CV     1
 OR {  614}
   (( segid "AAAA" and resid 77   and name HE3 ))
   (( segid "AAAA" and resid 78   and name HN  ))
 OR {  614}
   (( segid "BBBB" and resid 77   and name HE3 ))
   (( segid "BBBB" and resid 77   and name HD1 ))
 OR {  614}
   (( segid "AAAA" and resid 77   and name HE3 ))
   (( segid "AAAA" and resid 77   and name HD1 ))
 ASSI {  615}
   (( segid "BBBB" and resid 15   and name HA  ))
   (( segid "BBBB" and resid 16   and name HA  ))
      1.800     1.800     4.200 peak   615 spectrum    1 weight  0.10000E+01 volume  0.12763E-02 ppm1      4.100 ppm2      3.808 CV     1
 OR {  615}
   (( segid "AAAA" and resid 17   and name HA  ))
   (( segid "AAAA" and resid 16   and name HA  ))
 OR {  615}
   (( segid "AAAA" and resid 93   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA2 ))
 OR {  615}
   (( segid "BBBB" and resid 76   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 OR {  615}
   (( segid "AAAA" and resid 76   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
 OR {  615}
   (( segid "AAAA" and resid 93   and name HA  ))
   (( segid "AAAA" and resid 94   and name HA1 ))
 ASSI {  620}
   (( segid "BBBB" and resid 2    and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
      2.200     2.200     3.800 peak   620 spectrum    1 weight  0.10000E+01 volume  0.28103E-02 ppm1      8.213 ppm2      1.134 CV     1
 OR {  620}
   (( segid "AAAA" and resid 2    and name HN  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
 ASSI {  622}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      2.300     2.300     3.700 peak   622 spectrum    1 weight  0.10000E+01 volume  0.20544E-02 ppm1      1.873 ppm2      1.304 CV     1
 OR {  622}
   (( segid "BBBB" and resid 59   and name HB2 ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 ASSI {  624}
   (  segid "BBBB" and resid 23   and name HE% )
   (( segid "BBBB" and resid 38   and name HA  ))
      2.200     0.600     0.600 peak   624 spectrum    1 weight  0.10000E+01 volume  0.25173E-02 ppm1      7.100 ppm2      4.171 CV     1
 OR {  624}
   (  segid "AAAA" and resid 23   and name HE% )
   (( segid "AAAA" and resid 38   and name HA  ))
 ASSI {  625}
   (( segid "BBBB" and resid 69   and name HB2 ))
   (( segid "BBBB" and resid 66   and name HB2 ))
      1.400     0.300     0.800 peak   625 spectrum    1 weight  0.10000E+01 volume  0.18777E-02 ppm1      3.971 ppm2      3.252 CV     1
 OR {  625}
   (( segid "AAAA" and resid 69   and name HB2 ))
   (( segid "AAAA" and resid 66   and name HB2 ))
 OR {  625}
   (( segid "BBBB" and resid 23   and name HA  ))
   (( segid "BBBB" and resid 26   and name HD2 ))
 OR {  625}
   (( segid "AAAA" and resid 79   and name HA  ))
   (( segid "AAAA" and resid 80   and name HA  ))
 OR {  625}
   (( segid "AAAA" and resid 62   and name HB  ))
   (( segid "AAAA" and resid 66   and name HB2 ))
 ASSI {  627}
   (( segid "BBBB" and resid 90   and name HB2 ))
   (( segid "BBBB" and resid 89   and name HG2 ))
      2.000     2.000     4.000 peak   627 spectrum    1 weight  0.10000E+01 volume  0.26860E-02 ppm1      2.072 ppm2      1.006 CV     1
 ASSI {  628}
   (( segid "AAAA" and resid 74   and name HA  ))
   (( segid "BBBB" and resid 94   and name HA1 ))
      2.500     0.800     0.800 peak   628 spectrum    1 weight  0.10000E+01 volume  0.15710E-02 ppm1      4.030 ppm2      3.779 CV     1
 ASSI {  630}
   (( segid "AAAA" and resid 37   and name HB2 ))
   (( segid "AAAA" and resid 22   and name HG1 ))
      2.300     2.300     3.700 peak   630 spectrum    1 weight  0.10000E+01 volume  0.21305E-02 ppm1      2.096 ppm2      0.842 CV     1
 OR {  630}
   (( segid "BBBB" and resid 37   and name HB2 ))
   (( segid "BBBB" and resid 22   and name HG1 ))
 ASSI {  631}
   (( segid "AAAA" and resid 85   and name HA  ))
   (  segid "AAAA" and resid 84   and name HB%)
      2.100     2.100     3.900 peak   631 spectrum    1 weight  0.10000E+01 volume  0.22023E-02 ppm1      3.549 ppm2      0.994 CV     1
 ASSI {  632}
   (( segid "AAAA" and resid 69   and name HA  ))
   (( segid "AAAA" and resid 78   and name HG2 ))
      2.000     2.000     4.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.25802E-02 ppm1      4.311 ppm2      1.550 CV     1
 OR {  632}
   (( segid "AAAA" and resid 69   and name HA  ))
   (( segid "AAAA" and resid 33   and name HG  ))
 ASSI {  634}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (( segid "AAAA" and resid 40   and name HG2 ))
      2.000     2.000     4.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.26026E-02 ppm1      2.776 ppm2      2.492 CV     1
 ASSI {  636}
   (( segid "AAAA" and resid 41   and name HB2 ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      5.100     3.100     1.100 peak   636 spectrum    1 weight  0.10000E+01 volume  0.15727E-02 ppm1      1.627 ppm2      1.310 CV     1
 OR {  636}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 ASSI {  637}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 92   and name HA  ))
      1.900     0.400     0.400 peak   637 spectrum    1 weight  0.10000E+01 volume  0.18035E-02 ppm1      7.604 ppm2      3.861 CV     1
 OR {  637}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 92   and name HA  ))
 ASSI {  638}
   (( segid "AAAA" and resid 12   and name HA  ))
   (( segid "AAAA" and resid 11   and name HA  ))
      2.200     2.200     3.800 peak   638 spectrum    1 weight  0.10000E+01 volume  0.14343E-02 ppm1      4.358 ppm2      4.159 CV     1
 OR {  638}
   (( segid "BBBB" and resid 12   and name HA  ))
   (( segid "BBBB" and resid 11   and name HA  ))
 OR {  638}
   (( segid "AAAA" and resid 12   and name HA  ))
   (( segid "AAAA" and resid 9    and name HA  ))
 OR {  638}
   (( segid "BBBB" and resid 12   and name HA  ))
   (( segid "BBBB" and resid 9    and name HA  ))
 OR {  638}
   (( segid "BBBB" and resid 12   and name HA  ))
   (( segid "BBBB" and resid 15   and name HA  ))
 OR {  638}
   (( segid "AAAA" and resid 1    and name HA  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  638}
   (( segid "BBBB" and resid 12   and name HA  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 OR {  638}
   (( segid "AAAA" and resid 12   and name HA  ))
   (( segid "AAAA" and resid 8    and name HA  ))
 OR {  638}
   (( segid "AAAA" and resid 6    and name HA  ))
   (( segid "AAAA" and resid 9    and name HA  ))
 OR {  638}
   (( segid "BBBB" and resid 1    and name HA  ))
   (( segid "AAAA" and resid 38   and name HA  ))
 ASSI {  641}
   (  segid "AAAA" and resid 23   and name HD% )
   (  segid "AAAA" and resid 21   and name HD% )
      2.400     2.400     3.600 peak   641 spectrum    1 weight  0.10000E+01 volume  0.19373E-02 ppm1      6.842 ppm2      6.716 CV     1
 OR {  641}
   (  segid "BBBB" and resid 23   and name HD% )
   (  segid "BBBB" and resid 21   and name HD% )
 ASSI {  643}
   (( segid "BBBB" and resid 41   and name HA  ))
   (( segid "BBBB" and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.52847E-03 ppm1      4.299 ppm2      4.165 CV     1
 OR {  643}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 38   and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 3    and name HA  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  643}
   (( segid "BBBB" and resid 19   and name HA  ))
   (( segid "BBBB" and resid 17   and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 19   and name HA  ))
   (( segid "AAAA" and resid 17   and name HA  ))
 OR {  643}
   (( segid "BBBB" and resid 57   and name HA  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 57   and name HA  ))
   (( segid "AAAA" and resid 59   and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 3    and name HA  ))
   (( segid "BBBB" and resid 38   and name HA  ))
 OR {  643}
   (( segid "BBBB" and resid 3    and name HA  ))
   (( segid "AAAA" and resid 38   and name HA  ))
 OR {  643}
   (( segid "BBBB" and resid 3    and name HA  ))
   (( segid "AAAA" and resid 62   and name HA  ))
 OR {  643}
   (( segid "AAAA" and resid 19   and name HA  ))
   (( segid "AAAA" and resid 15   and name HA  ))
 OR {  643}
   (( segid "BBBB" and resid 19   and name HA  ))
   (( segid "BBBB" and resid 15   and name HA  ))
 ASSI {  644}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 62   and name HB  ))
      2.100     0.600     0.600 peak   644 spectrum    1 weight  0.10000E+01 volume  0.17885E-02 ppm1      7.545 ppm2      3.978 CV     1
 OR {  644}
   (( segid "AAAA" and resid 93   and name HN  ))
   (( segid "AAAA" and resid 90   and name HA  ))
 ASSI {  645}
   (( segid "AAAA" and resid 46   and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
      1.400     1.400     4.600 peak   645 spectrum    1 weight  0.10000E+01 volume  0.21461E-02 ppm1      7.287 ppm2      1.374 CV     1
 OR {  645}
   (( segid "BBBB" and resid 46   and name HN  ))
   (  segid "AAAA" and resid 7    and name HG2%)
 OR {  645}
   (( segid "BBBB" and resid 86   and name HN  ))
   (  segid "AAAA" and resid 7    and name HG2%)
 OR {  645}
   (( segid "AAAA" and resid 21   and name HN  ))
   (  segid "BBBB" and resid 7    and name HG2%)
 ASSI {  648}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
      2.100     2.100     3.900 peak   648 spectrum    1 weight  0.10000E+01 volume  0.17784E-02 ppm1      1.604 ppm2      1.222 CV     1
 OR {  648}
   (( segid "BBBB" and resid 41   and name HB2 ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 ASSI {  652}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 78   and name HN  ))
      2.300     2.300     3.700 peak   652 spectrum    1 weight  0.10000E+01 volume  0.14168E-02 ppm1      7.534 ppm2      7.249 CV     1
 OR {  652}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 78   and name HN  ))
 OR {  652}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 77   and name HH2 ))
 OR {  652}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 77   and name HH2 ))
 OR {  652}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 77   and name HD1 ))
 OR {  652}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 77   and name HD1 ))
 OR {  652}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 77   and name HH2 ))
 OR {  652}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 77   and name HH2 ))
 ASSI {  653}
   (( segid "AAAA" and resid 39   and name HD2 ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      2.100     0.600     0.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.12105E-02 ppm1      1.697 ppm2      1.310 CV     1
 ASSI {  654}
   (( segid "BBBB" and resid 4    and name HB2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
      2.200     2.200     3.800 peak   654 spectrum    1 weight  0.10000E+01 volume  0.16155E-02 ppm1      1.779 ppm2      1.234 CV     1
 OR {  654}
   (( segid "BBBB" and resid 4    and name HB2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR {  654}
   (( segid "AAAA" and resid 51   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR {  654}
   (( segid "AAAA" and resid 51   and name HB2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 OR {  654}
   (( segid "BBBB" and resid 51   and name HB2 ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 ASSI {  655}
   (( segid "BBBB" and resid 29   and name HG2 ))
   (( segid "AAAA" and resid 97   and name HG2 ))
      2.200     2.200     3.800 peak   655 spectrum    1 weight  0.10000E+01 volume  0.17136E-02 ppm1      1.791 ppm2      1.286 CV     1
 OR {  655}
   (( segid "BBBB" and resid 95   and name HB  ))
   (( segid "BBBB" and resid 97   and name HG2 ))
 ASSI {  656}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
      2.700     2.700     3.300 peak   656 spectrum    1 weight  0.10000E+01 volume  0.97778E-03 ppm1      4.299 ppm2      1.111 CV     1
 OR {  656}
   (( segid "BBBB" and resid 41   and name HA  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
 ASSI {  657}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 80   and name HB  ))
      2.100     2.100     3.900 peak   657 spectrum    1 weight  0.10000E+01 volume  0.16008E-02 ppm1      6.854 ppm2      1.439 CV     1
 OR {  657}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 80   and name HB  ))
 OR {  657}
   (  segid "AAAA" and resid 76   and name HD% )
   (( segid "BBBB" and resid 93   and name HG  ))
 ASSI {  658}
   (( segid "BBBB" and resid 77   and name HH2 ))
   (( segid "BBBB" and resid 75   and name HB2 ))
      2.400     2.400     3.600 peak   658 spectrum    1 weight  0.10000E+01 volume  0.18996E-02 ppm1      7.241 ppm2      2.328 CV     1
 OR {  658}
   (( segid "AAAA" and resid 77   and name HH2 ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 OR {  658}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 OR {  658}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 ASSI {  659}
   (( segid "BBBB" and resid 74   and name HA  ))
   (( segid "BBBB" and resid 31   and name HA1 ))
      2.700     0.900     0.900 peak   659 spectrum    1 weight  0.10000E+01 volume  0.35123E-03 ppm1      4.053 ppm2      3.884 CV     1
 OR {  659}
   (( segid "BBBB" and resid 18   and name HA  ))
   (( segid "BBBB" and resid 18   and name HB1 ))
 ASSI {  661}
   (( segid "AAAA" and resid 83   and name HA  ))
   (( segid "AAAA" and resid 83   and name HG  ))
      1.700     0.400     0.500 peak   661 spectrum    1 weight  0.10000E+01 volume  0.19310E-02 ppm1      3.948 ppm2      1.485 CV     1
 OR {  661}
   (( segid "BBBB" and resid 83   and name HA  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 OR {  661}
   (( segid "BBBB" and resid 51   and name HA  ))
   (( segid "BBBB" and resid 50   and name HG  ))
 OR {  661}
   (( segid "AAAA" and resid 83   and name HA  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 OR {  661}
   (( segid "BBBB" and resid 83   and name HA  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 ASSI {  664}
   (( segid "AAAA" and resid 11   and name HA  ))
   (( segid "AAAA" and resid 14   and name HG2 ))
      2.300     0.700     0.700 peak   664 spectrum    1 weight  0.10000E+01 volume  0.12219E-02 ppm1      4.123 ppm2      2.439 CV     1
 OR {  664}
   (( segid "AAAA" and resid 38   and name HA  ))
   (( segid "AAAA" and resid 40   and name HG2 ))
 OR {  664}
   (( segid "BBBB" and resid 38   and name HA  ))
   (( segid "BBBB" and resid 40   and name HG2 ))
 OR {  664}
   (( segid "AAAA" and resid 15   and name HA  ))
   (( segid "AAAA" and resid 14   and name HG2 ))
 ASSI {  666}
   (( segid "AAAA" and resid 7    and name HA  ))
   (  segid "AAAA" and resid 5    and name HG2%)
      5.600     3.900     0.400 peak   666 spectrum    1 weight  0.10000E+01 volume  0.15207E-02 ppm1      4.487 ppm2      1.140 CV     1
 ASSI {  669}
   (( segid "BBBB" and resid 59   and name HA  ))
   (( segid "BBBB" and resid 57   and name HB2 ))
      2.500     2.500     3.500 peak   669 spectrum    1 weight  0.10000E+01 volume  0.13024E-02 ppm1      4.112 ppm2      2.533 CV     1
 OR {  669}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 OR {  669}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 ASSI {  676}
   (( segid "AAAA" and resid 5    and name HN  ))
   (  segid "AAAA" and resid 5    and name HG2%)
      2.400     2.400     3.600 peak   676 spectrum    1 weight  0.10000E+01 volume  0.22862E-02 ppm1      7.932 ppm2      1.169 CV     1
 OR {  676}
   (( segid "BBBB" and resid 5    and name HN  ))
   (  segid "BBBB" and resid 5    and name HG2%)
 OR {  676}
   (( segid "BBBB" and resid 87   and name HN  ))
   (  segid "AAAA" and resid 5    and name HG2%)
 ASSI {  678}
   (( segid "BBBB" and resid 75   and name HN  ))
   (  segid "BBBB" and resid 76   and name HD% )
      2.100     2.100     3.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.11341E-02 ppm1      7.077 ppm2      6.857 CV     1
 OR {  678}
   (( segid "AAAA" and resid 75   and name HN  ))
   (  segid "AAAA" and resid 76   and name HD% )
 OR {  678}
   (  segid "AAAA" and resid 21   and name HE% )
   (  segid "AAAA" and resid 23   and name HD% )
 ASSI {  680}
   (  segid "AAAA" and resid 38   and name HD% )
   (( segid "AAAA" and resid 38   and name HA  ))
      2.500     0.800     0.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.16322E-02 ppm1      7.018 ppm2      4.194 CV     1
 OR {  680}
   (  segid "BBBB" and resid 38   and name HD% )
   (( segid "BBBB" and resid 38   and name HA  ))
 ASSI {  682}
   (( segid "BBBB" and resid 82   and name HA  ))
   (( segid "BBBB" and resid 82   and name HB2 ))
      2.200     0.600     0.600 peak   682 spectrum    1 weight  0.10000E+01 volume  0.16890E-02 ppm1      3.842 ppm2      2.106 CV     1
 ASSI {  686}
   (( segid "BBBB" and resid 57   and name HA  ))
   (( segid "BBBB" and resid 60   and name HG2 ))
      2.200     2.200     3.800 peak   686 spectrum    1 weight  0.10000E+01 volume  0.13943E-02 ppm1      4.264 ppm2      2.205 CV     1
 OR {  686}
   (( segid "BBBB" and resid 41   and name HA  ))
   (( segid "BBBB" and resid 40   and name HB2 ))
 ASSI {  688}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 43   and name HB  ))
      2.600     0.800     0.800 peak   688 spectrum    1 weight  0.10000E+01 volume  0.46482E-03 ppm1      4.299 ppm2      4.036 CV     1
 OR {  688}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 88   and name HA  ))
 OR {  688}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 90   and name HA  ))
 ASSI {  689}
   (( segid "BBBB" and resid 38   and name HA  ))
   (( segid "BBBB" and resid 41   and name HG  ))
      2.100     0.600     0.600 peak   689 spectrum    1 weight  0.10000E+01 volume  0.19431E-02 ppm1      4.182 ppm2      0.994 CV     1
 ASSI {  690}
   (( segid "BBBB" and resid 61   and name HD2 ))
   (( segid "BBBB" and resid 62   and name HG1 ))
      2.600     2.600     3.400 peak   690 spectrum    1 weight  0.10000E+01 volume  0.98782E-03 ppm1      1.674 ppm2      1.216 CV     1
 OR {  690}
   (( segid "AAAA" and resid 61   and name HD2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 ASSI {  692}
   (( segid "AAAA" and resid 67   and name HA  ))
   (( segid "AAAA" and resid 67   and name HB2 ))
      2.100     0.600     0.600 peak   692 spectrum    1 weight  0.10000E+01 volume  0.19151E-02 ppm1      4.006 ppm2      2.152 CV     1
 ASSI {  693}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
      2.000     2.000     4.000 peak   693 spectrum    1 weight  0.10000E+01 volume  0.15007E-02 ppm1      7.545 ppm2      2.328 CV     1
 OR {  693}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
 OR {  693}
   (( segid "AAAA" and resid 70   and name HN  ))
   (( segid "AAAA" and resid 37   and name HG2 ))
 ASSI {  694}
   (  segid "AAAA" and resid 21   and name HE% )
   (( segid "AAAA" and resid 22   and name HG1 ))
      2.200     2.200     3.800 peak   694 spectrum    1 weight  0.10000E+01 volume  0.17381E-02 ppm1      7.100 ppm2      0.877 CV     1
 OR {  694}
   (( segid "BBBB" and resid 75   and name HN  ))
   (  segid "AAAA" and resid 95   and name HG2%)
 OR {  694}
   (( segid "AAAA" and resid 75   and name HN  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 OR {  694}
   (  segid "AAAA" and resid 73   and name HE% )
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  698}
   (( segid "BBBB" and resid 77   and name HZ3 ))
   (( segid "BBBB" and resid 76   and name HB2 ))
      2.400     2.400     3.600 peak   698 spectrum    1 weight  0.10000E+01 volume  0.12641E-02 ppm1      6.573 ppm2      2.819 CV     1
 OR {  698}
   (  segid "AAAA" and resid 73   and name HD% )
   (( segid "AAAA" and resid 76   and name HB2 ))
 ASSI {  700}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 40   and name HG2 ))
      1.300     1.300     4.700 peak   700 spectrum    1 weight  0.10000E+01 volume  0.17814E-02 ppm1      4.299 ppm2      2.509 CV     1
 OR {  700}
   (( segid "BBBB" and resid 41   and name HA  ))
   (( segid "BBBB" and resid 40   and name HG2 ))
 OR {  700}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 OR {  700}
   (( segid "BBBB" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 ASSI {  701}
   (( segid "AAAA" and resid 74   and name HA  ))
   (( segid "AAAA" and resid 74   and name HB2 ))
      2.300     2.300     3.700 peak   701 spectrum    1 weight  0.10000E+01 volume  0.68757E-03 ppm1      4.030 ppm2      3.697 CV     1
 OR {  701}
   (( segid "BBBB" and resid 74   and name HA  ))
   (( segid "BBBB" and resid 74   and name HB2 ))
 ASSI {  704}
   (( segid "AAAA" and resid 85   and name HA  ))
   (  segid "BBBB" and resid 5    and name HG2%)
      2.900     2.900     3.100 peak   704 spectrum    1 weight  0.10000E+01 volume  0.54836E-03 ppm1      3.537 ppm2      1.199 CV     1
 OR {  704}
   (( segid "BBBB" and resid 85   and name HA  ))
   (  segid "AAAA" and resid 5    and name HG2%)
 ASSI {  706}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   706 spectrum    1 weight  0.10000E+01 volume  0.11225E-02 ppm1      7.241 ppm2      3.990 CV     1
 OR {  706}
   (( segid "BBBB" and resid 77   and name HD1 ))
   (( segid "BBBB" and resid 78   and name HA  ))
 ASSI {  707}
   (( segid "BBBB" and resid 73   and name HB2 ))
   (( segid "AAAA" and resid 97   and name HG2 ))
      2.200     2.200     3.800 peak   707 spectrum    1 weight  0.10000E+01 volume  0.13060E-02 ppm1      3.010 ppm2      1.333 CV     1
 ASSI {  710}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 21   and name HA  ))
      2.300     0.600     0.600 peak   710 spectrum    1 weight  0.10000E+01 volume  0.13890E-02 ppm1      7.276 ppm2      3.867 CV     1
 ASSI {  714}
   (( segid "AAAA" and resid 2    and name HA  ))
   (( segid "BBBB" and resid 46   and name HG  ))
      2.300     0.600     0.600 peak   714 spectrum    1 weight  0.10000E+01 volume  0.15300E-02 ppm1      4.346 ppm2      1.474 CV     1
 OR {  714}
   (( segid "BBBB" and resid 6    and name HA  ))
   (( segid "BBBB" and resid 6    and name HG  ))
 OR {  714}
   (( segid "BBBB" and resid 2    and name HA  ))
   (( segid "AAAA" and resid 46   and name HG  ))
 ASSI {  716}
   (( segid "AAAA" and resid 61   and name HN  ))
   (( segid "AAAA" and resid 63   and name HG  ))
      2.700     2.700     3.300 peak   716 spectrum    1 weight  0.10000E+01 volume  0.82218E-03 ppm1      7.135 ppm2      1.146 CV     1
 OR {  716}
   (( segid "BBBB" and resid 61   and name HN  ))
   (( segid "BBBB" and resid 63   and name HG  ))
 ASSI {  719}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 19   and name HG1 ))
      2.100     2.100     3.900 peak   719 spectrum    1 weight  0.10000E+01 volume  0.12228E-02 ppm1      8.635 ppm2      1.257 CV     1
 ASSI {  720}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 88   and name HG2 ))
      2.300     2.300     3.700 peak   720 spectrum    1 weight  0.10000E+01 volume  0.79058E-03 ppm1      1.873 ppm2      1.585 CV     1
 OR {  720}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 88   and name HG2 ))
 ASSI {  722}
   (( segid "BBBB" and resid 1    and name HG2 ))
   (( segid "AAAA" and resid 43   and name HG1 ))
      1.800     0.400     0.400 peak   722 spectrum    1 weight  0.10000E+01 volume  0.12568E-02 ppm1      2.506 ppm2      1.099 CV     1
 ASSI {  724}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 59   and name HG2 ))
      2.500     2.500     3.500 peak   724 spectrum    1 weight  0.10000E+01 volume  0.78194E-03 ppm1      8.518 ppm2      1.193 CV     1
 ASSI {  726}
   (( segid "AAAA" and resid 70   and name HA  ))
   (( segid "AAAA" and resid 71   and name HG  ))
      2.400     2.400     3.600 peak   726 spectrum    1 weight  0.10000E+01 volume  0.89786E-03 ppm1      4.920 ppm2      1.433 CV     1
 OR {  726}
   (( segid "AAAA" and resid 7    and name HB  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 ASSI {  728}
   (( segid "BBBB" and resid 2    and name HN  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      1.800     1.800     4.200 peak   728 spectrum    1 weight  0.10000E+01 volume  0.99017E-03 ppm1      8.237 ppm2      1.281 CV     1
 OR {  728}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
 OR {  728}
   (( segid "AAAA" and resid 2    and name HN  ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 ASSI {  729}
   (( segid "BBBB" and resid 76   and name HB2 ))
   (( segid "BBBB" and resid 79   and name HG  ))
      2.100     2.100     3.900 peak   729 spectrum    1 weight  0.10000E+01 volume  0.23860E-02 ppm1      2.823 ppm2      1.491 CV     1
 OR {  729}
   (( segid "BBBB" and resid 76   and name HB2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
 ASSI {  730}
   (( segid "BBBB" and resid 76   and name HA  ))
   (( segid "BBBB" and resid 76   and name HB2 ))
      0.800     0.800     5.200 peak   730 spectrum    1 weight  0.10000E+01 volume  0.17293E-02 ppm1      3.807 ppm2      2.855 CV     1
 OR {  730}
   (( segid "AAAA" and resid 76   and name HA  ))
   (( segid "AAAA" and resid 76   and name HB2 ))
 ASSI {  732}
   (( segid "BBBB" and resid 1    and name HA  ))
   (( segid "AAAA" and resid 43   and name HB  ))
      2.800     1.000     1.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.42470E-03 ppm1      4.369 ppm2      4.036 CV     1
 OR {  732}
   (( segid "AAAA" and resid 75   and name HA  ))
   (( segid "AAAA" and resid 74   and name HA  ))
 ASSI {  735}
   (( segid "AAAA" and resid 77   and name HE3 ))
   (( segid "AAAA" and resid 75   and name HA  ))
      2.800     0.900     0.900 peak   735 spectrum    1 weight  0.10000E+01 volume  0.81911E-03 ppm1      7.604 ppm2      4.376 CV     1
 OR {  735}
   (( segid "BBBB" and resid 77   and name HE3 ))
   (( segid "BBBB" and resid 75   and name HA  ))
 ASSI {  738}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "BBBB" and resid 10   and name HA  ))
      2.600     2.600     3.400 peak   738 spectrum    1 weight  0.10000E+01 volume  0.64137E-03 ppm1      4.299 ppm2      3.697 CV     1
 OR {  738}
   (( segid "BBBB" and resid 3    and name HA  ))
   (( segid "AAAA" and resid 54   and name HA2 ))
 OR {  738}
   (( segid "BBBB" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 10   and name HA  ))
 OR {  738}
   (( segid "AAAA" and resid 69   and name HA  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
 ASSI {  740}
   (( segid "AAAA" and resid 70   and name HG2 ))
   (( segid "AAAA" and resid 33   and name HB2 ))
      3.000     1.100     1.100 peak   740 spectrum    1 weight  0.10000E+01 volume  0.22381E-03 ppm1      2.096 ppm2      1.977 CV     1
 
 ASSI {  741}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 63   and name HG  ))
      2.600     2.600     3.400 peak   741 spectrum    1 weight  0.10000E+01 volume  0.10162E-02 ppm1      9.256 ppm2      1.152 CV     1
 OR {  741}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 63   and name HG  ))
 ASSI {  746}
   (( segid "AAAA" and resid 7    and name HA  ))
   (( segid "AAAA" and resid 9    and name HG  ))
      2.200     2.200     3.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.71101E-03 ppm1      4.487 ppm2      1.433 CV     1
 ASSI {  749}
   (( segid "AAAA" and resid 24   and name HA  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
      5.200     3.800     1.000 peak   749 spectrum    1 weight  0.10000E+01 volume  0.32853E-03 ppm1      3.666 ppm2      3.416 CV     1
OR {  749}
   (( segid "BBBB" and resid 24   and name HA  ))
   (( segid "BBBB" and resid 32   and name HB2 ))
 ASSI {  750}
   (( segid "AAAA" and resid 44   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
      2.700     0.900     0.900 peak   750 spectrum    1 weight  0.10000E+01 volume  0.89376E-03 ppm1      8.471 ppm2      1.140 CV     1
 OR {  750}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 OR {  750}
   (( segid "BBBB" and resid 44   and name HN  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
 ASSI {  752}
   (( segid "AAAA" and resid 76   and name HA  ))
   (( segid "AAAA" and resid 71   and name HB2 ))
      1.300     1.300     4.700 peak   752 spectrum    1 weight  0.10000E+01 volume  0.12153E-02 ppm1      4.088 ppm2      2.135 CV     1
 OR {  752}
   (( segid "AAAA" and resid 5    and name HA  ))
   (( segid "BBBB" and resid 86   and name HB2 ))
 ASSI {  754}
   (( segid "AAAA" and resid 73   and name HB2 ))
   (( segid "AAAA" and resid 72   and name HG2 ))
      2.400     2.400     3.600 peak   754 spectrum    1 weight  0.10000E+01 volume  0.89160E-03 ppm1      3.022 ppm2      1.714 CV     1
 OR {  754}
   (( segid "BBBB" and resid 73   and name HB2 ))
   (( segid "BBBB" and resid 72   and name HG2 ))
 ASSI {  755}
   (( segid "AAAA" and resid 25   and name HA1 ))
   (( segid "AAAA" and resid 25   and name HA2 ))
      2.900     2.900     3.100 peak   755 spectrum    1 weight  0.10000E+01 volume  0.31366E-03 ppm1      4.158 ppm2      3.890 CV     1
 ASSI {  760}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
      2.300     0.600     0.600 peak   760 spectrum    1 weight  0.10000E+01 volume  0.13166E-02 ppm1      7.534 ppm2      1.474 CV     1
 ASSI {  761}
   (( segid "BBBB" and resid 51   and name HA  ))
   (( segid "BBBB" and resid 51   and name HG2 ))
      2.500     0.800     0.800 peak   761 spectrum    1 weight  0.10000E+01 volume  0.66257E-03 ppm1      3.948 ppm2      1.368 CV     1
 ASSI {  764}
   (( segid "BBBB" and resid 20   and name HA  ))
   (( segid "BBBB" and resid 19   and name HG1 ))
      2.500     0.800     0.800 peak   764 spectrum    1 weight  0.10000E+01 volume  0.90045E-03 ppm1      3.444 ppm2      1.257 CV     1
 OR {  764}
   (( segid "AAAA" and resid 42   and name HA  ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 ASSI {  766}
   (( segid "BBBB" and resid 83   and name HA  ))
   (( segid "BBBB" and resid 84   and name HA  ))
      2.800     2.800     3.200 peak   766 spectrum    1 weight  0.10000E+01 volume  0.43628E-03 ppm1      3.901 ppm2      3.551 CV     1
 OR {  766}
   (( segid "AAAA" and resid 83   and name HA  ))
   (( segid "AAAA" and resid 85   and name HA  ))
 OR {  766}
   (( segid "BBBB" and resid 83   and name HA  ))
   (( segid "BBBB" and resid 85   and name HA  ))
 ASSI {  767}
   (  segid "BBBB" and resid 76   and name HE% )
   (  segid "AAAA" and resid 95   and name HG2%)
      1.700     1.700     4.300 peak   767 spectrum    1 weight  0.10000E+01 volume  0.12244E-02 ppm1      6.702 ppm2      0.871 CV     1
 ASSI {  769}
   (( segid "BBBB" and resid 1    and name HB2 ))
   (( segid "AAAA" and resid 43   and name HG1 ))
      3.000     1.200     1.200 peak   769 spectrum    1 weight  0.10000E+01 volume  0.44326E-03 ppm1      2.002 ppm2      1.099 CV     1
 OR {  769}
   (( segid "AAAA" and resid 1    and name HB2 ))
   (( segid "BBBB" and resid 43   and name HG1 ))
 ASSI {  771}
   (( segid "BBBB" and resid 43   and name HA  ))
   (( segid "BBBB" and resid 44   and name HB2 ))
      2.500     2.500     3.500 peak   771 spectrum    1 weight  0.10000E+01 volume  0.81594E-03 ppm1      3.819 ppm2      2.345 CV     1
 OR {  771}
   (( segid "AAAA" and resid 43   and name HA  ))
   (( segid "AAAA" and resid 44   and name HB2 ))
 OR {  771}
   (( segid "AAAA" and resid 82   and name HA  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
 OR {  771}
   (( segid "BBBB" and resid 82   and name HA  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 ASSI {  776}
   (( segid "AAAA" and resid 86   and name HG2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
      1.700     1.700     4.300 peak   776 spectrum    1 weight  0.10000E+01 volume  0.13604E-02 ppm1      2.307 ppm2      1.474 CV     1
 OR {  776}
   (( segid "BBBB" and resid 86   and name HG2 ))
   (( segid "AAAA" and resid 9    and name HG  ))
 ASSI {  778}
   (( segid "BBBB" and resid 77   and name HD1 ))
   (( segid "BBBB" and resid 79   and name HG  ))
      1.500     1.500     4.500 peak   778 spectrum    1 weight  0.10000E+01 volume  0.95489E-03 ppm1      7.241 ppm2      1.474 CV     1
 OR {  778}
   (( segid "BBBB" and resid 77   and name HD1 ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  778}
   (( segid "BBBB" and resid 77   and name HH2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  778}
   (( segid "AAAA" and resid 77   and name HH2 ))
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  778}
   (( segid "BBBB" and resid 77   and name HH2 ))
   (( segid "BBBB" and resid 79   and name HG  ))
 OR {  778}
   (( segid "AAAA" and resid 77   and name HH2 ))
   (( segid "AAAA" and resid 79   and name HG  ))
 OR {  778}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 OR {  778}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 ASSI {  781}
   (( segid "BBBB" and resid 94   and name HA2 ))
   (( segid "BBBB" and resid 93   and name HG  ))
      2.400     0.700     0.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.10876E-02 ppm1      3.819 ppm2      1.439 CV     1
 OR {  781}
   (( segid "AAAA" and resid 43   and name HA  ))
   (( segid "AAAA" and resid 46   and name HG  ))
 OR {  781}
   (( segid "BBBB" and resid 81   and name HA2 ))
   (( segid "BBBB" and resid 80   and name HB  ))
 OR {  781}
   (( segid "AAAA" and resid 81   and name HA2 ))
   (( segid "AAAA" and resid 80   and name HB  ))
 OR {  781}
   (( segid "BBBB" and resid 81   and name HA1 ))
   (( segid "BBBB" and resid 80   and name HB  ))
 OR {  781}
   (( segid "AAAA" and resid 81   and name HA1 ))
   (( segid "AAAA" and resid 80   and name HB  ))
 ASSI {  783}
   (( segid "BBBB" and resid 80   and name HA  ))
   (  segid "BBBB" and resid 80   and name HG2%)
      2.700     0.900     0.900 peak   783 spectrum    1 weight  0.10000E+01 volume  0.97117E-03 ppm1      3.256 ppm2      0.736 CV     1
 OR {  783}
   (( segid "AAAA" and resid 80   and name HA  ))
   (  segid "AAAA" and resid 80   and name HG2%)
 ASSI {  785}
   (( segid "AAAA" and resid 8    and name HB2 ))
   (( segid "AAAA" and resid 9    and name HG  ))
      2.400     2.400     3.600 peak   785 spectrum    1 weight  0.10000E+01 volume  0.12866E-02 ppm1      2.061 ppm2      1.497 CV     1
 OR {  785}
   (( segid "BBBB" and resid 8    and name HB2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  785}
   (( segid "AAAA" and resid 90   and name HB2 ))
   (( segid "AAAA" and resid 88   and name HB2 ))
 OR {  785}
   (( segid "BBBB" and resid 90   and name HB2 ))
   (( segid "BBBB" and resid 88   and name HB2 ))
 OR {  785}
   (( segid "BBBB" and resid 70   and name HG2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
 OR {  785}
   (( segid "AAAA" and resid 90   and name HB2 ))
   (( segid "BBBB" and resid 79   and name HG  ))
 OR {  785}
   (( segid "BBBB" and resid 90   and name HB2 ))
   (( segid "AAAA" and resid 79   and name HG  ))
 ASSI {  790}
   (( segid "BBBB" and resid 36   and name HA  ))
   (( segid "BBBB" and resid 36   and name HB2 ))
      2.500     0.800     0.800 peak   790 spectrum    1 weight  0.10000E+01 volume  0.68683E-03 ppm1      4.440 ppm2      2.890 CV     1
 ASSI {  793}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 85   and name HA  ))
      2.400     0.700     0.700 peak   793 spectrum    1 weight  0.10000E+01 volume  0.89426E-03 ppm1      7.276 ppm2      3.562 CV     1
 OR {  793}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 ASSI {  794}
   (( segid "BBBB" and resid 93   and name HB2 ))
   (( segid "BBBB" and resid 89   and name HG2 ))
      2.800     2.800     3.200 peak   794 spectrum    1 weight  0.10000E+01 volume  0.68590E-03 ppm1      1.721 ppm2      0.988 CV     1
 OR {  794}
   (( segid "AAAA" and resid 93   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HG2 ))
 OR {  794}
   (( segid "AAAA" and resid 85   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HG2 ))
 OR {  794}
   (( segid "BBBB" and resid 85   and name HB2 ))
   (( segid "BBBB" and resid 89   and name HG2 ))
 ASSI {  795}
   (( segid "AAAA" and resid 58   and name HG2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
      2.600     2.600     3.400 peak   795 spectrum    1 weight  0.10000E+01 volume  0.86295E-03 ppm1      2.307 ppm2      1.216 CV     1
 OR {  795}
   (( segid "BBBB" and resid 58   and name HG2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 OR {  795}
   (( segid "AAAA" and resid 58   and name HG2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR {  795}
   (( segid "AAAA" and resid 45   and name HG2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR {  795}
   (( segid "AAAA" and resid 45   and name HG2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 ASSI {  802}
   (( segid "AAAA" and resid 40   and name HA  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
      2.400     0.700     0.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.50454E-03 ppm1      3.971 ppm2      2.515 CV     1
 OR {  802}
   (( segid "AAAA" and resid 39   and name HA  ))
   (( segid "BBBB" and resid 1    and name HG2 ))
 ASSI {  809}
   (( segid "BBBB" and resid 22   and name HB  ))
   (( segid "BBBB" and resid 22   and name HA  ))
      3.100     1.200     1.200 peak   809 spectrum    1 weight  0.10000E+01 volume  0.35804E-03 ppm1      4.311 ppm2      3.820 CV     1
 OR {  809}
   (( segid "AAAA" and resid 22   and name HB  ))
   (( segid "AAAA" and resid 22   and name HA  ))
 ASSI {  810}
   (( segid "AAAA" and resid 97   and name HE2 ))
   (( segid "AAAA" and resid 97   and name HD2 ))
      2.500     0.800     0.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.61417E-03 ppm1      3.162 ppm2      1.602 CV     1
 OR {  810}
   (( segid "BBBB" and resid 97   and name HE2 ))
   (( segid "BBBB" and resid 97   and name HD2 ))
 ASSI {  813}
   (( segid "BBBB" and resid 70   and name HN  ))
   (( segid "BBBB" and resid 69   and name HA  ))
      2.500     0.800     0.800 peak   813 spectrum    1 weight  0.10000E+01 volume  0.71146E-03 ppm1      7.545 ppm2      4.311 CV     1
 OR {  813}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 87   and name HA  ))
 ASSI {  814}
   (( segid "BBBB" and resid 71   and name HB2 ))
   (( segid "BBBB" and resid 71   and name HG  ))
      2.400     0.700     0.700 peak   814 spectrum    1 weight  0.10000E+01 volume  0.94315E-03 ppm1      2.119 ppm2      1.450 CV     1
 ASSI {  818}
   (( segid "BBBB" and resid 61   and name HA  ))
   (( segid "BBBB" and resid 61   and name HG2 ))
      2.500     0.800     0.800 peak   818 spectrum    1 weight  0.10000E+01 volume  0.10122E-02 ppm1      4.053 ppm2      1.427 CV     1
 OR {  818}
   (( segid "AAAA" and resid 61   and name HA  ))
   (( segid "AAAA" and resid 61   and name HG2 ))
 OR {  818}
   (( segid "AAAA" and resid 93   and name HA  ))
   (( segid "AAAA" and resid 93   and name HG  ))
 ASSI {  819}
   (  segid "BBBB" and resid 76   and name HD% )
   (( segid "BBBB" and resid 74   and name HA  ))
      2.700     0.900     0.900 peak   819 spectrum    1 weight  0.10000E+01 volume  0.74706E-03 ppm1      6.912 ppm2      3.995 CV     1
 OR {  819}
   (  segid "AAAA" and resid 76   and name HD% )
   (( segid "AAAA" and resid 74   and name HA  ))
 OR {  819}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 78   and name HA  ))
 ASSI {  820}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 66   and name HB2 ))
      2.600     2.600     3.400 peak   820 spectrum    1 weight  0.10000E+01 volume  0.82041E-03 ppm1      7.534 ppm2      3.252 CV     1
 OR {  820}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 66   and name HB2 ))
 OR {  820}
   (( segid "BBBB" and resid 64   and name HN  ))
   (( segid "BBBB" and resid 66   and name HB2 ))
 ASSI {  821}
   (( segid "AAAA" and resid 7    and name HA  ))
   (( segid "AAAA" and resid 8    and name HA  ))
      2.700     0.900     0.900 peak   821 spectrum    1 weight  0.10000E+01 volume  0.44450E-03 ppm1      4.498 ppm2      4.159 CV     1
 OR {  821}
   (( segid "BBBB" and resid 7    and name HA  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 OR {  821}
   (( segid "BBBB" and resid 50   and name HA  ))
   (( segid "BBBB" and resid 47   and name HA  ))
 ASSI {  822}
   (( segid "AAAA" and resid 88   and name HA  ))
   (( segid "AAAA" and resid 88   and name HG2 ))
      2.400     0.700     0.700 peak   822 spectrum    1 weight  0.10000E+01 volume  0.90693E-03 ppm1      3.994 ppm2      1.585 CV     1
 ASSI {  825}
   (  segid "BBBB" and resid 38   and name HD% )
   (( segid "BBBB" and resid 41   and name HG  ))
      2.400     2.400     3.600 peak   825 spectrum    1 weight  0.10000E+01 volume  0.94567E-03 ppm1      7.018 ppm2      1.000 CV     1
 ASSI {  828}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 79   and name HG  ))
      2.200     2.200     3.800 peak   828 spectrum    1 weight  0.10000E+01 volume  0.95262E-03 ppm1      9.268 ppm2      1.497 CV     1
 OR {  828}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  828}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 ASSI {  829}
   (  segid "AAAA" and resid 23   and name HD% )
   (( segid "AAAA" and resid 38   and name HA  ))
      2.500     2.500     3.500 peak   829 spectrum    1 weight  0.10000E+01 volume  0.12045E-02 ppm1      6.877 ppm2      4.142 CV     1
 OR {  829}
   (  segid "BBBB" and resid 23   and name HD% )
   (( segid "BBBB" and resid 38   and name HA  ))
 ASSI {  830}
   (( segid "BBBB" and resid 17   and name HN  ))
   (( segid "BBBB" and resid 17   and name HB  ))
      2.400     0.700     0.700 peak   830 spectrum    1 weight  0.10000E+01 volume  0.97969E-03 ppm1      8.237 ppm2      2.264 CV     1
 ASSI {  836}
   (  segid "BBBB" and resid 76   and name HE% )
   (( segid "BBBB" and resid 76   and name HA  ))
      6.000     4.100     2.200 peak   836 spectrum    1 weight  0.10000E+01 volume  0.93038E-03 ppm1      6.702 ppm2      4.159 CV     1
 OR {  836}
   (  segid "AAAA" and resid 76   and name HE% )
   (( segid "AAAA" and resid 76   and name HA  ))
 ASSI {  837}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 80   and name HB  ))
      2.900     1.100     1.100 peak   837 spectrum    1 weight  0.10000E+01 volume  0.45704E-03 ppm1      1.932 ppm2      1.439 CV     1
 OR {  837}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 80   and name HB  ))
 OR {  837}
   (( segid "AAAA" and resid 78   and name HB2 ))
   (( segid "AAAA" and resid 80   and name HB  ))
 OR {  837}
   (( segid "BBBB" and resid 78   and name HB2 ))
   (( segid "BBBB" and resid 80   and name HB  ))
 OR {  837}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 OR {  837}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 OR {  837}
   (( segid "BBBB" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
 OR {  837}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
 OR {  837}
   (( segid "BBBB" and resid 13   and name HB  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 OR {  837}
   (( segid "AAAA" and resid 87   and name HB  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 OR {  837}
   (( segid "BBBB" and resid 13   and name HB  ))
   (( segid "BBBB" and resid 83   and name HG  ))
 OR {  837}
   (( segid "AAAA" and resid 13   and name HB  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 ASSI {  842}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 8    and name HA  ))
      2.400     0.700     0.700 peak   842 spectrum    1 weight  0.10000E+01 volume  0.12333E-02 ppm1      9.280 ppm2      4.124 CV     1
 OR {  842}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 11   and name HA  ))
 OR {  842}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 11   and name HA  ))
 ASSI {  843}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   843 spectrum    1 weight  0.10000E+01 volume  0.12994E-02 ppm1      7.944 ppm2      4.118 CV     1
 OR {  843}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 59   and name HA  ))
 ASSI {  845}
   (( segid "BBBB" and resid 57   and name HN  ))
   (( segid "BBBB" and resid 59   and name HA  ))
      1.300     1.300     4.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.87142E-03 ppm1      8.237 ppm2      4.171 CV     1
 OR {  845}
   (( segid "AAAA" and resid 57   and name HN  ))
   (( segid "AAAA" and resid 59   and name HA  ))
 ASSI {  846}
   (( segid "BBBB" and resid 21   and name HB2 ))
   (  segid "BBBB" and resid 22   and name HG2%)
      1.100     0.100     1.100 peak   846 spectrum    1 weight  0.10000E+01 volume  0.91429E-03 ppm1      3.315 ppm2      1.433 CV     1
 OR {  846}
   (( segid "AAAA" and resid 21   and name HB2  ))
   (  segid "AAAA" and resid 22   and name HG2%)
 ASSI {  848}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 46   and name HG  ))
      2.500     2.500     3.500 peak   848 spectrum    1 weight  0.10000E+01 volume  0.78132E-03 ppm1      8.495 ppm2      1.433 CV     1
 ASSI {  851}
   (( segid "BBBB" and resid 20   and name HN  ))
   (  segid "BBBB" and resid 20   and name HD% )
      5.600     4.300     2.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.50976E-03 ppm1      6.971 ppm2      6.582 CV     1
 OR {  851}
   (( segid "AAAA" and resid 20   and name HN  ))
   (  segid "AAAA" and resid 20   and name HD% )
 ASSI {  858}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
      2.800     2.800     3.200 peak   858 spectrum    1 weight  0.10000E+01 volume  0.73682E-03 ppm1      7.944 ppm2      1.491 CV     1
 OR {  858}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
 OR {  858}
   (( segid "AAAA" and resid 12   and name HN  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  858}
   (( segid "BBBB" and resid 12   and name HN  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  858}
   (( segid "AAAA" and resid 12   and name HN  ))
   (( segid "AAAA" and resid 6    and name HG  ))
 OR {  858}
   (( segid "BBBB" and resid 12   and name HN  ))
   (( segid "BBBB" and resid 6    and name HG  ))
 ASSI {  859}
   (( segid "AAAA" and resid 12   and name HA  ))
   (( segid "AAAA" and resid 14   and name HG2 ))
      2.600     2.600     3.400 peak   859 spectrum    1 weight  0.10000E+01 volume  0.71653E-03 ppm1      4.393 ppm2      2.486 CV     1
 OR {  859}
   (( segid "BBBB" and resid 15   and name HB  ))
   (( segid "BBBB" and resid 14   and name HG2 ))
 OR {  859}
   (( segid "AAAA" and resid 15   and name HB  ))
   (( segid "AAAA" and resid 14   and name HG2 ))
 ASSI {  863}
   (( segid "AAAA" and resid 95   and name HN  ))
   (  segid "AAAA" and resid 95   and name HG2%)
      2.800     1.000     1.000 peak   863 spectrum    1 weight  0.10000E+01 volume  0.71314E-03 ppm1      7.534 ppm2      0.830 CV     1
 OR {  863}
   (( segid "BBBB" and resid 95   and name HN  ))
   (  segid "BBBB" and resid 95   and name HG2%)
 ASSI {  869}
   (  segid "AAAA" and resid 23   and name HD% )
   (( segid "AAAA" and resid 22   and name HG1 ))
      2.800     2.800     3.200 peak   869 spectrum    1 weight  0.10000E+01 volume  0.74485E-03 ppm1      6.854 ppm2      1.263 CV     1
 OR {  869}
   (  segid "BBBB" and resid 23   and name HD% )
   (( segid "BBBB" and resid 22   and name HG1 ))
 ASSI {  870}
   (( segid "BBBB" and resid 20   and name HB2 ))
   (( segid "AAAA" and resid 9    and name HG  ))
      2.600     2.600     3.400 peak   870 spectrum    1 weight  0.10000E+01 volume  0.85054E-03 ppm1      3.057 ppm2      1.439 CV     1
 OR {  870}
   (( segid "BBBB" and resid 85   and name HE2 ))
   (( segid "BBBB" and resid 61   and name HG2 ))
 OR {  870}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "AAAA" and resid 61   and name HG2 ))
 OR {  870}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  870}
   (( segid "BBBB" and resid 85   and name HE2 ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  870}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 61   and name HG2 ))
 OR {  870}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 61   and name HG2 ))
 OR {  870}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "AAAA" and resid 80   and name HB  ))
 OR {  870}
   (( segid "BBBB" and resid 85   and name HE2 ))
   (( segid "BBBB" and resid 80   and name HB  ))
 ASSI {  871}
   (( segid "AAAA" and resid 24   and name HN  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
      2.700     2.700     3.300 peak   871 spectrum    1 weight  0.10000E+01 volume  0.94796E-03 ppm1      8.495 ppm2      0.871 CV     1
 ASSI {  874}
   (( segid "BBBB" and resid 75   and name HA  ))
   (( segid "BBBB" and resid 31   and name HA1 ))
      5.400     3.700     0.700 peak   874 spectrum    1 weight  0.10000E+01 volume  0.40786E-03 ppm1      4.405 ppm2      3.890 CV     1
 OR {  874}
   (( segid "AAAA" and resid 75  and name HA  ))
   (( segid "AAAA" and resid 31   and name HA1 ))
 ASSI {  878}
   (( segid "AAAA" and resid 14   and name HN  ))
   (( segid "AAAA" and resid 14   and name HA  ))
      2.800     1.000     1.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.73149E-03 ppm1      8.401 ppm2      3.890 CV     1
 OR {  878}
   (( segid "BBBB" and resid 14   and name HN  ))
   (( segid "BBBB" and resid 14   and name HA  ))
 ASSI {  881}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 36   and name HB2 ))
      3.200     3.200     2.800 peak   881 spectrum    1 weight  0.10000E+01 volume  0.23486E-03 ppm1      3.069 ppm2      2.884 CV     1
 OR {  881}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 36   and name HB2 ))
 OR {  881}
   (( segid "AAAA" and resid 96   and name HD2 ))
   (( segid "BBBB" and resid 76   and name HB2 ))
 ASSI {  882}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 36   and name HB2 ))
      3.800     1.800     1.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.11584E-03 ppm1      3.104 ppm2      2.890 CV     1
 OR {  882}
   (( segid "AAAA" and resid 38   and name HB2 ))
   (( segid "AAAA" and resid 36   and name HB2 ))
 ASSI {  883}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 63   and name HA  ))
      2.700     0.900     0.900 peak   883 spectrum    1 weight  0.10000E+01 volume  0.88238E-03 ppm1      7.534 ppm2      4.153 CV     1
 OR {  883}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 63   and name HA  ))
 OR {  883}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 62   and name HA  ))
 OR {  883}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 62   and name HA  ))
 ASSI {  887}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 86   and name HG2 ))
      2.800     1.000     1.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.78573E-03 ppm1      7.299 ppm2      2.340 CV     1
 OR {  887}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 86   and name HG2 ))
 ASSI {  896}
   (( segid "BBBB" and resid 77   and name HZ3 ))
   (( segid "BBBB" and resid 76   and name HB2 ))
      6.100     4.100     2.100 peak   896 spectrum    1 weight  0.10000E+01 volume  0.61620E-03 ppm1      6.573 ppm2      3.024 CV     1
  OR {  896}
   (( segid "AAAA" and resid 77   and name HZ3 ))
   (( segid "AAAA" and resid 76   and name HB2 ))
 ASSI {  899}
   (  segid "AAAA" and resid 23   and name HD% )
   (( segid "AAAA" and resid 38   and name HA  ))
      2.700     2.700     3.300 peak   899 spectrum    1 weight  0.10000E+01 volume  0.70906E-03 ppm1      6.573 ppm2      4.124 CV     1
 OR {  899}
   (  segid "BBBB" and resid 23   and name HD% )
   (( segid "BBBB" and resid 38   and name HA  ))
 ASSI {  901}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 9    and name HA  ))
      2.500     0.800     0.800 peak   901 spectrum    1 weight  0.10000E+01 volume  0.80645E-03 ppm1      8.635 ppm2      4.159 CV     1
 OR {  901}
   (( segid "AAAA" and resid 9    and name HN  ))
   (( segid "AAAA" and resid 8    and name HA  ))
 OR {  901}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 8    and name HA  ))
 ASSI {  906}
   (( segid "BBBB" and resid 7    and name HA  ))
   (( segid "AAAA" and resid 89   and name HG2 ))
      2.500     2.500     3.500 peak   906 spectrum    1 weight  0.10000E+01 volume  0.51830E-03 ppm1      4.498 ppm2      0.982 CV     1
 OR {  906}
   (( segid "AAAA" and resid 7    and name HA  ))
   (( segid "BBBB" and resid 89   and name HG2 ))
 OR {  906}
   (( segid "BBBB" and resid 7    and name HA  ))
   (( segid "AAAA" and resid 41   and name HG  ))
 OR {  906}
   (( segid "AAAA" and resid 7    and name HA  ))
   (( segid "BBBB" and resid 41   and name HG  ))
 ASSI {  907}
   (( segid "BBBB" and resid 14   and name HN  ))
   (( segid "BBBB" and resid 11   and name HA  ))
      2.600     0.900     0.900 peak   907 spectrum    1 weight  0.10000E+01 volume  0.81837E-03 ppm1      8.401 ppm2      4.130 CV     1
 OR {  907}
   (( segid "AAAA" and resid 14   and name HN  ))
   (( segid "AAAA" and resid 11   and name HA  ))
 OR {  907}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 38   and name HA  ))
 ASSI {  910}
   (( segid "AAAA" and resid 7    and name HB  ))
   (( segid "AAAA" and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.43921E-03 ppm1      4.920 ppm2      4.487 CV     1
 ASSI {  911}
   (( segid "AAAA" and resid 6    and name HA  ))
   (  segid "AAAA" and resid 5    and name HG2%)
      4.400     2.400     1.600 peak   911 spectrum    1 weight  0.10000E+01 volume  0.20466E-03 ppm1      4.381 ppm2      1.181 CV     1
 ASSI {  912}
   (( segid "AAAA" and resid 1    and name HA  ))
   (( segid "BBBB" and resid 59   and name HG2 ))
      1.800     1.800     4.200 peak   912 spectrum    1 weight  0.10000E+01 volume  0.43282E-03 ppm1      4.358 ppm2      1.210 CV     1
 ASSI {  913}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 16   and name HA  ))
      2.500     0.800     0.800 peak   913 spectrum    1 weight  0.10000E+01 volume  0.77497E-03 ppm1      8.635 ppm2      3.826 CV     1
 OR {  913}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA2 ))
 OR {  913}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
 ASSI {  914}
   (( segid "BBBB" and resid 65   and name HB  ))
   (( segid "BBBB" and resid 62   and name HG1 ))
      3.200     1.300     1.300 peak   914 spectrum    1 weight  0.10000E+01 volume  0.26627E-03 ppm1      2.190 ppm2      1.216 CV     1
 OR {  914}
   (( segid "AAAA" and resid 65   and name HB  ))
   (( segid "AAAA" and resid 62   and name HG1 ))
 OR {  914}
   (( segid "BBBB" and resid 60   and name HG2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 ASSI {  915}
   (( segid "BBBB" and resid 44   and name HA  ))
   (( segid "BBBB" and resid 44   and name HG2 ))
      2.800     1.000     1.000 peak   915 spectrum    1 weight  0.10000E+01 volume  0.38100E-03 ppm1      4.276 ppm2      2.381 CV     1
 ASSI {  917}
   (( segid "AAAA" and resid 68   and name HN  ))
   (( segid "AAAA" and resid 67   and name HG2 ))
      2.400     0.700     0.700 peak   917 spectrum    1 weight  0.10000E+01 volume  0.10637E-02 ppm1      8.401 ppm2      2.310 CV     1
 ASSI {  928}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
      2.500     2.500     3.500 peak   928 spectrum    1 weight  0.10000E+01 volume  0.86012E-03 ppm1      2.764 ppm2      1.257 CV     1
 OR {  928}
   (( segid "AAAA" and resid 52   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR {  928}
   (( segid "AAAA" and resid 23   and name HB2 ))
   (( segid "AAAA" and resid 22   and name HG1 ))
 ASSI {  930}
   (  segid "BBBB" and resid 76   and name HE% )
   (( segid "BBBB" and resid 71   and name HG  ))
      2.700     0.900     0.900 peak   930 spectrum    1 weight  0.10000E+01 volume  0.67894E-03 ppm1      6.702 ppm2      1.444 CV     1
 OR {  930}
   (  segid "AAAA" and resid 76   and name HE% )
   (( segid "AAAA" and resid 71   and name HG  ))
 OR {  930}
   (  segid "AAAA" and resid 21   and name HD% )
   (( segid "AAAA" and resid 71   and name HG  ))
 ASSI {  932}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 83   and name HG  ))
      1.600     1.600     4.400 peak   932 spectrum    1 weight  0.10000E+01 volume  0.45224E-03 ppm1      3.537 ppm2      1.450 CV     1
 OR {  932}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 80   and name HB  ))
 OR {  932}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 80   and name HB  ))
 OR {  932}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 OR {  932}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  932}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 80   and name HB  ))
 OR {  932}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 OR {  932}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 61   and name HG2 ))
 ASSI {  940}
   (( segid "BBBB" and resid 48   and name HB2 ))
   (( segid "BBBB" and resid 41   and name HB2 ))
      1.000     1.000     5.000 peak   940 spectrum    1 weight  0.10000E+01 volume  0.43282E-03 ppm1      3.362 ppm2      1.585 CV     1
 OR {  940}
   (( segid "AAAA" and resid 48   and name HB2 ))
   (( segid "AAAA" and resid 41   and name HB2 ))
 OR {  940}
   (( segid "AAAA" and resid 48   and name HB2 ))
   (( segid "AAAA" and resid 89   and name HD2 ))
 OR {  940}
   (( segid "BBBB" and resid 48   and name HB2 ))
   (( segid "BBBB" and resid 89   and name HD2 ))
 OR {  940}
   (( segid "BBBB" and resid 48   and name HB2 ))
   (( segid "BBBB" and resid 98   and name HD2 ))
 OR {  940}
   (( segid "AAAA" and resid 48   and name HB2 ))
   (( segid "AAAA" and resid 98   and name HD2 ))
 ASSI {  942}
   (( segid "BBBB" and resid 20   and name HN  ))
   (  segid "BBBB" and resid 21   and name HD% )
      2.800     1.000     1.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.29475E-03 ppm1      7.018 ppm2      6.704 CV     1
 OR {  942}
   (  segid "AAAA" and resid 23   and name HE% )
   (  segid "AAAA" and resid 21   and name HD% )
 OR {  942}
   (  segid "BBBB" and resid 23   and name HE% )
   (  segid "BBBB" and resid 21   and name HD% )
 ASSI {  944}
   (( segid "BBBB" and resid 34   and name HB2 ))
   (( segid "BBBB" and resid 26   and name HD2 ))
      1.800     1.800     4.200 peak   944 spectrum    1 weight  0.10000E+01 volume  0.20991E-03 ppm1      3.420 ppm2      3.235 CV     1
 OR {  944}
   (( segid "AAAA" and resid 34   and name HB2 ))
   (( segid "AAAA" and resid 26   and name HD2 ))
 ASSI {  946}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 87   and name HA  ))
      2.300     2.300     3.700 peak   946 spectrum    1 weight  0.10000E+01 volume  0.50317E-03 ppm1      7.311 ppm2      4.276 CV     1
 OR {  946}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 19   and name HA  ))
 OR {  946}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 19   and name HA  ))
 OR {  946}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 3    and name HA  ))
 OR {  946}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 OR {  946}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 3    and name HA  ))
 ASSI {  947}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 39   and name HN  ))
      3.000     1.100     1.100 peak   947 spectrum    1 weight  0.10000E+01 volume  0.24464E-03 ppm1      8.553 ppm2      8.430 CV     1
 OR {  947}
   (( segid "BBBB" and resid 54   and name HN  ))
   (( segid "BBBB" and resid 52   and name HN  ))
 ASSI {  948}
   (( segid "BBBB" and resid 23   and name HA  ))
   (( segid "BBBB" and resid 23   and name HB2 ))
      2.600     0.900     0.900 peak   948 spectrum    1 weight  0.10000E+01 volume  0.52411E-03 ppm1      3.971 ppm2      2.761 CV     1
 ASSI {  950}
   (( segid "BBBB" and resid 60   and name HA  ))
   (( segid "BBBB" and resid 58   and name HG2 ))
      2.200     2.200     3.800 peak   950 spectrum    1 weight  0.10000E+01 volume  0.47491E-03 ppm1      3.303 ppm2      2.328 CV     1
 OR {  950}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 58   and name HG2 ))
 OR {  950}
   (( segid "AAAA" and resid 72   and name HD2 ))
   (( segid "AAAA" and resid 32   and name HB2 ))
 OR {  950}
   (( segid "BBBB" and resid 72   and name HD2 ))
   (( segid "BBBB" and resid 33   and name HB2 ))
 ASSI {  951}
   (( segid "BBBB" and resid 60   and name HA  ))
   (( segid "BBBB" and resid 57   and name HB2 ))
      2.300     2.300     3.700 peak   951 spectrum    1 weight  0.10000E+01 volume  0.34163E-03 ppm1      3.326 ppm2      2.521 CV     1
 OR {  951}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 57   and name HB2 ))
 OR {  951}
   (( segid "BBBB" and resid 56   and name HA  ))
   (( segid "AAAA" and resid 1    and name HG2 ))
 ASSI {  952}
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
      2.600     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.60163E-03 ppm1      7.897 ppm2      3.738 CV     1
 ASSI {  954}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 93   and name HG  ))
      2.700     2.700     3.300 peak   954 spectrum    1 weight  0.10000E+01 volume  0.52379E-03 ppm1      7.604 ppm2      1.380 CV     1
 ASSI {  955}
   (( segid "BBBB" and resid 77   and name HA  ))
   (  segid "BBBB" and resid 80   and name HG2%)
      2.700     2.700     3.300 peak   955 spectrum    1 weight  0.10000E+01 volume  0.45683E-03 ppm1      3.737 ppm2      0.766 CV     1
 ASSI {  956}
   (( segid "AAAA" and resid 68   and name HB1 ))
   (( segid "AAAA" and resid 68   and name HB2 ))
      1.600     1.600     4.400 peak   956 spectrum    1 weight  0.10000E+01 volume  0.53192E-03 ppm1      3.467 ppm2      3.100 CV     1
 OR {  956}
   (( segid "BBBB" and resid 68   and name HB1 ))
   (( segid "BBBB" and resid 68   and name HB2 ))
 
 ASSI {  959}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 22   and name HG1 ))
      2.500     0.800     0.800 peak   959 spectrum    1 weight  0.10000E+01 volume  0.14017E-02 ppm1      8.764 ppm2      0.859 CV     1
 ASSI {  961}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 39   and name HG2 ))
      2.900     2.900     3.100 peak   961 spectrum    1 weight  0.10000E+01 volume  0.27552E-03 ppm1      3.315 ppm2      1.286 CV     1
 OR {  961}
   (( segid "BBBB" and resid 60   and name HA  ))
   (( segid "BBBB" and resid 39   and name HG2 ))
 ASSI {  964}
   (( segid "AAAA" and resid 14   and name HB2 ))
   (( segid "AAAA" and resid 13   and name HG11))
      1.700     1.700     4.300 peak   964 spectrum    1 weight  0.10000E+01 volume  0.31946E-03 ppm1      2.014 ppm2      1.579 CV     1
 OR {  964}
   (( segid "BBBB" and resid 14   and name HB2 ))
   (( segid "BBBB" and resid 13   and name HG11))
 OR {  964}
   (( segid "BBBB" and resid 39   and name HB2 ))
   (( segid "BBBB" and resid 41   and name HB2 ))
 OR {  964}
   (( segid "AAAA" and resid 58   and name HB2 ))
   (( segid "AAAA" and resid 41   and name HB2 ))
 ASSI {  965}
   (( segid "AAAA" and resid 52   and name HA  ))
   (  segid "BBBB" and resid 5    and name HG2%)
      3.400     3.400     2.600 peak   965 spectrum    1 weight  0.10000E+01 volume  0.21144E-03 ppm1      4.698 ppm2      1.205 CV     1
 OR {  965}
   (( segid "BBBB" and resid 52   and name HA  ))
   (  segid "AAAA" and resid 5    and name HG2%)
 ASSI {  967}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 89   and name HD2 ))
      1.900     1.900     4.100 peak   967 spectrum    1 weight  0.10000E+01 volume  0.49622E-03 ppm1      3.549 ppm2      1.573 CV     1
 OR {  967}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 41   and name HB2 ))
 OR {  967}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 89   and name HD2 ))
 OR {  967}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 41   and name HB2 ))
 ASSI {  968}
   (( segid "AAAA" and resid 92   and name HN  ))
   (( segid "AAAA" and resid 90   and name HA  ))
      2.700     2.700     3.300 peak   968 spectrum    1 weight  0.10000E+01 volume  0.65082E-03 ppm1      8.084 ppm2      4.007 CV     1
 OR {  968}
   (( segid "AAAA" and resid 92   and name HN  ))
   (( segid "AAAA" and resid 88   and name HA  ))
 OR {  968}
   (( segid "BBBB" and resid 92   and name HN  ))
   (( segid "BBBB" and resid 88   and name HA  ))
 ASSI {  970}
   (  segid "BBBB" and resid 76   and name HD% )
   (( segid "AAAA" and resid 89   and name HG2 ))
      2.400     2.400     3.600 peak   970 spectrum    1 weight  0.10000E+01 volume  0.55653E-03 ppm1      6.866 ppm2      1.006 CV     1
 OR {  970}
   (  segid "AAAA" and resid 76   and name HD% )
   (( segid "BBBB" and resid 89   and name HG2 ))
 OR {  970}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 89   and name HG2 ))
 OR {  970}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 89   and name HG2 ))
 ASSI {  973}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 2    and name HA  ))
      2.300     2.300     3.700 peak   973 spectrum    1 weight  0.10000E+01 volume  0.46755E-03 ppm1      7.955 ppm2      4.405 CV     1
 ASSI {  974}
   (( segid "BBBB" and resid 3    and name HA  ))
   (( segid "AAAA" and resid 59   and name HD2 ))
      1.500     1.500     4.500 peak   974 spectrum    1 weight  0.10000E+01 volume  0.44320E-03 ppm1      4.241 ppm2      3.106 CV     1
 OR {  974}
   (( segid "BBBB" and resid 4    and name HA  ))
   (( segid "AAAA" and resid 88   and name HD2 ))
 OR {  974}
   (( segid "BBBB" and resid 41   and name HA  ))
   (( segid "BBBB" and resid 38   and name HB2 ))
 OR {  974}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 38   and name HB2 ))
 OR {  974}
   (( segid "BBBB" and resid 3    and name HA  ))
   (( segid "AAAA" and resid 38   and name HB2 ))
 OR {  974}
   (( segid "AAAA" and resid 3    and name HA  ))
   (( segid "BBBB" and resid 38   and name HB2 ))
 OR {  974}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 59   and name HD2 ))
 OR {  974}
   (( segid "AAAA" and resid 4    and name HA  ))
   (( segid "BBBB" and resid 59   and name HD2 ))
 OR {  974}
   (( segid "BBBB" and resid 4    and name HA  ))
   (( segid "AAAA" and resid 59   and name HD2 ))
 OR {  974}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 51   and name HE2 ))
 ASSI {  976}
   (( segid "AAAA" and resid 88   and name HA  ))
   (( segid "AAAA" and resid 85   and name HA  ))
      2.900     2.900     3.100 peak   976 spectrum    1 weight  0.10000E+01 volume  0.19666E-03 ppm1      4.018 ppm2      3.551 CV     1
 ASSI {  977}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 63   and name HG  ))
      2.800     2.800     3.200 peak   977 spectrum    1 weight  0.10000E+01 volume  0.42068E-03 ppm1      8.377 ppm2      1.146 CV     1
 OR {  977}
   (( segid "BBBB" and resid 14   and name HN  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
 OR {  977}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
 ASSI {  979}
   (  segid "BBBB" and resid 23   and name HE% )
   (( segid "BBBB" and resid 22   and name HG1 ))
      2.500     2.500     3.500 peak   979 spectrum    1 weight  0.10000E+01 volume  0.46576E-03 ppm1      7.018 ppm2      0.877 CV     1
 OR {  979}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 22   and name HG1 ))
 ASSI {  981}
   (( segid "BBBB" and resid 45   and name HE22))
   (( segid "BBBB" and resid 41   and name HG  ))
      2.900     2.900     3.100 peak   981 spectrum    1 weight  0.10000E+01 volume  0.44083E-03 ppm1      6.573 ppm2      1.000 CV     1
 OR {  981}
   (( segid "AAAA" and resid 45   and name HE22))
   (( segid "AAAA" and resid 41   and name HG  ))
 ASSI {  982}
   (( segid "AAAA" and resid 66   and name HB2 ))
   (( segid "AAAA" and resid 66   and name HB1 ))
      1.600     1.600     4.400 peak   982 spectrum    1 weight  0.10000E+01 volume  0.68313E-03 ppm1      3.244 ppm2      2.720 CV     1
 OR {  982}
   (( segid "BBBB" and resid 66   and name HB2 ))
   (( segid "BBBB" and resid 66   and name HB1 ))
 ASSI {  984}
   (( segid "AAAA" and resid 36   and name HA  ))
   (( segid "AAAA" and resid 38   and name HB2 ))
      2.200     2.200     3.800 peak   984 spectrum    1 weight  0.10000E+01 volume  0.52983E-03 ppm1      4.498 ppm2      3.083 CV     1
 ASSI {  986}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 80   and name HB  ))
      1.600     0.300     0.600 peak   986 spectrum    1 weight  0.10000E+01 volume  0.50100E-03 ppm1      3.748 ppm2      1.450 CV     1
 OR {  986}
   (( segid "AAAA" and resid 10   and name HA  ))
   (( segid "AAAA" and resid 9    and name HG  ))
 OR {  986}
   (( segid "BBBB" and resid 10   and name HA  ))
   (( segid "BBBB" and resid 9    and name HG  ))
 OR {  986}
   (( segid "BBBB" and resid 10   and name HA  ))
   (( segid "AAAA" and resid 83   and name HG  ))
 ASSI {  991}
   (( segid "BBBB" and resid 21   and name HN  ))
   (  segid "BBBB" and resid 20   and name HD% )
      2.800     1.000     1.000 peak   991 spectrum    1 weight  0.10000E+01 volume  0.37385E-03 ppm1      7.276 ppm2      6.582 CV     1
 OR {  991}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 45   and name HE22))
 ASSI {  993}
   (( segid "BBBB" and resid 49   and name HA  ))
   (( segid "BBBB" and resid 48   and name HB2 ))
      2.700     0.900     0.900 peak   993 spectrum    1 weight  0.10000E+01 volume  0.47581E-03 ppm1      4.194 ppm2      3.323 CV     1
 OR {  993}
   (( segid "BBBB" and resid 25   and name HA1 ))
   (( segid "BBBB" and resid 21   and name HB2 ))
 OR {  993}
   (( segid "BBBB" and resid 47   and name HA  ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 ASSI {  994}
   (( segid "BBBB" and resid 57   and name HA  ))
   (( segid "BBBB" and resid 60   and name HB2 ))
      2.600     0.900     0.900 peak   994 spectrum    1 weight  0.10000E+01 volume  0.22642E-03 ppm1      4.252 ppm2      1.731 CV     1
 ASSI {  995}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 85   and name HA  ))
      2.900     1.100     1.100 peak   995 spectrum    1 weight  0.10000E+01 volume  0.32143E-03 ppm1      4.088 ppm2      3.545 CV     1
 OR {  995}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 85   and name HA  ))
 OR {  995}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 ASSI {  996}
   (( segid "AAAA" and resid 7    and name HN  ))
   (  segid "AAAA" and resid 5    and name HG2%)
      5.600     3.900     0.400 peak   996 spectrum    1 weight  0.10000E+01 volume  0.35258E-03 ppm1      8.647 ppm2      1.140 CV     1
 ASSI {  999}
   (( segid "AAAA" and resid 64   and name HB2 ))
   (( segid "AAAA" and resid 67   and name HG2 ))
      2.800     2.800     3.200 peak   999 spectrum    1 weight  0.10000E+01 volume  0.33159E-03 ppm1      2.893 ppm2      2.287 CV     1
 OR {  999}
   (( segid "BBBB" and resid 64   and name HB2 ))
   (( segid "BBBB" and resid 67   and name HG2 ))
 ASSI { 1002}
   (( segid "AAAA" and resid 36    and name HB2 ))
   (( segid "AAAA" and resid 26    and name HB2 ))
      2.900     2.900     3.100 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.62416E-04 ppm1      2.260 ppm2      2.088 CV     1
 OR { 1002}
   (( segid "BBBB" and resid 36   and name HB2 ))
   (( segid "BBBB" and resid 26   and name HB2 ))
 ASSI { 1007}
   (( segid "AAAA" and resid 57   and name HB2 ))
   (( segid "AAAA" and resid 62   and name HG1 ))
      2.600     2.600     3.400 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.28648E-03 ppm1      2.530 ppm2      1.205 CV     1
 OR { 1007}
   (( segid "BBBB" and resid 57   and name HB2 ))
   (( segid "BBBB" and resid 59   and name HG2 ))
 OR { 1007}
   (( segid "AAAA" and resid 57   and name HB2 ))
   (( segid "AAAA" and resid 59   and name HG2 ))
 OR { 1007}
   (( segid "BBBB" and resid 57   and name HB2 ))
   (( segid "BBBB" and resid 62   and name HG1 ))
 ASSI { 1010}
   (( segid "BBBB" and resid 1    and name HA  ))
   (( segid "AAAA" and resid 41   and name HG  ))
      3.200     1.300     1.300 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.30559E-03 ppm1      4.358 ppm2      0.994 CV     1
 OR { 1010}
   (( segid "AAAA" and resid 1    and name HA  ))
   (( segid "BBBB" and resid 41   and name HG  ))
 OR { 1010}
   (( segid "BBBB" and resid 6    and name HA  ))
   (( segid "AAAA" and resid 89   and name HG2 ))
 OR { 1010}
   (( segid "AAAA" and resid 6    and name HA  ))
   (( segid "BBBB" and resid 89   and name HG2 ))
 ASSI { 1011}
   (( segid "BBBB" and resid 2    and name HN  ))
   (( segid "AAAA" and resid 41   and name HG  ))
      2.700     2.700     3.300 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.82900E-03 ppm1      8.237 ppm2      0.982 CV     1
 OR { 1011}
   (( segid "AAAA" and resid 2    and name HN  ))
   (( segid "BBBB" and resid 41   and name HG  ))
 ASSI { 1012}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 89   and name HE2 ))
      2.300     2.300     3.700 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.22433E-03 ppm1      4.323 ppm2      3.170 CV     1
 OR { 1012}
   (( segid "BBBB" and resid 1    and name HA  ))
   (( segid "AAAA" and resid 47   and name HD1 ))
 OR { 1012}
   (( segid "BBBB" and resid 1    and name HA  ))
   (( segid "AAAA" and resid 47   and name HD2 ))
 ASSI { 1013}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 77   and name HA  ))
      2.900     1.100     1.100 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.54590E-03 ppm1      6.854 ppm2      3.761 CV     1
 OR { 1013}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 77   and name HA  ))
 OR { 1013}
   (  segid "AAAA" and resid 76   and name HD% )
   (( segid "AAAA" and resid 77   and name HA  ))
 ASSI { 1016}
   (( segid "BBBB" and resid 72   and name HB2 ))
   (( segid "BBBB" and resid 32   and name HB2 ))
      3.200     1.300     1.300 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.18453E-03 ppm1      2.295 ppm2      1.889 CV     1
 OR { 1016}
   (( segid "AAAA" and resid 72   and name HB2 ))
   (( segid "AAAA" and resid 32   and name HB2 ))
 ASSI { 1018}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 76   and name HB2 ))
      2.500     2.500     3.500 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.64224E-03 ppm1      7.276 ppm2      2.831 CV     1
 ASSI { 1020}
   (( segid "BBBB" and resid 9    and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
      3.000     3.000     3.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.27570E-03 ppm1      8.670 ppm2      3.697 CV     1
 OR { 1020}
   (( segid "BBBB" and resid 7    and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
 ASSI { 1022}
   (  segid "AAAA" and resid 73   and name HE% )
   (( segid "AAAA" and resid 72   and name HD2 ))
      4.700     2.900     1.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.34663E-03 ppm1      7.100 ppm2      3.328 CV     1
 ASSI { 1023}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 43   and name HA  ))
      1.500     1.500     4.500 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.46170E-03 ppm1      7.920 ppm2      3.826 CV     1
 OR { 1023}
   (( segid "AAAA" and resid 98   and name HN  ))
   (( segid "AAAA" and resid 94   and name HA2 ))
 OR { 1023}
   (( segid "BBBB" and resid 98   and name HN  ))
   (( segid "BBBB" and resid 94   and name HA2 ))
 OR { 1023}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 53   and name HA  ))
 OR { 1023}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 53   and name HA  ))
 ASSI { 1032}
   (( segid "AAAA" and resid 32   and name HA  ))
   (( segid "AAAA" and resid 32   and name HB2 ))
      2.900     1.100     1.100 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.27946E-03 ppm1      5.155 ppm2      3.674 CV     1
 ASSI { 1034}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 75   and name HB2 ))
      3.000     1.100     1.100 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.49669E-03 ppm1      7.100 ppm2      2.275 CV     1
 OR { 1034}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 75   and name HB2 ))
 ASSI { 1035}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 20   and name HB2 ))
      2.900     1.100     1.100 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.36218E-03 ppm1      7.018 ppm2      3.089 CV     1
 OR { 1035}
   (  segid "BBBB" and resid 38   and name HD% )
   (( segid "BBBB" and resid 38   and name HB2 ))
 ASSI { 1037}
   (( segid "BBBB" and resid 59   and name HB2 ))
   (( segid "BBBB" and resid 60   and name HB2 ))
      3.600     1.600     1.600 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.13232E-03 ppm1      1.826 ppm2      1.737 CV     1
 OR { 1037}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 60   and name HB2 ))
 OR { 1037}
   (( segid "AAAA" and resid 29   and name HG2 ))
   (( segid "AAAA" and resid 27   and name HB2 ))
 OR { 1037}
   (( segid "AAAA" and resid 59   and name HB2 ))
   (( segid "AAAA" and resid 39   and name HD2 ))
 OR { 1037}
   (( segid "BBBB" and resid 59   and name HB2 ))
   (( segid "BBBB" and resid 39   and name HD2 ))
 ASSI { 1041}
   (( segid "BBBB" and resid 3    and name HA  ))
   (( segid "AAAA" and resid 52   and name HB2 ))
      2.200     0.600     0.600 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.32538E-03 ppm1      4.287 ppm2      2.773 CV     1
 OR { 1041}
   (( segid "AAAA" and resid 3    and name HA  ))
   (( segid "BBBB" and resid 52   and name HB2 ))
 ASSI { 1044}
   (( segid "BBBB" and resid 38   and name HB2 ))
   (( segid "BBBB" and resid 41   and name HG  ))
      2.500     2.500     3.500 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.86087E-03 ppm1      3.069 ppm2      0.994 CV     1
 OR { 1044}
   (( segid "AAAA" and resid 85   and name HE2 ))
   (( segid "AAAA" and resid 41   and name HG  ))
 ASSI { 1049}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 47   and name HD2 ))
      1.500     1.500     4.500 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.19870E-03 ppm1      4.241 ppm2      3.176 CV     1
 OR { 1049}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 47   and name HD1 ))
 OR { 1049}
   (( segid "BBBB" and resid 3    and name HA  ))
   (( segid "AAAA" and resid 47   and name HD2 ))
 OR { 1049}
   (( segid "BBBB" and resid 4    and name HA  ))
   (( segid "AAAA" and resid 89   and name HE2 ))
 OR { 1049}
   (( segid "BBBB" and resid 3    and name HA  ))
   (( segid "AAAA" and resid 47   and name HD1 ))
 OR { 1049}
   (( segid "AAAA" and resid 4    and name HA  ))
   (( segid "BBBB" and resid 47   and name HD2 ))
 OR { 1049}
   (( segid "AAAA" and resid 3    and name HA  ))
   (( segid "BBBB" and resid 89   and name HE2 ))
 OR { 1049}
   (( segid "BBBB" and resid 3    and name HA  ))
   (( segid "AAAA" and resid 89   and name HE2 ))
 ASSI { 1052}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 60   and name HG2 ))
      2.900     1.100     1.100 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.28613E-03 ppm1      3.326 ppm2      2.240 CV     1
 OR { 1052}
   (( segid "BBBB" and resid 56   and name HA  ))
   (( segid "BBBB" and resid 60   and name HG2 ))
 ASSI { 1055}
   (( segid "BBBB" and resid 77   and name HD1 ))
   (( segid "BBBB" and resid 69   and name HA  ))
      1.900     1.900     4.100 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.34190E-03 ppm1      7.241 ppm2      4.317 CV     1
 ASSI { 1057}
   (( segid "AAAA" and resid 7    and name HN  ))
   (  segid "AAAA" and resid 5    and name HG2%)
      6.000     6.000     0.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.30748E-03 ppm1      8.694 ppm2      1.134 CV     1
 ASSI { 1058}
   (( segid "AAAA" and resid 23   and name HN  ))
   (  segid "AAAA" and resid 21   and name HD% )
      2.900     1.000     1.000 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.46783E-03 ppm1      7.405 ppm2      6.763 CV     1
 OR { 1058}
   (( segid "AAAA" and resid 25   and name HN  ))
   (  segid "AAAA" and resid 21   and name HD% )
 OR { 1058}
   (( segid "BBBB" and resid 25   and name HN  ))
   (  segid "BBBB" and resid 21   and name HD% )
 ASSI { 1059}
   (( segid "AAAA" and resid 67   and name HE21))
   (( segid "AAAA" and resid 67   and name HG2 ))
      2.500     0.800     0.800 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.61776E-03 ppm1      7.920 ppm2      2.316 CV     1
 ASSI { 1065}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 17   and name HN  ))
      2.700     0.900     0.900 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.42381E-03 ppm1      8.635 ppm2      8.243 CV     1
 ASSI { 1066}
   (( segid "AAAA" and resid 50   and name HA  ))
   (( segid "AAAA" and resid 48   and name HB2 ))
      3.100     3.100     2.900 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.37048E-03 ppm1      4.510 ppm2      3.364 CV     1
 OR { 1066}
   (( segid "BBBB" and resid 50   and name HA  ))
   (( segid "BBBB" and resid 48   and name HB2 ))



!S100A13 NOE distance constraint table created by SIVA on 12th jan 2005
!M1
!A2
assign ( segid "AAAA" and resid    1 and  name HA    ) ( segid "AAAA" and resid    2 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid    2 and  name HA    ) ( segid "AAAA" and resid    2 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid    2 and  name HB*   ) ( segid "AAAA" and resid    2 and  name HN   ) 4.5 2.7 1.5
assign ( segid "AAAA" and resid    1 and  name HB#   ) ( segid "AAAA" and resid    2 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid    1 and  name HG#   ) ( segid "AAAA" and resid    2 and  name HN   ) 5.5 3.7 1.0

!A3
assign ( segid "AAAA" and resid    2 and  name HA    ) ( segid "AAAA" and resid    3 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid    3 and  name HA    ) ( segid "AAAA" and resid    3 and  name HN   ) 3.5 1.7 0.5
assign ( segid "AAAA" and resid    3 and  name HB*   ) ( segid "AAAA" and resid    3 and  name HN   ) 4.5 2.7 1.5
!E4
assign ( segid "AAAA" and resid    3 and  name HA    ) ( segid "AAAA" and resid    4 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid    4 and  name HA    ) ( segid "AAAA" and resid    4 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid    4 and  name HB#   ) ( segid "AAAA" and resid    4 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid    4 and  name HG#   ) ( segid "AAAA" and resid    4 and  name HN   ) 5.0 3.2 1.0
!T5
assign ( segid "AAAA" and resid    4 and  name HA    ) ( segid "AAAA" and resid    5 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid    5 and  name HA    ) ( segid "AAAA" and resid    5 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid    5 and  name HB    ) ( segid "AAAA" and resid    5 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid    5 and  name HG*   ) ( segid "AAAA" and resid    5 and  name HN   ) 4.5 2.7 1.5
assign ( segid "AAAA" and resid    4 and  name HB#   ) ( segid "AAAA" and resid    5 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid    4 and  name HG#   ) ( segid "AAAA" and resid    5 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid    3 and  name HB*   ) ( segid "AAAA" and resid    5 and  name HN   ) 4.5 2.7 1.5
!L6
assign ( segid "AAAA" and resid    5 and  name HA    ) ( segid "AAAA" and resid    6 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid    6 and  name HA    ) ( segid "AAAA" and resid    6 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid    6 and  name HG    ) ( segid "AAAA" and resid    6 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid    6 and  name HD#   ) ( segid "AAAA" and resid    6 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid    6 and  name HB#   ) ( segid "AAAA" and resid    6 and  name HN   ) 4.0 2.2 1.0
!T7
assign ( segid "AAAA" and resid    6 and  name HA    ) ( segid "AAAA" and resid    7 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid    7 and  name HA    ) ( segid "AAAA" and resid    7 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid    7 and  name HB    ) ( segid "AAAA" and resid    7 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid    7 and  name HG*   ) ( segid "AAAA" and resid    7 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid    6 and  name HB#   ) ( segid "AAAA" and resid    7 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid    6 and  name HD#   ) ( segid "AAAA" and resid    7 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid    6 and  name HG    ) ( segid "AAAA" and resid    7 and  name HN   ) 4.5 2.7 0.5
!E8
assign ( segid "AAAA" and resid    7 and  name HA    ) ( segid "AAAA" and resid    8 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid    8 and  name HA    ) ( segid "AAAA" and resid    8 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid    8 and  name HB#   ) ( segid "AAAA" and resid    8 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid    8 and  name HG#   ) ( segid "AAAA" and resid    8 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid    7 and  name HG*   ) ( segid "AAAA" and resid    8 and  name HN   ) 4.0 2.2 1.5
assign ( segid "AAAA" and resid    7 and  name HB    ) ( segid "AAAA" and resid    8 and  name HN   ) 4.0 2.2 0.5
!L9
assign ( segid "AAAA" and resid    8 and  name HA    ) ( segid "AAAA" and resid    9 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid    9 and  name HA    ) ( segid "AAAA" and resid    9 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid    9 and  name HB#   ) ( segid "AAAA" and resid    9 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid    9 and  name HG    ) ( segid "AAAA" and resid    9 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid    9 and  name HD#   ) ( segid "AAAA" and resid    9 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid    8 and  name HB#   ) ( segid "AAAA" and resid    9 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid    8 and  name HG#   ) ( segid "AAAA" and resid    9 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid    7 and  name HB    ) ( segid "AAAA" and resid    9 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid    8 and  name HN    ) ( segid "AAAA" and resid    9 and  name HN   ) 4.0 2.2 0.5
!E10
assign ( segid "AAAA" and resid    9 and  name HA    ) ( segid "AAAA" and resid   10 and  name HN   ) 5.5 3.7 0.5
assign ( segid "AAAA" and resid   10 and  name HA    ) ( segid "AAAA" and resid   10 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   10 and  name HB#   ) ( segid "AAAA" and resid   10 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   10 and  name HG#   ) ( segid "AAAA" and resid   10 and  name HN   ) 5.5 3.7 1.0
assign ( segid "AAAA" and resid    9 and  name HB#   ) ( segid "AAAA" and resid   10 and  name HN   ) 5.5 3.7 1.0
assign ( segid "AAAA" and resid    9 and  name HD#   ) ( segid "AAAA" and resid   10 and  name HN   ) 5.5 3.7 1.0
assign ( segid "AAAA" and resid    9 and  name HN    ) ( segid "AAAA" and resid   10 and  name HN   ) 4.0 2.2 0.5
!A11
assign ( segid "AAAA" and resid   10 and  name HA    ) ( segid "AAAA" and resid   11 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   11 and  name HA    ) ( segid "AAAA" and resid   11 and  name HN   ) 3.5 1.7 0.5
assign ( segid "AAAA" and resid   11 and  name HB*   ) ( segid "AAAA" and resid   11 and  name HN   ) 4.0 2.2 1.5
assign ( segid "AAAA" and resid   10 and  name HB#   ) ( segid "AAAA" and resid   11 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   10 and  name HG#   ) ( segid "AAAA" and resid   11 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   10 and  name HN    ) ( segid "AAAA" and resid   11 and  name HN   ) 4.0 2.2 0.5
!A12
assign ( segid "AAAA" and resid   11 and  name HA    ) ( segid "AAAA" and resid   12 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   12 and  name HA    ) ( segid "AAAA" and resid   12 and  name HN   ) 3.5 1.7 0.5
assign ( segid "AAAA" and resid   12 and  name HB*   ) ( segid "AAAA" and resid   12 and  name HN   ) 4.0 2.2 1.5
assign ( segid "AAAA" and resid   11 and  name HN    ) ( segid "AAAA" and resid   12 and  name HN   ) 3.5 1.7 0.5
!I13
assign ( segid "AAAA" and resid   12 and  name HA    ) ( segid "AAAA" and resid   13 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   13 and  name HA    ) ( segid "AAAA" and resid   13 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   13 and  name HB    ) ( segid "AAAA" and resid   13 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   13 and  name HG#   ) ( segid "AAAA" and resid   13 and  name HN   ) 4.0 2.2 1.5
!E14
assign ( segid "AAAA" and resid   13 and  name HA    ) ( segid "AAAA" and resid   14 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   14 and  name HA    ) ( segid "AAAA" and resid   14 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   14 and  name HB#   ) ( segid "AAAA" and resid   14 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   14 and  name HG#   ) ( segid "AAAA" and resid   14 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   13 and  name HN    ) ( segid "AAAA" and resid   14 and  name HN   ) 4.5 2.7 0.5
!T15
assign ( segid "AAAA" and resid   14 and  name HA    ) ( segid "AAAA" and resid   15 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   15 and  name HA    ) ( segid "AAAA" and resid   15 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   15 and  name HB    ) ( segid "AAAA" and resid   15 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   15 and  name HG*   ) ( segid "AAAA" and resid   15 and  name HN   ) 4.5 2.7 1.5
assign ( segid "AAAA" and resid   14 and  name HB#   ) ( segid "AAAA" and resid   15 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   14 and  name HG#   ) ( segid "AAAA" and resid   15 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   14 and  name HN    ) ( segid "AAAA" and resid   15 and  name HN   ) 4.0 2.2 0.5

!V16
assign ( segid "AAAA" and resid   15 and  name HA    ) ( segid "AAAA" and resid   16 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   16 and  name HA    ) ( segid "AAAA" and resid   16 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   13 and  name HA    ) ( segid "AAAA" and resid   16 and  name HN   ) 3.5 1.7 0.5
assign ( segid "AAAA" and resid   16 and  name HB    ) ( segid "AAAA" and resid   16 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   16 and  name HG*   ) ( segid "AAAA" and resid   16 and  name HN   ) 4.0 2.2 1.5
assign ( segid "AAAA" and resid   15 and  name HG*   ) ( segid "AAAA" and resid   16 and  name HN   ) 4.0 2.2 1.5
assign ( segid "AAAA" and resid   15 and  name HB    ) ( segid "AAAA" and resid   16 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   15 and  name HN    ) ( segid "AAAA" and resid   16 and  name HN   ) 4.0 2.2 0.5
!V17
assign ( segid "AAAA" and resid   16 and  name HA    ) ( segid "AAAA" and resid   17 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   17 and  name HA    ) ( segid "AAAA" and resid   17 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   17 and  name HB    ) ( segid "AAAA" and resid   17 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   17 and  name HG*   ) ( segid "AAAA" and resid   17 and  name HN   ) 4.0 2.2 1.5
assign ( segid "AAAA" and resid   16 and  name HN    ) ( segid "AAAA" and resid   17 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   16 and  name HG*   ) ( segid "AAAA" and resid   17 and  name HN   ) 4.0 2.2 1.5
assign ( segid "AAAA" and resid   16 and  name HB    ) ( segid "AAAA" and resid   17 and  name HN   ) 4.0 2.2 0.5
!S18
assign ( segid "AAAA" and resid   17 and  name HA    ) ( segid "AAAA" and resid   18 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   18 and  name HA    ) ( segid "AAAA" and resid   18 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   18 and  name HB#   ) ( segid "AAAA" and resid   18 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   17 and  name HN    ) ( segid "AAAA" and resid   18 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   17 and  name HB    ) ( segid "AAAA" and resid   18 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   17 and  name HG*   ) ( segid "AAAA" and resid   18 and  name HN   ) 4.0 2.2 1.5
!T19
assign ( segid "AAAA" and resid   18 and  name HA    ) ( segid "AAAA" and resid   19 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   19 and  name HA    ) ( segid "AAAA" and resid   19 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   16 and  name HA    ) ( segid "AAAA" and resid   19 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   19 and  name HB    ) ( segid "AAAA" and resid   19 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   19 and  name HG*   ) ( segid "AAAA" and resid   19 and  name HN   ) 4.0 2.2 1.5
assign ( segid "AAAA" and resid   18 and  name HN    ) ( segid "AAAA" and resid   19 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   18 and  name HB#   ) ( segid "AAAA" and resid   19 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   17 and  name HG*   ) ( segid "AAAA" and resid   19 and  name HN   ) 5.5 3.7 1.5
!F20
assign ( segid "AAAA" and resid   19 and  name HA    ) ( segid "AAAA" and resid   20 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   20 and  name HA    ) ( segid "AAAA" and resid   20 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   20 and  name HB#   ) ( segid "AAAA" and resid   20 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   20 and  name HB#   ) ( segid "AAAA" and resid   20 and  name HD#  ) 4.0 2.2 2.0
assign ( segid "AAAA" and resid   20 and  name HB#   ) ( segid "AAAA" and resid   20 and  name HE#  ) 5.0 3.2 2.0
assign ( segid "AAAA" and resid   20 and  name HA    ) ( segid "AAAA" and resid   20 and  name HD#  ) 4.0 2.2 2.0
assign ( segid "AAAA" and resid   20 and  name HA    ) ( segid "AAAA" and resid   20 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   19 and  name HB    ) ( segid "AAAA" and resid   20 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   19 and  name HG*   ) ( segid "AAAA" and resid   20 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid   19 and  name HN    ) ( segid "AAAA" and resid   20 and  name HN   ) 3.5 1.7 0.5
assign ( segid "AAAA" and resid   19 and  name HB    ) ( segid "AAAA" and resid   20 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   19 and  name HB    ) ( segid "AAAA" and resid   20 and  name HE#  ) 6.5 4.7 2.0
!F21
assign ( segid "AAAA" and resid   20 and  name HA    ) ( segid "AAAA" and resid   21 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   21 and  name HA    ) ( segid "AAAA" and resid   21 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   21 and  name HB#   ) ( segid "AAAA" and resid   21 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   20 and  name HB#   ) ( segid "AAAA" and resid   21 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   21 and  name HB#   ) ( segid "AAAA" and resid   21 and  name HD#  ) 4.0 2.2 2.0
assign ( segid "AAAA" and resid   21 and  name HB#   ) ( segid "AAAA" and resid   21 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   21 and  name HA    ) ( segid "AAAA" and resid   21 and  name HD#  ) 4.0 2.2 2.0
assign ( segid "AAAA" and resid   21 and  name HA    ) ( segid "AAAA" and resid   21 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   21 and  name HN    ) ( segid "AAAA" and resid   21 and  name HD#  ) 5.0 3.2 2.0
assign ( segid "AAAA" and resid   23 and  name HB#   ) ( segid "AAAA" and resid   21 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   38 and  name HD#   ) ( segid "AAAA" and resid   21 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   38 and  name HE#   ) ( segid "AAAA" and resid   21 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "AAAA" and resid   38 and  name HE#   ) ( segid "AAAA" and resid   21 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   38 and  name HD#   ) ( segid "BBBB" and resid   21 and  name HE#  ) 6.5 4.7 2.0
assign ( segid "BBBB" and resid   38 and  name HD#   ) ( segid "BBBB" and resid   21 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "BBBB" and resid   38 and  name HD#   ) ( segid "BBBB" and resid   21 and  name HE#  ) 5.5 3.7 2.0
!assign ( segid "AAAA" and resid   40 and  name HG#   ) ( segid "AAAA" and resid   21 and  name HD#  ) 4.5 2.7 2.0
!assign ( segid "AAAA" and resid   40 and  name HG#   ) ( segid "AAAA" and resid   21 and  name HE#  ) 5.5 3.7 2.0
!assign ( segid "BBBB" and resid   40 and  name HG#   ) ( segid "BBBB" and resid   21 and  name HD#  ) 6.5 4.7 2.0
!assign ( segid "BBBB" and resid   40 and  name HD#   ) ( segid "BBBB" and resid   21 and  name HE#  ) 4.5 2.7 2.0

!T22
assign ( segid "AAAA" and resid   21 and  name HA    ) ( segid "AAAA" and resid   22 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   22 and  name HA    ) ( segid "AAAA" and resid   22 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   22 and  name HB    ) ( segid "AAAA" and resid   22 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   22 and  name HG*   ) ( segid "AAAA" and resid   22 and  name HN   ) 4.5 2.7 1.5
assign ( segid "AAAA" and resid   21 and  name HB#   ) ( segid "AAAA" and resid   22 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   21 and  name HN    ) ( segid "AAAA" and resid   22 and  name HN   ) 3.5 1.7 0.5
assign ( segid "AAAA" and resid   21 and  name HE#   ) ( segid "AAAA" and resid   22 and  name HN   ) 6.5 4.7 2.0
assign ( segid "AAAA" and resid   21 and  name HA    ) ( segid "AAAA" and resid   22 and  name HG*  ) 5.0 3.2 0.5
!F23
assign ( segid "AAAA" and resid   22 and  name HA    ) ( segid "AAAA" and resid   23 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   23 and  name HA    ) ( segid "AAAA" and resid   23 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   23 and  name HB#   ) ( segid "AAAA" and resid   23 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   23 and  name HB#   ) ( segid "AAAA" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "AAAA" and resid   23 and  name HB#   ) ( segid "AAAA" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   23 and  name HA    ) ( segid "AAAA" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "AAAA" and resid   23 and  name HA    ) ( segid "AAAA" and resid   23 and  name HE#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   22 and  name HB    ) ( segid "AAAA" and resid   23 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   22 and  name HG*   ) ( segid "AAAA" and resid   23 and  name HN   ) 4.5 2.7 1.5
assign ( segid "AAAA" and resid   22 and  name HN    ) ( segid "AAAA" and resid   23 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   21 and  name HD#   ) ( segid "AAAA" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "AAAA" and resid   21 and  name HD#   ) ( segid "AAAA" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   21 and  name HE#   ) ( segid "AAAA" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "AAAA" and resid   21 and  name HE#   ) ( segid "AAAA" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   38 and  name HD#   ) ( segid "AAAA" and resid   23 and  name HB#  ) 6.5 4.7 2.0
assign ( segid "AAAA" and resid   38 and  name HD#   ) ( segid "AAAA" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "AAAA" and resid   38 and  name HD#   ) ( segid "AAAA" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   38 and  name HE#   ) ( segid "AAAA" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "AAAA" and resid   38 and  name HE#   ) ( segid "AAAA" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   38 and  name HD#   ) ( segid "BBBB" and resid   23 and  name HB#   ) 6.5 4.7 2.0
assign ( segid "BBBB" and resid   38 and  name HD#   ) ( segid "BBBB" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "BBBB" and resid   38 and  name HD#   ) ( segid "BBBB" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   38 and  name HE#   ) ( segid "BBBB" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "BBBB" and resid   38 and  name HE#   ) ( segid "BBBB" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   35 and  name HD#   ) ( segid "AAAA" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "AAAA" and resid   35 and  name HD#   ) ( segid "AAAA" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   35 and  name HD#   ) ( segid "BBBB" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "BBBB" and resid   35 and  name HD#   ) ( segid "BBBB" and resid   23 and  name HE#  ) 5.5 3.7 2.0



!A24
assign ( segid "AAAA" and resid   23 and  name HA    ) ( segid "AAAA" and resid   24 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   24 and  name HA    ) ( segid "AAAA" and resid   24 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   24 and  name HB*   ) ( segid "AAAA" and resid   24 and  name HN   ) 4.5 2.7 1.5
assign ( segid "AAAA" and resid   23 and  name HB#   ) ( segid "AAAA" and resid   24 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   23 and  name HN    ) ( segid "AAAA" and resid   24 and  name HN   ) 3.5 1.7 0.5
assign ( segid "AAAA" and resid   20 and  name HE#   ) ( segid "AAAA" and resid   24 and  name HN   ) 6.0 4.2 2.0

!G25
assign ( segid "AAAA" and resid   24 and  name HA    ) ( segid "AAAA" and resid   25 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   25 and  name HA#   ) ( segid "AAAA" and resid   25 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   25 and  name HN    ) ( segid "AAAA" and resid   24 and  name HN   ) 3.5 1.7 0.5
assign ( segid "AAAA" and resid   30 and  name HA    ) ( segid "AAAA" and resid   25 and  name HN   ) 6.0 4.2 1.0
assign ( segid "AAAA" and resid   24 and  name HB*   ) ( segid "AAAA" and resid   25 and  name HN   ) 4.5 2.7 1.5
assign ( segid "AAAA" and resid   23 and  name HN    ) ( segid "AAAA" and resid   25 and  name HN   ) 4.5 2.7 0.5
!assign ( segid "AAAA" and resid   25 and  name HG#   ) ( segid "AAAA" and resid   34 and  name HB#  ) 5.5 3.7 1.0
!assign ( segid "BBBB" and resid   25 and  name HG#   ) ( segid "BBBB" and resid   34 and  name HB#  ) 5.5 3.7 1.0
!R26
assign ( segid "AAAA" and resid   25 and  name HA#   ) ( segid "AAAA" and resid   26 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   26 and  name HA    ) ( segid "AAAA" and resid   26 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   26 and  name HB#   ) ( segid "AAAA" and resid   26 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   26 and  name HG#   ) ( segid "AAAA" and resid   26 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   26 and  name HD#   ) ( segid "AAAA" and resid   26 and  name HN   ) 5.5 3.7 1.0
assign ( segid "AAAA" and resid   26 and  name HN    ) ( segid "AAAA" and resid   25 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   26 and  name HG#   ) ( segid "AAAA" and resid   34 and  name HB#  ) 5.5 3.7 1.0
assign ( segid "BBBB" and resid   26 and  name HG#   ) ( segid "BBBB" and resid   34 and  name HB#  ) 5.5 3.7 1.0

!E27
assign ( segid "AAAA" and resid   26 and  name HA    ) ( segid "AAAA" and resid   27 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   27 and  name HA    ) ( segid "AAAA" and resid   27 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   27 and  name HB#   ) ( segid "AAAA" and resid   27 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   27 and  name HG#   ) ( segid "AAAA" and resid   27 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   26 and  name HB#   ) ( segid "AAAA" and resid   27 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   25 and  name HA#   ) ( segid "AAAA" and resid   27 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   26 and  name HN    ) ( segid "AAAA" and resid   27 and  name HN   ) 3.5 1.7 0.5


!G28
assign ( segid "AAAA" and resid   27 and  name HA    ) ( segid "AAAA" and resid   28 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   28 and  name HA#   ) ( segid "AAAA" and resid   28 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   26 and  name HA    ) ( segid "AAAA" and resid   28 and  name HN   ) 6.0 4.2 0.5
!G31
assign ( segid "AAAA" and resid   30 and  name HA    ) ( segid "AAAA" and resid   31 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   31 and  name HA#   ) ( segid "AAAA" and resid   31 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   30 and  name HB#   ) ( segid "AAAA" and resid   31 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   73 and  name HD#   ) ( segid "AAAA" and resid   31 and  name HN   ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   72 and  name HD#   ) ( segid "AAAA" and resid   31 and  name HA#  ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   75 and  name HB#   ) ( segid "AAAA" and resid   31 and  name HA#  ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   75 and  name HG#   ) ( segid "AAAA" and resid   31 and  name HA#  ) 4.5 2.7 1.0

!S32
assign ( segid "AAAA" and resid   31 and  name HA#   ) ( segid "AAAA" and resid   32 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   32 and  name HA    ) ( segid "AAAA" and resid   32 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   32 and  name HB#   ) ( segid "AAAA" and resid   32 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   31 and  name HN    ) ( segid "AAAA" and resid   32 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   71 and  name HD#   ) ( segid "AAAA" and resid   32 and  name HN   ) 6.0 4.2 1.5
!L33
assign ( segid "AAAA" and resid   32 and  name HA    ) ( segid "AAAA" and resid   33 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   32 and  name HB#   ) ( segid "AAAA" and resid   33 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   33 and  name HB#   ) ( segid "AAAA" and resid   33 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   33 and  name HG#   ) ( segid "AAAA" and resid   33 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   33 and  name HD#   ) ( segid "AAAA" and resid   33 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   33 and  name HA    ) ( segid "AAAA" and resid   33 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   72 and  name HB#   ) ( segid "AAAA" and resid   33 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   72 and  name HG#   ) ( segid "AAAA" and resid   33 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   72 and  name HA    ) ( segid "AAAA" and resid   33 and  name HN   ) 6.0 4.2 0.5
assign ( segid "AAAA" and resid   71 and  name HD#   ) ( segid "AAAA" and resid   33 and  name HN   ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   71 and  name HD#   ) ( segid "AAAA" and resid   33 and  name HA   ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   71 and  name HN    ) ( segid "AAAA" and resid   33 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   71 and  name HA    ) ( segid "AAAA" and resid   33 and  name HN   ) 6.5 4.7 0.5

!N34
assign ( segid "AAAA" and resid   33 and  name HA    ) ( segid "AAAA" and resid   34 and  name HN   ) 3.0 1.2 0.5
assign ( segid "AAAA" and resid   34 and  name HA    ) ( segid "AAAA" and resid   34 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   33 and  name HN    ) ( segid "AAAA" and resid   34 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   33 and  name HB#   ) ( segid "AAAA" and resid   34 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   33 and  name HG#   ) ( segid "AAAA" and resid   34 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   33 and  name HD#   ) ( segid "AAAA" and resid   34 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   34 and  name HB#   ) ( segid "AAAA" and resid   34 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   33 and  name HD#   ) ( segid "AAAA" and resid   34 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   34 and  name HA    ) ( segid "AAAA" and resid   70 and  name HB#  ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   37 and  name HG#   ) ( segid "AAAA" and resid   34 and  name HN   ) 4.0 2.2 1.0
!I35
assign ( segid "AAAA" and resid   34 and  name HA    ) ( segid "AAAA" and resid   35 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   35 and  name HA    ) ( segid "AAAA" and resid   35 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   34 and  name HB#   ) ( segid "AAAA" and resid   35 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   35 and  name HB#   ) ( segid "AAAA" and resid   35 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   35 and  name HG*   ) ( segid "AAAA" and resid   35 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   34 and  name HD#   ) ( segid "AAAA" and resid   35 and  name HN   ) 3.0 1.2 1.0
!N36
assign ( segid "AAAA" and resid   35 and  name HA    ) ( segid "AAAA" and resid   36 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   36 and  name HA    ) ( segid "AAAA" and resid   36 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   36 and  name HA    ) ( segid "AAAA" and resid   36 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   36 and  name HB#   ) ( segid "AAAA" and resid   36 and  name HD#  ) 3.5 1.7 1.0
assign ( segid "AAAA" and resid   35 and  name HB#   ) ( segid "AAAA" and resid   36 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   35 and  name HG*   ) ( segid "AAAA" and resid   36 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   35 and  name HN    ) ( segid "AAAA" and resid   36 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   34 and  name HB#   ) ( segid "AAAA" and resid   36 and  name HN   ) 6.5 4.7 1.0
!E37
assign ( segid "AAAA" and resid   36 and  name HA    ) ( segid "AAAA" and resid   37 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   37 and  name HA    ) ( segid "AAAA" and resid   37 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   36 and  name HB#   ) ( segid "AAAA" and resid   37 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   37 and  name HB#   ) ( segid "AAAA" and resid   37 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   37 and  name HG#   ) ( segid "AAAA" and resid   37 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   36 and  name HN    ) ( segid "AAAA" and resid   37 and  name HN   ) 3.5 1.7 0.5
!F38
assign ( segid "AAAA" and resid   37 and  name HA    ) ( segid "AAAA" and resid   38 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   38 and  name HA    ) ( segid "AAAA" and resid   38 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   38 and  name HB#   ) ( segid "AAAA" and resid   38 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   37 and  name HB#   ) ( segid "AAAA" and resid   37 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   37 and  name HG#   ) ( segid "AAAA" and resid   37 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   37 and  name HN    ) ( segid "AAAA" and resid   38 and  name HN   ) 3.5 1.7 0.5
assign ( segid "AAAA" and resid   38 and  name HB#   ) ( segid "AAAA" and resid   38 and  name HD#  ) 4.0 2.2 2.0
assign ( segid "AAAA" and resid   38 and  name HB#   ) ( segid "AAAA" and resid   38 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   38 and  name HA    ) ( segid "AAAA" and resid   38 and  name HD#  ) 4.0 2.2 2.0
assign ( segid "AAAA" and resid   38 and  name HA    ) ( segid "AAAA" and resid   38 and  name HE#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   38 and  name HN    ) ( segid "AAAA" and resid   38 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "AAAA" and resid   42 and  name HA    ) ( segid "AAAA" and resid   38 and  name HD#  ) 5.0 3.2 2.0
assign ( segid "AAAA" and resid   35 and  name HA    ) ( segid "AAAA" and resid   38 and  name HD#  ) 5.0 3.2 2.0
assign ( segid "AAAA" and resid   67 and  name HG#   ) ( segid "AAAA" and resid   38 and  name HD#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   67 and  name HG#   ) ( segid "AAAA" and resid   38 and  name HE#  ) 6.5 4.7 2.0
assign ( segid "AAAA" and resid   35 and  name HG#   ) ( segid "AAAA" and resid   38 and  name HD#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   35 and  name HG#   ) ( segid "AAAA" and resid   38 and  name HE#  ) 6.5 4.7 2.0
assign ( segid "AAAA" and resid   35 and  name HD#   ) ( segid "AAAA" and resid   38 and  name HD#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   35 and  name HD#   ) ( segid "AAAA" and resid   38 and  name HE#  ) 6.5 4.7 2.0
assign ( segid "AAAA" and resid   65 and  name HG#   ) ( segid "AAAA" and resid   38 and  name HD#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   65 and  name HG#   ) ( segid "AAAA" and resid   38 and  name HE#  ) 6.5 4.7 2.0
assign ( segid "AAAA" and resid   35 and  name HG#   ) ( segid "AAAA" and resid   38 and  name HN   ) 6.5 4.7 2.0
assign ( segid "AAAA" and resid   34 and  name HN    ) ( segid "AAAA" and resid   38 and  name HN   ) 6.5 4.7 0.5
!K39
assign ( segid "AAAA" and resid   38 and  name HA    ) ( segid "AAAA" and resid   39 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   39 and  name HA    ) ( segid "AAAA" and resid   39 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   39 and  name HB#   ) ( segid "AAAA" and resid   39 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   39 and  name HG#   ) ( segid "AAAA" and resid   39 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   38 and  name HD#   ) ( segid "AAAA" and resid   39 and  name HN   ) 5.5 3.7 1.5
assign ( segid "AAAA" and resid   38 and  name HN    ) ( segid "AAAA" and resid   39 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   38 and  name HB#   ) ( segid "AAAA" and resid   39 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   38 and  name HD#   ) ( segid "AAAA" and resid   39 and  name HN   ) 5.0 3.2 2.0
!E40
assign ( segid "AAAA" and resid   39 and  name HA    ) ( segid "AAAA" and resid   40 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   40 and  name HA    ) ( segid "AAAA" and resid   40 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   40 and  name HB#   ) ( segid "AAAA" and resid   40 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   40 and  name HG#   ) ( segid "AAAA" and resid   40 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   39 and  name HB#   ) ( segid "AAAA" and resid   40 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   39 and  name HG#   ) ( segid "AAAA" and resid   40 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   39 and  name HN    ) ( segid "AAAA" and resid   40 and  name HN   ) 4.0 2.2 0.5
!L41
assign ( segid "AAAA" and resid   40 and  name HA    ) ( segid "AAAA" and resid   41 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   41 and  name HA    ) ( segid "AAAA" and resid   41 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   40 and  name HB#   ) ( segid "AAAA" and resid   41 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   40 and  name HG#   ) ( segid "AAAA" and resid   41 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   41 and  name HB#   ) ( segid "AAAA" and resid   41 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   41 and  name HG#   ) ( segid "AAAA" and resid   41 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   41 and  name HN    ) ( segid "AAAA" and resid   40 and  name HN   ) 4.0 2.2 0.5
!A42
assign ( segid "AAAA" and resid   41 and  name HA    ) ( segid "AAAA" and resid   42 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   42 and  name HA    ) ( segid "AAAA" and resid   42 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   42 and  name HB*   ) ( segid "AAAA" and resid   42 and  name HN   ) 4.0 2.2 1.5
!assign ( segid "AAAA" and resid   40 and  name HA    ) ( segid "AAAA" and resid   42 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   41 and  name HB#   ) ( segid "AAAA" and resid   42 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   41 and  name HG#   ) ( segid "AAAA" and resid   42 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   41 and  name HN    ) ( segid "AAAA" and resid   42 and  name HN   ) 4.0 2.2 0.5
!T43
assign ( segid "AAAA" and resid   42 and  name HA    ) ( segid "AAAA" and resid   43 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   43 and  name HA    ) ( segid "AAAA" and resid   43 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   43 and  name HB    ) ( segid "AAAA" and resid   43 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   43 and  name HG*   ) ( segid "AAAA" and resid   43 and  name HN   ) 4.0 2.2 1.5
assign ( segid "AAAA" and resid   42 and  name HB*   ) ( segid "AAAA" and resid   43 and  name HN   ) 4.0 2.2 1.5
assign ( segid "AAAA" and resid   42 and  name HN    ) ( segid "AAAA" and resid   43 and  name HN   ) 4.0 2.2 0.5
!Q44
assign ( segid "AAAA" and resid   43 and  name HA    ) ( segid "AAAA" and resid   44 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   44 and  name HA    ) ( segid "AAAA" and resid   44 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   44 and  name HB#   ) ( segid "AAAA" and resid   44 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   44 and  name HG#   ) ( segid "AAAA" and resid   44 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   43 and  name HB    ) ( segid "AAAA" and resid   44 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   43 and  name HG*   ) ( segid "AAAA" and resid   44 and  name HN   ) 4.0 2.2 1.5
assign ( segid "AAAA" and resid   44 and  name HN    ) ( segid "AAAA" and resid   43 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   44 and  name HB#   ) ( segid "AAAA" and resid   44 and  name HE#  ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   44 and  name HG#   ) ( segid "AAAA" and resid   44 and  name HE#  ) 4.0 2.2 1.0
!Q45
assign ( segid "AAAA" and resid   44 and  name HA    ) ( segid "AAAA" and resid   44 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   45 and  name HA    ) ( segid "AAAA" and resid   45 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   44 and  name HB#   ) ( segid "AAAA" and resid   45 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   44 and  name HG#   ) ( segid "AAAA" and resid   45 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   45 and  name HB#   ) ( segid "AAAA" and resid   45 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   45 and  name HG#   ) ( segid "AAAA" and resid   45 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   45 and  name HB#   ) ( segid "AAAA" and resid   45 and  name HE#  ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   45 and  name HG#   ) ( segid "AAAA" and resid   45 and  name HE#  ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   44 and  name HN    ) ( segid "AAAA" and resid   45 and  name HN   ) 4.0 2.2 0.5
!L46
assign ( segid "AAAA" and resid   45 and  name HA    ) ( segid "AAAA" and resid   46 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   46 and  name HB#   ) ( segid "AAAA" and resid   46 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   46 and  name HG#   ) ( segid "AAAA" and resid   46 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   45 and  name HB#   ) ( segid "AAAA" and resid   45 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   45 and  name HG#   ) ( segid "AAAA" and resid   45 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   45 and  name HB#   ) ( segid "AAAA" and resid   46 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   45 and  name HG#   ) ( segid "AAAA" and resid   46 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   48 and  name HB#   ) ( segid "AAAA" and resid   46 and  name HN   ) 5.0 3.2 1.0
!H48
assign ( segid "AAAA" and resid   47 and  name HA    ) ( segid "AAAA" and resid   48 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   48 and  name HA    ) ( segid "AAAA" and resid   48 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   48 and  name HB#   ) ( segid "AAAA" and resid   48 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   47 and  name HB#   ) ( segid "AAAA" and resid   48 and  name HN   ) 4.5 2.7 1.0
!L49
assign ( segid "AAAA" and resid   48 and  name HA    ) ( segid "AAAA" and resid   49 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   49 and  name HA    ) ( segid "AAAA" and resid   49 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   49 and  name HB#   ) ( segid "AAAA" and resid   49 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   49 and  name HG#   ) ( segid "AAAA" and resid   49 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   48 and  name HB#   ) ( segid "AAAA" and resid   49 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   48 and  name HN    ) ( segid "AAAA" and resid   49 and  name HN   ) 4.0 2.2 0.5
!L50
assign ( segid "AAAA" and resid   49 and  name HA    ) ( segid "AAAA" and resid   50 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   50 and  name HA    ) ( segid "AAAA" and resid   50 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   50 and  name HB#   ) ( segid "AAAA" and resid   50 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   50 and  name HG#   ) ( segid "AAAA" and resid   50 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   49 and  name HB#   ) ( segid "AAAA" and resid   50 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   49 and  name HG#   ) ( segid "AAAA" and resid   50 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   49 and  name HN    ) ( segid "AAAA" and resid   50 and  name HN   ) 4.0 2.2 0.5
!K51
assign ( segid "AAAA" and resid   50 and  name HA    ) ( segid "AAAA" and resid   51 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   51 and  name HB#   ) ( segid "AAAA" and resid   51 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   51 and  name HG#   ) ( segid "AAAA" and resid   51 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   50 and  name HB#   ) ( segid "AAAA" and resid   51 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   50 and  name HG#   ) ( segid "AAAA" and resid   51 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   51 and  name HD#   ) ( segid "AAAA" and resid   51 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   51 and  name HN    ) ( segid "AAAA" and resid   50 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   51 and  name HA    ) ( segid "AAAA" and resid   51 and  name HN   ) 4.0 2.2 0.5
!D52
assign ( segid "AAAA" and resid   51 and  name HA    ) ( segid "AAAA" and resid   52 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   52 and  name HA    ) ( segid "AAAA" and resid   52 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   52 and  name HB#   ) ( segid "AAAA" and resid   52 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   51 and  name HN    ) ( segid "AAAA" and resid   52 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   51 and  name HB#   ) ( segid "AAAA" and resid   52 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   51 and  name HG#   ) ( segid "AAAA" and resid   52 and  name HN   ) 4.5 2.7 1.0
!V53
assign ( segid "AAAA" and resid   52 and  name HA    ) ( segid "AAAA" and resid   53 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   53 and  name HA    ) ( segid "AAAA" and resid   53 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   53 and  name HB    ) ( segid "AAAA" and resid   53 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   53 and  name HG*   ) ( segid "AAAA" and resid   53 and  name HN   ) 4.5 2.7 1.5
assign ( segid "AAAA" and resid   52 and  name HB#   ) ( segid "AAAA" and resid   53 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   52 and  name HN    ) ( segid "AAAA" and resid   53 and  name HN   ) 4.0 2.2 0.5
!G54
assign ( segid "AAAA" and resid   53 and  name HA    ) ( segid "AAAA" and resid   54 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   54 and  name HA#   ) ( segid "AAAA" and resid   54 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   53 and  name HB    ) ( segid "AAAA" and resid   54 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   53 and  name HG*   ) ( segid "AAAA" and resid   54 and  name HN   ) 4.0 2.2 1.5
assign ( segid "AAAA" and resid   54 and  name HN    ) ( segid "AAAA" and resid   53 and  name HN   ) 4.0 2.2 0.5

!S55
assign ( segid "AAAA" and resid   54 and  name HA#   ) ( segid "AAAA" and resid   55 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   55 and  name HA    ) ( segid "AAAA" and resid   55 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   55 and  name HB#   ) ( segid "AAAA" and resid   55 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   53 and  name HG*   ) ( segid "AAAA" and resid   53 and  name HN   ) 4.5 2.7 1.5
assign ( segid "AAAA" and resid   54 and  name HN    ) ( segid "AAAA" and resid   55 and  name HN   ) 4.0 2.2 0.5
!D57
assign ( segid "AAAA" and resid   56 and  name HA    ) ( segid "AAAA" and resid   57 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   57 and  name HA    ) ( segid "AAAA" and resid   57 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   57 and  name HB#   ) ( segid "AAAA" and resid   57 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   56 and  name HB#   ) ( segid "AAAA" and resid   57 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   56 and  name HG*   ) ( segid "AAAA" and resid   57 and  name HN   ) 4.5 2.7 1.5
assign ( segid "AAAA" and resid   56 and  name HN    ) ( segid "AAAA" and resid   57 and  name HN   ) 4.0 2.2 0.5
!E58
assign ( segid "AAAA" and resid   57 and  name HA    ) ( segid "AAAA" and resid   58 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   58 and  name HA    ) ( segid "AAAA" and resid   58 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   58 and  name HB#   ) ( segid "AAAA" and resid   58 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   58 and  name HG#   ) ( segid "AAAA" and resid   58 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   57 and  name HB#   ) ( segid "AAAA" and resid   58 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   58 and  name HN    ) ( segid "AAAA" and resid   57 and  name HN   ) 4.0 2.2 0.5
!K59
assign ( segid "AAAA" and resid   58 and  name HA    ) ( segid "AAAA" and resid   59 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   59 and  name HA    ) ( segid "AAAA" and resid   59 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   59 and  name HB#   ) ( segid "AAAA" and resid   59 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   59 and  name HG#   ) ( segid "AAAA" and resid   59 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   58 and  name HB#   ) ( segid "AAAA" and resid   58 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   58 and  name HG#   ) ( segid "AAAA" and resid   58 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   58 and  name HN    ) ( segid "AAAA" and resid   59 and  name HN   ) 4.0 2.2 0.5
!M60
assign ( segid "AAAA" and resid   59 and  name HA    ) ( segid "AAAA" and resid   60 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   60 and  name HA    ) ( segid "AAAA" and resid   60 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   60 and  name HB#   ) ( segid "AAAA" and resid   60 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   60 and  name HG#   ) ( segid "AAAA" and resid   60 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   59 and  name HB#   ) ( segid "AAAA" and resid   60 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   59 and  name HG#   ) ( segid "AAAA" and resid   60 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   60 and  name HN    ) ( segid "AAAA" and resid   59 and  name HN   ) 4.0 2.2 0.5
!K61
assign ( segid "AAAA" and resid   60 and  name HA    ) ( segid "AAAA" and resid   61 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   61 and  name HA    ) ( segid "AAAA" and resid   61 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   61 and  name HB#   ) ( segid "AAAA" and resid   61 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   61 and  name HG#   ) ( segid "AAAA" and resid   61 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   60 and  name HB#   ) ( segid "AAAA" and resid   61 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   60 and  name HG#   ) ( segid "AAAA" and resid   61 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   60 and  name HN    ) ( segid "AAAA" and resid   61 and  name HN   ) 4.0 2.2 0.5
!T62
assign ( segid "AAAA" and resid   61 and  name HA    ) ( segid "AAAA" and resid   62 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   62 and  name HA    ) ( segid "AAAA" and resid   62 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   62 and  name HB    ) ( segid "AAAA" and resid   62 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   62 and  name HG*   ) ( segid "AAAA" and resid   62 and  name HN   ) 4.0 2.2 1.5
assign ( segid "AAAA" and resid   61 and  name HB#   ) ( segid "AAAA" and resid   61 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   61 and  name HG#   ) ( segid "AAAA" and resid   61 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   62 and  name HN    ) ( segid "AAAA" and resid   61 and  name HN   ) 4.0 2.2 0.5
!L63
assign ( segid "AAAA" and resid   62 and  name HA    ) ( segid "AAAA" and resid   63 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   63 and  name HB#   ) ( segid "AAAA" and resid   63 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   63 and  name HG    ) ( segid "AAAA" and resid   63 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   63 and  name HA    ) ( segid "AAAA" and resid   63 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   63 and  name HD*   ) ( segid "AAAA" and resid   63 and  name HN   ) 4.5 2.7 1.5
assign ( segid "AAAA" and resid   62 and  name HB    ) ( segid "AAAA" and resid   63 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   62 and  name HN    ) ( segid "AAAA" and resid   63 and  name HN   ) 4.0 2.2 0.5
!D64
assign ( segid "AAAA" and resid   63 and  name HA    ) ( segid "AAAA" and resid   64 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   63 and  name HB#   ) ( segid "AAAA" and resid   64 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   63 and  name HG    ) ( segid "AAAA" and resid   64 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   64 and  name HA    ) ( segid "AAAA" and resid   64 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   63 and  name HD*   ) ( segid "AAAA" and resid   64 and  name HN   ) 4.5 2.7 1.5
assign ( segid "AAAA" and resid   64 and  name HB#   ) ( segid "AAAA" and resid   64 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   64 and  name HN    ) ( segid "AAAA" and resid   63 and  name HN   ) 4.0 2.2 0.5
!V65
assign ( segid "AAAA" and resid   64 and  name HA    ) ( segid "AAAA" and resid   65 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   65 and  name HA    ) ( segid "AAAA" and resid   65 and  name HB   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   65 and  name HB    ) ( segid "AAAA" and resid   65 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   65 and  name HG*   ) ( segid "AAAA" and resid   65 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   64 and  name HB#   ) ( segid "AAAA" and resid   65 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   64 and  name HN    ) ( segid "AAAA" and resid   65 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   65 and  name HG*   ) ( segid "AAAA" and resid   78 and  name HG*  ) 6.5 4.7 1.0
assign ( segid "BBBB" and resid   65 and  name HG*   ) ( segid "BBBB" and resid   78 and  name HG*  ) 6.5 4.7 1.0

!N66
assign ( segid "AAAA" and resid   65 and  name HA    ) ( segid "AAAA" and resid   66 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   66 and  name HA    ) ( segid "AAAA" and resid   66 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   66 and  name HB#   ) ( segid "AAAA" and resid   66 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   64 and  name HB#   ) ( segid "AAAA" and resid   65 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   66 and  name HN    ) ( segid "AAAA" and resid   65 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   66 and  name HB#   ) ( segid "AAAA" and resid   66 and  name HD#  ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   66 and  name HN    ) ( segid "AAAA" and resid   65 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   66 and  name HB#   ) ( segid "AAAA" and resid   78 and  name HD#  ) 6.0 4.2 1.0
assign ( segid "AAAA" and resid   66 and  name HB#   ) ( segid "AAAA" and resid   78 and  name HB#  ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   66 and  name HB#   ) ( segid "BBBB" and resid   78 and  name HD#  ) 6.0 4.2 1.0
assign ( segid "BBBB" and resid   66 and  name HB#   ) ( segid "BBBB" and resid   78 and  name HB#  ) 5.0 3.2 1.0
!Q67
assign ( segid "AAAA" and resid   66 and  name HA    ) ( segid "AAAA" and resid   67 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   67 and  name HA    ) ( segid "AAAA" and resid   67 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   66 and  name HB#   ) ( segid "AAAA" and resid   67 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   66 and  name HB#   ) ( segid "AAAA" and resid   67 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   66 and  name HB#   ) ( segid "AAAA" and resid   67 and  name HE#  ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   66 and  name HB#   ) ( segid "AAAA" and resid   67 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   67 and  name HB#   ) ( segid "AAAA" and resid   78 and  name HD#  ) 6.0 4.2 1.0
assign ( segid "AAAA" and resid   67 and  name HB#   ) ( segid "AAAA" and resid   78 and  name HB#  ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   67 and  name HB#   ) ( segid "BBBB" and resid   78 and  name HD#  ) 6.0 4.2 1.0
assign ( segid "BBBB" and resid   67 and  name HB#   ) ( segid "BBBB" and resid   78 and  name HB#  ) 5.0 3.2 1.0
!D68
assign ( segid "AAAA" and resid   67 and  name HA    ) ( segid "AAAA" and resid   68 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   68 and  name HA    ) ( segid "AAAA" and resid   68 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   66 and  name HB#   ) ( segid "AAAA" and resid   68 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   68 and  name HB#   ) ( segid "AAAA" and resid   68 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   67 and  name HN    ) ( segid "AAAA" and resid   68 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   68 and  name HB#   ) ( segid "AAAA" and resid   79 and  name HG#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   68 and  name HB#   ) ( segid "AAAA" and resid   79 and  name HB#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   68 and  name HB#   ) ( segid "BBBB" and resid   79 and  name HG#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   68 and  name HB#   ) ( segid "BBBB" and resid   79 and  name HB#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   68 and  name HB#   ) ( segid "AAAA" and resid   76 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   68 and  name HB#   ) ( segid "AAAA" and resid   76 and  name HE#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   68 and  name HB#   ) ( segid "BBBB" and resid   76 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   68 and  name HB#   ) ( segid "BBBB" and resid   76 and  name HE#  ) 6.0 4.2 2.0

!S69
assign ( segid "AAAA" and resid   68 and  name HA    ) ( segid "AAAA" and resid   69 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   69 and  name HA    ) ( segid "AAAA" and resid   69 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   69 and  name HB#   ) ( segid "AAAA" and resid   69 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   66 and  name HA    ) ( segid "AAAA" and resid   69 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   68 and  name HB#   ) ( segid "AAAA" and resid   69 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   35 and  name HD*   ) ( segid "AAAA" and resid   69 and  name HN   ) 5.5 3.7 1.5
assign ( segid "AAAA" and resid   69 and  name HN    ) ( segid "AAAA" and resid   68 and  name HN   ) 3.5 1.7 0.5
assign ( segid "AAAA" and resid   69 and  name HB#   ) ( segid "AAAA" and resid   76 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   69 and  name HB#   ) ( segid "AAAA" and resid   76 and  name HE#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   69 and  name HB#   ) ( segid "BBBB" and resid   76 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   69 and  name HB#   ) ( segid "BBBB" and resid   76 and  name HE#  ) 6.0 4.2 2.0



!E70
assign ( segid "AAAA" and resid   70 and  name HA    ) ( segid "AAAA" and resid   70 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   69 and  name HA    ) ( segid "AAAA" and resid   70 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   70 and  name HG#   ) ( segid "AAAA" and resid   70 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   70 and  name HB#   ) ( segid "AAAA" and resid   70 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   69 and  name HN    ) ( segid "AAAA" and resid   70 and  name HN   ) 3.5 1.7 0.5
assign ( segid "AAAA" and resid   33 and  name HG    ) ( segid "AAAA" and resid   70 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   34 and  name HA    ) ( segid "AAAA" and resid   70 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   67 and  name HA    ) ( segid "AAAA" and resid   70 and  name HN   ) 5.5 3.7 0.5
assign ( segid "AAAA" and resid   34 and  name HB#   ) ( segid "AAAA" and resid   70 and  name HN   ) 6.0 4.2 1.0
assign ( segid "AAAA" and resid   69 and  name HB#   ) ( segid "AAAA" and resid   70 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   68 and  name HN    ) ( segid "AAAA" and resid   70 and  name HN   ) 4.5 2.7 0.5
!L71
assign ( segid "AAAA" and resid   70 and  name HA    ) ( segid "AAAA" and resid   71 and  name HN   ) 3.0 1.2 0.5
assign ( segid "AAAA" and resid   71 and  name HA    ) ( segid "AAAA" and resid   71 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   32 and  name HB#   ) ( segid "AAAA" and resid   71 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   33 and  name HN    ) ( segid "AAAA" and resid   71 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   71 and  name HN    ) ( segid "AAAA" and resid   70 and  name HN   ) 5.5 3.7 0.5
assign ( segid "AAAA" and resid   71 and  name HG    ) ( segid "AAAA" and resid   71 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   71 and  name HB#   ) ( segid "AAAA" and resid   71 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   70 and  name HG#   ) ( segid "AAAA" and resid   71 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   70 and  name HB#   ) ( segid "AAAA" and resid   71 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   71 and  name HD#   ) ( segid "AAAA" and resid   71 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid   32 and  name HB#   ) ( segid "AAAA" and resid   71 and  name HN   ) 5.5 3.7 1.0
assign ( segid "AAAA" and resid   31 and  name HA#   ) ( segid "AAAA" and resid   71 and  name HA   ) 4.5 2.7 1.0
!R72
assign ( segid "AAAA" and resid   71 and  name HA    ) ( segid "AAAA" and resid   72 and  name HN   ) 3.0 1.2 0.5
assign ( segid "AAAA" and resid   72 and  name HA    ) ( segid "AAAA" and resid   72 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   72 and  name HB#   ) ( segid "AAAA" and resid   72 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   72 and  name HG#   ) ( segid "AAAA" and resid   72 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   71 and  name HB#   ) ( segid "AAAA" and resid   72 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   72 and  name HD*   ) ( segid "AAAA" and resid   72 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid   71 and  name HG    ) ( segid "AAAA" and resid   71 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   71 and  name HD*   ) ( segid "AAAA" and resid   71 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid   72 and  name HA    ) ( segid "AAAA" and resid   32 and  name HA   ) 5.5 3.7 0.5
assign ( segid "AAAA" and resid   75 and  name HG#   ) ( segid "AAAA" and resid   72 and  name HN   ) 6.0 4.2 1.0
assign ( segid "AAAA" and resid   33 and  name HD*   ) ( segid "AAAA" and resid   72 and  name HN   ) 5.0 3.2 2.0

!F73
assign ( segid "AAAA" and resid   72 and  name HA    ) ( segid "AAAA" and resid   73 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   73 and  name HA    ) ( segid "AAAA" and resid   73 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   73 and  name HB#   ) ( segid "AAAA" and resid   73 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   73 and  name HD#   ) ( segid "AAAA" and resid   73 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   73 and  name HA    ) ( segid "AAAA" and resid   73 and  name HD#  ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   33 and  name HA    ) ( segid "AAAA" and resid   73 and  name HD#  ) 6.0 4.2 1.0
assign ( segid "AAAA" and resid   71 and  name HA    ) ( segid "AAAA" and resid   73 and  name HD#  ) 6.5 4.7 1.0
assign ( segid "AAAA" and resid   73 and  name HB#   ) ( segid "AAAA" and resid   73 and  name HD#  ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   33 and  name HD#   ) ( segid "AAAA" and resid   73 and  name HD#  ) 5.0 3.2 2.0
assign ( segid "AAAA" and resid   72 and  name HG#   ) ( segid "AAAA" and resid   73 and  name HD#  ) 5.0 3.2 2.0
assign ( segid "AAAA" and resid   72 and  name HG#   ) ( segid "AAAA" and resid   73 and  name HE#  ) 5.0 3.2 2.0
assign ( segid "AAAA" and resid   70 and  name HB#   ) ( segid "AAAA" and resid   73 and  name HD#  ) 6.5 4.7 2.0
assign ( segid "AAAA" and resid   70 and  name HB#   ) ( segid "AAAA" and resid   73 and  name HE#  ) 5.0 3.2 2.0
assign ( segid "AAAA" and resid   73 and  name HA    ) ( segid "AAAA" and resid   73 and  name HE#  ) 5.0 3.2 2.0
assign ( segid "AAAA" and resid   73 and  name HB#   ) ( segid "AAAA" and resid   73 and  name HE#  ) 4.0 2.2 2.0
assign ( segid "AAAA" and resid   72 and  name HB#   ) ( segid "AAAA" and resid   73 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   72 and  name HG#   ) ( segid "AAAA" and resid   73 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   72 and  name HD*   ) ( segid "AAAA" and resid   73 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid   72 and  name HN    ) ( segid "AAAA" and resid   73 and  name HN   ) 5.5 3.7 0.5
assign ( segid "AAAA" and resid   75 and  name HG#   ) ( segid "AAAA" and resid   73 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   73 and  name HB#   ) ( segid "AAAA" and resid   75 and  name HN   ) 5.5 3.7 1.0
assign ( segid "AAAA" and resid   73 and  name HD#   ) ( segid "AAAA" and resid   71 and  name HA   ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   73 and  name HD#   ) ( segid "AAAA" and resid   32 and  name HA   ) 6.5 4.7 2.0
assign ( segid "AAAA" and resid   73 and  name HD#   ) ( segid "AAAA" and resid   74 and  name HA   ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   76 and  name HD#   ) ( segid "AAAA" and resid   73 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   76 and  name HD#   ) ( segid "AAAA" and resid   73 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   76 and  name HE#   ) ( segid "AAAA" and resid   73 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   76 and  name HE#   ) ( segid "AAAA" and resid   73 and  name HE#  ) 5.5 3.7 2.0

!S74
assign ( segid "AAAA" and resid   73 and  name HA    ) ( segid "AAAA" and resid   74 and  name HN   ) 3.5 1.7 0.5
assign ( segid "AAAA" and resid   75 and  name HG#   ) ( segid "AAAA" and resid   74 and  name HN   ) 5.5 3.7 1.0
assign ( segid "AAAA" and resid   74 and  name HA    ) ( segid "AAAA" and resid   74 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   74 and  name HB#   ) ( segid "AAAA" and resid   74 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   73 and  name HN    ) ( segid "AAAA" and resid   74 and  name HN   ) 5.5 3.7 0.5
assign ( segid "AAAA" and resid   73 and  name HD#   ) ( segid "AAAA" and resid   74 and  name HN   ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   73 and  name HB#   ) ( segid "AAAA" and resid   74 and  name HN   ) 4.5 3.7 1.0
assign ( segid "AAAA" and resid   75 and  name HG#   ) ( segid "AAAA" and resid   74 and  name HN   ) 4.5 2.7 1.0
!E75
assign ( segid "AAAA" and resid   74 and  name HA    ) ( segid "AAAA" and resid   75 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   74 and  name HA    ) ( segid "AAAA" and resid   75 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   75 and  name HB#   ) ( segid "AAAA" and resid   75 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   75 and  name HG#   ) ( segid "AAAA" and resid   75 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   74 and  name HN    ) ( segid "AAAA" and resid   75 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   75 and  name HN    ) ( segid "AAAA" and resid   76 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   73 and  name HB#   ) ( segid "AAAA" and resid   75 and  name HN   ) 5.5 3.7 1.0
assign ( segid "AAAA" and resid   75 and  name HG#   ) ( segid "AAAA" and resid   70 and  name HG#  ) 5.5 3.7 1.0
assign ( segid "AAAA" and resid   75 and  name HB#   ) ( segid "AAAA" and resid   70 and  name HG#  ) 5.5 3.7 1.0
assign ( segid "BBBB" and resid   75 and  name HG#   ) ( segid "BBBB" and resid   70 and  name HG#  ) 5.5 3.7 1.0
assign ( segid "BBBB" and resid   75 and  name HB#   ) ( segid "BBBB" and resid   70 and  name HG#  ) 5.5 3.7 1.0

!Y76
assign ( segid "AAAA" and resid   75 and  name HA    ) ( segid "AAAA" and resid   76 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   76 and  name HA    ) ( segid "AAAA" and resid   76 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   76 and  name HB#   ) ( segid "AAAA" and resid   76 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   76 and  name HD#   ) ( segid "AAAA" and resid   76 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   76 and  name HA    ) ( segid "AAAA" and resid   76 and  name HD#  ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   76 and  name HB#   ) ( segid "AAAA" and resid   76 and  name HD#  ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   76 and  name HA    ) ( segid "AAAA" and resid   76 and  name HE#  ) 5.0 3.2 2.0
assign ( segid "AAAA" and resid   76 and  name HB#   ) ( segid "AAAA" and resid   76 and  name HE#  ) 4.0 2.2 2.0
assign ( segid "AAAA" and resid   75 and  name HB#   ) ( segid "AAAA" and resid   76 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   75 and  name HG#   ) ( segid "AAAA" and resid   76 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   76 and  name HN    ) ( segid "AAAA" and resid   75 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   76 and  name HA    ) ( segid "AAAA" and resid   79 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   76 and  name HB#   ) ( segid "AAAA" and resid   70 and  name HG#  ) 6.0 4.2 1.0


!W77
assign ( segid "AAAA" and resid   76 and  name HA    ) ( segid "AAAA" and resid   77 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   77 and  name HA    ) ( segid "AAAA" and resid   77 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   77 and  name HB#   ) ( segid "AAAA" and resid   77 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   77 and  name HD1   ) ( segid "AAAA" and resid   77 and  name HB#  ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   77 and  name HD1   ) ( segid "AAAA" and resid   77 and  name HN   ) 5.5 3.7 0.5
assign ( segid "AAAA" and resid   77 and  name HD1   ) ( segid "AAAA" and resid   77 and  name HA   ) 5.5 3.7 0.5
assign ( segid "AAAA" and resid   76 and  name HB#   ) ( segid "AAAA" and resid   77 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   74 and  name HA    ) ( segid "AAAA" and resid   77 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   74 and  name HB#   ) ( segid "AAAA" and resid   77 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   76 and  name HN    ) ( segid "AAAA" and resid   77 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   78 and  name HA    ) ( segid "AAAA" and resid   77 and  name HD1  ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   78 and  name HG#   ) ( segid "AAAA" and resid   77 and  name HD1  ) 6.0 4.2 1.0
assign ( segid "AAAA" and resid   77 and  name HH2   ) ( segid "AAAA" and resid   76 and  name HB#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   77 and  name HZ3   ) ( segid "AAAA" and resid   75 and  name HA   ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   77 and  name HZ3   ) ( segid "AAAA" and resid   76 and  name HB#  ) 4.0 2.2 2.0
assign ( segid "AAAA" and resid   77 and  name HZ3   ) ( segid "AAAA" and resid   75 and  name HG#  ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid   78 and  name HG#   ) ( segid "AAAA" and resid   77 and  name HZ3  ) 6.0 4.2 1.0
assign ( segid "AAAA" and resid   76 and  name HE#   ) ( segid "AAAA" and resid   77 and  name HN   ) 6.5 4.7 2.0
assign ( segid "AAAA" and resid   77 and  name HE3   ) ( segid "AAAA" and resid   77 and  name HN   ) 6.0 4.2 2.0

!R78
assign ( segid "AAAA" and resid   77 and  name HA    ) ( segid "AAAA" and resid   78 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   78 and  name HA    ) ( segid "AAAA" and resid   78 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   77 and  name HB#   ) ( segid "AAAA" and resid   78 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   78 and  name HN    ) ( segid "AAAA" and resid   77 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   75 and  name HA    ) ( segid "AAAA" and resid   78 and  name HB#  ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   78 and  name HB#   ) ( segid "AAAA" and resid   78 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   78 and  name HG#   ) ( segid "AAAA" and resid   78 and  name HN   ) 5.0 3.2 0.5
!L79
assign ( segid "AAAA" and resid   78 and  name HA    ) ( segid "AAAA" and resid   79 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   79 and  name HA    ) ( segid "AAAA" and resid   79 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   79 and  name HB#   ) ( segid "AAAA" and resid   79 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   79 and  name HG    ) ( segid "AAAA" and resid   79 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   79 and  name HD#   ) ( segid "AAAA" and resid   79 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   78 and  name HB#   ) ( segid "AAAA" and resid   79 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   78 and  name HG#   ) ( segid "AAAA" and resid   79 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   78 and  name HN    ) ( segid "AAAA" and resid   79 and  name HN   ) 4.0 2.2 0.5
!I80
assign ( segid "AAAA" and resid   79 and  name HA    ) ( segid "AAAA" and resid   80 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   80 and  name HA    ) ( segid "AAAA" and resid   80 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   80 and  name HB    ) ( segid "AAAA" and resid   80 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   80 and  name HG#   ) ( segid "AAAA" and resid   80 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   80 and  name HD#   ) ( segid "AAAA" and resid   80 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   79 and  name HB#   ) ( segid "AAAA" and resid   80 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   79 and  name HG    ) ( segid "AAAA" and resid   80 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   79 and  name HD#   ) ( segid "AAAA" and resid   80 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   80 and  name HN    ) ( segid "AAAA" and resid   79 and  name HN   ) 4.0 2.2 0.5
!G81
assign ( segid "AAAA" and resid   80 and  name HA    ) ( segid "AAAA" and resid   81 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   81 and  name HA#   ) ( segid "AAAA" and resid   81 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   80 and  name HB#   ) ( segid "AAAA" and resid   80 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   80 and  name HD#   ) ( segid "AAAA" and resid   80 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   80 and  name HN    ) ( segid "AAAA" and resid   81 and  name HN   ) 4.0 2.2 0.5
!E82
assign ( segid "AAAA" and resid   81 and  name HA#   ) ( segid "AAAA" and resid   82 and  name HN   ) 4.5 2.7 1.0
assign ( segid "AAAA" and resid   82 and  name HA    ) ( segid "AAAA" and resid   82 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   82 and  name HB#   ) ( segid "AAAA" and resid   82 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   82 and  name HG#   ) ( segid "AAAA" and resid   82 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   82 and  name HN    ) ( segid "AAAA" and resid   81 and  name HN   ) 4.0 2.2 0.5
!L83
assign ( segid "AAAA" and resid   82 and  name HA    ) ( segid "AAAA" and resid   83 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   83 and  name HA    ) ( segid "AAAA" and resid   83 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   83 and  name HB#   ) ( segid "AAAA" and resid   83 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   83 and  name HG    ) ( segid "AAAA" and resid   83 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   83 and  name HD#   ) ( segid "AAAA" and resid   83 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   82 and  name HB#   ) ( segid "AAAA" and resid   83 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   82 and  name HG#   ) ( segid "AAAA" and resid   83 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   82 and  name HN    ) ( segid "AAAA" and resid   83 and  name HN   ) 4.0 2.2 0.5
!A84
assign ( segid "AAAA" and resid   83 and  name HA    ) ( segid "AAAA" and resid   84 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   84 and  name HA    ) ( segid "AAAA" and resid   84 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   83 and  name HB#   ) ( segid "AAAA" and resid   84 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   83 and  name HG    ) ( segid "AAAA" and resid   84 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   83 and  name HD#   ) ( segid "AAAA" and resid   84 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   84 and  name HB*   ) ( segid "AAAA" and resid   84 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid   84 and  name HN    ) ( segid "AAAA" and resid   83 and  name HN   ) 4.0 2.2 0.5
!K85
assign ( segid "AAAA" and resid   84 and  name HA    ) ( segid "AAAA" and resid   85 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   85 and  name HA    ) ( segid "AAAA" and resid   85 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   85 and  name HB#   ) ( segid "AAAA" and resid   85 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   85 and  name HG#   ) ( segid "AAAA" and resid   85 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   85 and  name HD#   ) ( segid "AAAA" and resid   85 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   84 and  name HB*   ) ( segid "AAAA" and resid   85 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid   84 and  name HN    ) ( segid "AAAA" and resid   85 and  name HN   ) 4.0 2.2 0.5
!E86
assign ( segid "AAAA" and resid   85 and  name HA    ) ( segid "AAAA" and resid   86 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   86 and  name HA    ) ( segid "AAAA" and resid   86 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   86 and  name HB#   ) ( segid "AAAA" and resid   86 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   86 and  name HG#   ) ( segid "AAAA" and resid   86 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   85 and  name HD#   ) ( segid "AAAA" and resid   86 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   85 and  name HB#   ) ( segid "AAAA" and resid   86 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   85 and  name HG#   ) ( segid "AAAA" and resid   86 and  name HN   ) 5.0 3.2 1.0
!V87
assign ( segid "AAAA" and resid   86 and  name HA    ) ( segid "AAAA" and resid   87 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   87 and  name HA    ) ( segid "AAAA" and resid   87 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   87 and  name HB    ) ( segid "AAAA" and resid   87 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   87 and  name HG*   ) ( segid "AAAA" and resid   87 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid   86 and  name HB#   ) ( segid "AAAA" and resid   87 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   86 and  name HG#   ) ( segid "AAAA" and resid   87 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   86 and  name HN    ) ( segid "AAAA" and resid   87 and  name HN   ) 4.0 2.2 0.5
!R88
assign ( segid "AAAA" and resid   87 and  name HA    ) ( segid "AAAA" and resid   88 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   88 and  name HA    ) ( segid "AAAA" and resid   88 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   88 and  name HB#   ) ( segid "AAAA" and resid   88 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   88 and  name HG#   ) ( segid "AAAA" and resid   88 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   88 and  name HD#   ) ( segid "AAAA" and resid   88 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   87 and  name HB    ) ( segid "AAAA" and resid   87 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   87 and  name HG*   ) ( segid "AAAA" and resid   87 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid   88 and  name HN    ) ( segid "AAAA" and resid   87 and  name HN   ) 4.0 2.2 0.5

!K89
assign ( segid "AAAA" and resid   88 and  name HA    ) ( segid "AAAA" and resid   89 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   89 and  name HA    ) ( segid "AAAA" and resid   89 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   89 and  name HB#   ) ( segid "AAAA" and resid   89 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   89 and  name HG#   ) ( segid "AAAA" and resid   89 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   89 and  name HD#   ) ( segid "AAAA" and resid   89 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   88 and  name HB#   ) ( segid "AAAA" and resid   89 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   88 and  name HG#   ) ( segid "AAAA" and resid   89 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   88 and  name HD#   ) ( segid "AAAA" and resid   89 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   88 and  name HN    ) ( segid "AAAA" and resid   89 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   87 and  name HA    ) ( segid "AAAA" and resid   89 and  name HN   ) 4.5 2.7 0.5
!E90
assign ( segid "AAAA" and resid   89 and  name HA    ) ( segid "AAAA" and resid   90 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   90 and  name HA    ) ( segid "AAAA" and resid   90 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   90 and  name HB#   ) ( segid "AAAA" and resid   90 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   90 and  name HG#   ) ( segid "AAAA" and resid   90 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   89 and  name HB#   ) ( segid "AAAA" and resid   90 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   89 and  name HG#   ) ( segid "AAAA" and resid   90 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   89 and  name HD#   ) ( segid "AAAA" and resid   90 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   90 and  name HN    ) ( segid "AAAA" and resid   89 and  name HN   ) 4.0 2.2 0.5
!K91
assign ( segid "AAAA" and resid   90 and  name HA    ) ( segid "AAAA" and resid   91 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   91 and  name HA    ) ( segid "AAAA" and resid   91 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   91 and  name HB#   ) ( segid "AAAA" and resid   91 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   91 and  name HG#   ) ( segid "AAAA" and resid   91 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   91 and  name HD#   ) ( segid "AAAA" and resid   91 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   90 and  name HB#   ) ( segid "AAAA" and resid   91 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   90 and  name HG#   ) ( segid "AAAA" and resid   91 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   90 and  name HN    ) ( segid "AAAA" and resid   91 and  name HN   ) 4.0 2.2 0.5

!A92
assign ( segid "AAAA" and resid   91 and  name HA    ) ( segid "AAAA" and resid   92 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   92 and  name HA    ) ( segid "AAAA" and resid   92 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   92 and  name HB*   ) ( segid "AAAA" and resid   92 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid   91 and  name HB#   ) ( segid "AAAA" and resid   92 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   91 and  name HG#   ) ( segid "AAAA" and resid   92 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   91 and  name HD#   ) ( segid "AAAA" and resid   92 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   92 and  name HN    ) ( segid "AAAA" and resid   91 and  name HN   ) 4.0 2.2 0.5
!L93
assign ( segid "AAAA" and resid   92 and  name HA    ) ( segid "AAAA" and resid   93 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   93 and  name HA    ) ( segid "AAAA" and resid   93 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   93 and  name HB#   ) ( segid "AAAA" and resid   93 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   93 and  name HG    ) ( segid "AAAA" and resid   93 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   93 and  name HD#   ) ( segid "AAAA" and resid   93 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   92 and  name HB*   ) ( segid "AAAA" and resid   93 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid   92 and  name HN    ) ( segid "AAAA" and resid   93 and  name HN   ) 4.0 2.2 0.5
!G94
assign ( segid "AAAA" and resid   93 and  name HA    ) ( segid "AAAA" and resid   94 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   94 and  name HA#   ) ( segid "AAAA" and resid   94 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   93 and  name HB#   ) ( segid "AAAA" and resid   94 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   93 and  name HG    ) ( segid "AAAA" and resid   94 and  name HN   ) 5.0 3.2 0.5
assign ( segid "AAAA" and resid   93 and  name HD#   ) ( segid "AAAA" and resid   94 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   94 and  name HN    ) ( segid "AAAA" and resid   93 and  name HN   ) 4.0 2.2 0.5
!I95
assign ( segid "AAAA" and resid   94 and  name HA#   ) ( segid "AAAA" and resid   95 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   95 and  name HA    ) ( segid "AAAA" and resid   95 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   95 and  name HB    ) ( segid "AAAA" and resid   95 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   95 and  name HG*   ) ( segid "AAAA" and resid   95 and  name HN   ) 5.0 3.2 1.5
assign ( segid "AAAA" and resid   94 and  name HN    ) ( segid "AAAA" and resid   95 and  name HN   ) 4.0 2.2 0.5
!R96
assign ( segid "AAAA" and resid   95 and  name HA    ) ( segid "AAAA" and resid   96 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   96 and  name HA    ) ( segid "AAAA" and resid   96 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   96 and  name HB#   ) ( segid "AAAA" and resid   96 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   96 and  name HG#   ) ( segid "AAAA" and resid   96 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   96 and  name HD#   ) ( segid "AAAA" and resid   96 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   95 and  name HB    ) ( segid "AAAA" and resid   96 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   95 and  name HG*   ) ( segid "AAAA" and resid   96 and  name HN   ) 4.0 2.2 1.5
assign ( segid "AAAA" and resid   96 and  name HN    ) ( segid "AAAA" and resid   95 and  name HN   ) 4.0 2.2 0.5
!K97
assign ( segid "AAAA" and resid   96 and  name HA    ) ( segid "AAAA" and resid   97 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   97 and  name HA    ) ( segid "AAAA" and resid   97 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   97 and  name HB#   ) ( segid "AAAA" and resid   97 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   97 and  name HG#   ) ( segid "AAAA" and resid   97 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   97 and  name HD#   ) ( segid "AAAA" and resid   97 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   96 and  name HB#   ) ( segid "AAAA" and resid   97 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   96 and  name HG#   ) ( segid "AAAA" and resid   97 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   96 and  name HD#   ) ( segid "AAAA" and resid   97 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   96 and  name HN    ) ( segid "AAAA" and resid   97 and  name HN   ) 4.0 2.2 0.5
!K98
assign ( segid "AAAA" and resid   97 and  name HA    ) ( segid "AAAA" and resid   98 and  name HN   ) 4.5 2.7 0.5
assign ( segid "AAAA" and resid   98 and  name HA    ) ( segid "AAAA" and resid   98 and  name HN   ) 4.0 2.2 0.5
assign ( segid "AAAA" and resid   98 and  name HB#   ) ( segid "AAAA" and resid   98 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   98 and  name HG#   ) ( segid "AAAA" and resid   98 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   98 and  name HD#   ) ( segid "AAAA" and resid   98 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   97 and  name HB#   ) ( segid "AAAA" and resid   98 and  name HN   ) 4.0 2.2 1.0
assign ( segid "AAAA" and resid   97 and  name HG#   ) ( segid "AAAA" and resid   98 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   97 and  name HD#   ) ( segid "AAAA" and resid   98 and  name HN   ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   97 and  name HN    ) ( segid "AAAA" and resid   98 and  name HN   ) 4.0 2.2 0.5

!S100A13 NOE distance constraint table created by SIVA on 12th jan 2005
!M1
!A2
assign ( segid "BBBB" and resid    1 and  name HA    ) ( segid "BBBB" and resid    2 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid    2 and  name HA    ) ( segid "BBBB" and resid    2 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid    2 and  name HB*   ) ( segid "BBBB" and resid    2 and  name HN   ) 4.5 2.7 1.5
assign ( segid "BBBB" and resid    1 and  name HB#   ) ( segid "BBBB" and resid    2 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid    1 and  name HG#   ) ( segid "BBBB" and resid    2 and  name HN   ) 5.5 3.7 1.0

!A3
assign ( segid "BBBB" and resid    2 and  name HA    ) ( segid "BBBB" and resid    3 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid    3 and  name HA    ) ( segid "BBBB" and resid    3 and  name HN   ) 3.5 1.7 0.5
assign ( segid "BBBB" and resid    3 and  name HB*   ) ( segid "BBBB" and resid    3 and  name HN   ) 4.5 2.7 1.5
!E4
assign ( segid "BBBB" and resid    3 and  name HA    ) ( segid "BBBB" and resid    4 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid    4 and  name HA    ) ( segid "BBBB" and resid    4 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid    4 and  name HB#   ) ( segid "BBBB" and resid    4 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid    4 and  name HG#   ) ( segid "BBBB" and resid    4 and  name HN   ) 5.0 3.2 1.0
!T5
assign ( segid "BBBB" and resid    4 and  name HA    ) ( segid "BBBB" and resid    5 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid    5 and  name HA    ) ( segid "BBBB" and resid    5 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid    5 and  name HB    ) ( segid "BBBB" and resid    5 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid    5 and  name HG*   ) ( segid "BBBB" and resid    5 and  name HN   ) 4.5 2.7 1.5
assign ( segid "BBBB" and resid    4 and  name HB#   ) ( segid "BBBB" and resid    5 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid    4 and  name HG#   ) ( segid "BBBB" and resid    5 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid    3 and  name HB*   ) ( segid "BBBB" and resid    5 and  name HN   ) 4.5 2.7 1.5
!L6
assign ( segid "BBBB" and resid    5 and  name HA    ) ( segid "BBBB" and resid    6 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid    6 and  name HA    ) ( segid "BBBB" and resid    6 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid    6 and  name HG    ) ( segid "BBBB" and resid    6 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid    6 and  name HD#   ) ( segid "BBBB" and resid    6 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid    6 and  name HB#   ) ( segid "BBBB" and resid    6 and  name HN   ) 4.0 2.2 1.0
!T7
assign ( segid "BBBB" and resid    6 and  name HA    ) ( segid "BBBB" and resid    7 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid    7 and  name HA    ) ( segid "BBBB" and resid    7 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid    7 and  name HB    ) ( segid "BBBB" and resid    7 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid    7 and  name HG*   ) ( segid "BBBB" and resid    7 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid    6 and  name HB#   ) ( segid "BBBB" and resid    7 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid    6 and  name HD#   ) ( segid "BBBB" and resid    7 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid    6 and  name HG    ) ( segid "BBBB" and resid    7 and  name HN   ) 4.5 2.7 0.5
!E8
assign ( segid "BBBB" and resid    7 and  name HA    ) ( segid "BBBB" and resid    8 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid    8 and  name HA    ) ( segid "BBBB" and resid    8 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid    8 and  name HB#   ) ( segid "BBBB" and resid    8 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid    8 and  name HG#   ) ( segid "BBBB" and resid    8 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid    7 and  name HG*   ) ( segid "BBBB" and resid    8 and  name HN   ) 4.0 2.2 1.5
assign ( segid "BBBB" and resid    7 and  name HB    ) ( segid "BBBB" and resid    8 and  name HN   ) 4.0 2.2 0.5
!L9
assign ( segid "BBBB" and resid    8 and  name HA    ) ( segid "BBBB" and resid    9 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid    9 and  name HA    ) ( segid "BBBB" and resid    9 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid    9 and  name HB#   ) ( segid "BBBB" and resid    9 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid    9 and  name HG    ) ( segid "BBBB" and resid    9 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid    9 and  name HD#   ) ( segid "BBBB" and resid    9 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid    8 and  name HB#   ) ( segid "BBBB" and resid    9 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid    8 and  name HG#   ) ( segid "BBBB" and resid    9 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid    7 and  name HB    ) ( segid "BBBB" and resid    9 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid    8 and  name HN    ) ( segid "BBBB" and resid    9 and  name HN   ) 4.0 2.2 0.5
!E10
assign ( segid "BBBB" and resid    9 and  name HA    ) ( segid "BBBB" and resid   10 and  name HN   ) 5.5 3.7 0.5
assign ( segid "BBBB" and resid   10 and  name HA    ) ( segid "BBBB" and resid   10 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   10 and  name HB#   ) ( segid "BBBB" and resid   10 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   10 and  name HG#   ) ( segid "BBBB" and resid   10 and  name HN   ) 5.5 3.7 1.0
assign ( segid "BBBB" and resid    9 and  name HB#   ) ( segid "BBBB" and resid   10 and  name HN   ) 5.5 3.7 1.0
assign ( segid "BBBB" and resid    9 and  name HD#   ) ( segid "BBBB" and resid   10 and  name HN   ) 5.5 3.7 1.0
assign ( segid "BBBB" and resid    9 and  name HN    ) ( segid "BBBB" and resid   10 and  name HN   ) 4.0 2.2 0.5
!A11
assign ( segid "BBBB" and resid   10 and  name HA    ) ( segid "BBBB" and resid   11 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   11 and  name HA    ) ( segid "BBBB" and resid   11 and  name HN   ) 3.5 1.7 0.5
assign ( segid "BBBB" and resid   11 and  name HB*   ) ( segid "BBBB" and resid   11 and  name HN   ) 4.0 2.2 1.5
assign ( segid "BBBB" and resid   10 and  name HB#   ) ( segid "BBBB" and resid   11 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   10 and  name HG#   ) ( segid "BBBB" and resid   11 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   10 and  name HN    ) ( segid "BBBB" and resid   11 and  name HN   ) 4.0 2.2 0.5
!A12
assign ( segid "BBBB" and resid   11 and  name HA    ) ( segid "BBBB" and resid   12 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   12 and  name HA    ) ( segid "BBBB" and resid   12 and  name HN   ) 3.5 1.7 0.5
assign ( segid "BBBB" and resid   12 and  name HB*   ) ( segid "BBBB" and resid   12 and  name HN   ) 4.0 2.2 1.5
assign ( segid "BBBB" and resid   11 and  name HN    ) ( segid "BBBB" and resid   12 and  name HN   ) 3.5 1.7 0.5
!I13
assign ( segid "BBBB" and resid   12 and  name HA    ) ( segid "BBBB" and resid   13 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   13 and  name HA    ) ( segid "BBBB" and resid   13 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   13 and  name HB    ) ( segid "BBBB" and resid   13 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   13 and  name HG#   ) ( segid "BBBB" and resid   13 and  name HN   ) 4.0 2.2 1.5
!E14
assign ( segid "BBBB" and resid   13 and  name HA    ) ( segid "BBBB" and resid   14 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   14 and  name HA    ) ( segid "BBBB" and resid   14 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   14 and  name HB#   ) ( segid "BBBB" and resid   14 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   14 and  name HG#   ) ( segid "BBBB" and resid   14 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   13 and  name HN    ) ( segid "BBBB" and resid   14 and  name HN   ) 4.5 2.7 0.5
!T15
assign ( segid "BBBB" and resid   14 and  name HA    ) ( segid "BBBB" and resid   15 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   15 and  name HA    ) ( segid "BBBB" and resid   15 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   15 and  name HB    ) ( segid "BBBB" and resid   15 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   15 and  name HG*   ) ( segid "BBBB" and resid   15 and  name HN   ) 4.5 2.7 1.5
assign ( segid "BBBB" and resid   14 and  name HB#   ) ( segid "BBBB" and resid   15 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   14 and  name HG#   ) ( segid "BBBB" and resid   15 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   14 and  name HN    ) ( segid "BBBB" and resid   15 and  name HN   ) 4.0 2.2 0.5

!V16
assign ( segid "BBBB" and resid   15 and  name HA    ) ( segid "BBBB" and resid   16 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   16 and  name HA    ) ( segid "BBBB" and resid   16 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   13 and  name HA    ) ( segid "BBBB" and resid   16 and  name HN   ) 3.5 1.7 0.5
assign ( segid "BBBB" and resid   16 and  name HB    ) ( segid "BBBB" and resid   16 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   16 and  name HG*   ) ( segid "BBBB" and resid   16 and  name HN   ) 4.0 2.2 1.5
assign ( segid "BBBB" and resid   15 and  name HG*   ) ( segid "BBBB" and resid   16 and  name HN   ) 4.0 2.2 1.5
assign ( segid "BBBB" and resid   15 and  name HB    ) ( segid "BBBB" and resid   16 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   15 and  name HN    ) ( segid "BBBB" and resid   16 and  name HN   ) 4.0 2.2 0.5
!V17
assign ( segid "BBBB" and resid   16 and  name HA    ) ( segid "BBBB" and resid   17 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   17 and  name HA    ) ( segid "BBBB" and resid   17 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   17 and  name HB    ) ( segid "BBBB" and resid   17 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   17 and  name HG*   ) ( segid "BBBB" and resid   17 and  name HN   ) 4.0 2.2 1.5
assign ( segid "BBBB" and resid   16 and  name HN    ) ( segid "BBBB" and resid   17 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   16 and  name HG*   ) ( segid "BBBB" and resid   17 and  name HN   ) 4.0 2.2 1.5
assign ( segid "BBBB" and resid   16 and  name HB    ) ( segid "BBBB" and resid   17 and  name HN   ) 4.0 2.2 0.5
!S18
assign ( segid "BBBB" and resid   17 and  name HA    ) ( segid "BBBB" and resid   18 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   18 and  name HA    ) ( segid "BBBB" and resid   18 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   18 and  name HB#   ) ( segid "BBBB" and resid   18 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   17 and  name HN    ) ( segid "BBBB" and resid   18 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   17 and  name HB    ) ( segid "BBBB" and resid   18 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   17 and  name HG*   ) ( segid "BBBB" and resid   18 and  name HN   ) 4.0 2.2 1.5
!T19
assign ( segid "BBBB" and resid   18 and  name HA    ) ( segid "BBBB" and resid   19 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   19 and  name HA    ) ( segid "BBBB" and resid   19 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   16 and  name HA    ) ( segid "BBBB" and resid   19 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   19 and  name HB    ) ( segid "BBBB" and resid   19 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   19 and  name HG*   ) ( segid "BBBB" and resid   19 and  name HN   ) 4.0 2.2 1.5
assign ( segid "BBBB" and resid   18 and  name HN    ) ( segid "BBBB" and resid   19 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   18 and  name HB#   ) ( segid "BBBB" and resid   19 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   17 and  name HG*   ) ( segid "BBBB" and resid   19 and  name HN   ) 5.5 3.7 1.5
!F20
assign ( segid "BBBB" and resid   19 and  name HA    ) ( segid "BBBB" and resid   20 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   20 and  name HA    ) ( segid "BBBB" and resid   20 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   20 and  name HB#   ) ( segid "BBBB" and resid   20 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   20 and  name HB#   ) ( segid "BBBB" and resid   20 and  name HD#  ) 4.0 2.2 2.0
assign ( segid "BBBB" and resid   20 and  name HB#   ) ( segid "BBBB" and resid   20 and  name HE#  ) 5.0 3.2 2.0
assign ( segid "BBBB" and resid   20 and  name HA    ) ( segid "BBBB" and resid   20 and  name HD#  ) 4.0 2.2 2.0
assign ( segid "BBBB" and resid   20 and  name HA    ) ( segid "BBBB" and resid   20 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   19 and  name HB    ) ( segid "BBBB" and resid   20 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   19 and  name HG*   ) ( segid "BBBB" and resid   20 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid   19 and  name HN    ) ( segid "BBBB" and resid   20 and  name HN   ) 3.5 1.7 0.5
assign ( segid "BBBB" and resid   19 and  name HB    ) ( segid "BBBB" and resid   20 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   19 and  name HB    ) ( segid "BBBB" and resid   20 and  name HE#  ) 6.5 4.7 2.0
!F21
assign ( segid "BBBB" and resid   20 and  name HA    ) ( segid "BBBB" and resid   21 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   21 and  name HA    ) ( segid "BBBB" and resid   21 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   21 and  name HB#   ) ( segid "BBBB" and resid   21 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   20 and  name HB#   ) ( segid "BBBB" and resid   21 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   21 and  name HB#   ) ( segid "BBBB" and resid   21 and  name HD#  ) 4.0 2.2 2.0
assign ( segid "BBBB" and resid   21 and  name HB#   ) ( segid "BBBB" and resid   21 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   21 and  name HA    ) ( segid "BBBB" and resid   21 and  name HD#  ) 4.0 2.2 2.0
assign ( segid "BBBB" and resid   21 and  name HA    ) ( segid "BBBB" and resid   21 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   21 and  name HN    ) ( segid "BBBB" and resid   21 and  name HD#  ) 5.0 3.2 2.0
assign ( segid "BBBB" and resid   23 and  name HB#   ) ( segid "BBBB" and resid   21 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   38 and  name HD#   ) ( segid "BBBB" and resid   21 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   38 and  name HE#   ) ( segid "BBBB" and resid   21 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "BBBB" and resid   38 and  name HE#   ) ( segid "BBBB" and resid   21 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   38 and  name HD#   ) ( segid "AAAA" and resid   21 and  name HE#  ) 6.5 4.7 2.0
assign ( segid "AAAA" and resid   38 and  name HD#   ) ( segid "AAAA" and resid   21 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "AAAA" and resid   38 and  name HD#   ) ( segid "AAAA" and resid   21 and  name HE#  ) 5.5 3.7 2.0
!assign ( segid "BBBB" and resid   40 and  name HG#   ) ( segid "BBBB" and resid   21 and  name HD#  ) 4.5 2.7 2.0
!assign ( segid "BBBB" and resid   40 and  name HG#   ) ( segid "BBBB" and resid   21 and  name HE#  ) 5.5 3.7 2.0
!assign ( segid "AAAA" and resid   40 and  name HG#   ) ( segid "AAAA" and resid   21 and  name HD#  ) 6.5 4.7 2.0
!assign ( segid "AAAA" and resid   40 and  name HD#   ) ( segid "AAAA" and resid   21 and  name HE#  ) 4.5 2.7 2.0

!T22
assign ( segid "BBBB" and resid   21 and  name HA    ) ( segid "BBBB" and resid   22 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   22 and  name HA    ) ( segid "BBBB" and resid   22 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   22 and  name HB    ) ( segid "BBBB" and resid   22 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   22 and  name HG*   ) ( segid "BBBB" and resid   22 and  name HN   ) 4.5 2.7 1.5
assign ( segid "BBBB" and resid   21 and  name HB#   ) ( segid "BBBB" and resid   22 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   21 and  name HN    ) ( segid "BBBB" and resid   22 and  name HN   ) 3.5 1.7 0.5
assign ( segid "BBBB" and resid   21 and  name HE#   ) ( segid "BBBB" and resid   22 and  name HN   ) 6.5 4.7 2.0
assign ( segid "BBBB" and resid   21 and  name HA    ) ( segid "BBBB" and resid   22 and  name HG*  ) 5.0 3.2 0.5
!F23
assign ( segid "BBBB" and resid   22 and  name HA    ) ( segid "BBBB" and resid   23 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   23 and  name HA    ) ( segid "BBBB" and resid   23 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   23 and  name HB#   ) ( segid "BBBB" and resid   23 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   23 and  name HB#   ) ( segid "BBBB" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "BBBB" and resid   23 and  name HB#   ) ( segid "BBBB" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   23 and  name HA    ) ( segid "BBBB" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "BBBB" and resid   23 and  name HA    ) ( segid "BBBB" and resid   23 and  name HE#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   22 and  name HB    ) ( segid "BBBB" and resid   23 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   22 and  name HG*   ) ( segid "BBBB" and resid   23 and  name HN   ) 4.5 2.7 1.5
assign ( segid "BBBB" and resid   22 and  name HN    ) ( segid "BBBB" and resid   23 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   21 and  name HD#   ) ( segid "BBBB" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "BBBB" and resid   21 and  name HD#   ) ( segid "BBBB" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   21 and  name HE#   ) ( segid "BBBB" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "BBBB" and resid   21 and  name HE#   ) ( segid "BBBB" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   38 and  name HD#   ) ( segid "BBBB" and resid   23 and  name HB#  ) 6.5 4.7 2.0
assign ( segid "BBBB" and resid   38 and  name HD#   ) ( segid "BBBB" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "BBBB" and resid   38 and  name HD#   ) ( segid "BBBB" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   38 and  name HE#   ) ( segid "BBBB" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "BBBB" and resid   38 and  name HE#   ) ( segid "BBBB" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   38 and  name HD#   ) ( segid "AAAA" and resid   23 and  name HB#   ) 6.5 4.7 2.0
assign ( segid "AAAA" and resid   38 and  name HD#   ) ( segid "AAAA" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "AAAA" and resid   38 and  name HD#   ) ( segid "AAAA" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   38 and  name HE#   ) ( segid "AAAA" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "AAAA" and resid   38 and  name HE#   ) ( segid "AAAA" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   35 and  name HD#   ) ( segid "BBBB" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "BBBB" and resid   35 and  name HD#   ) ( segid "BBBB" and resid   23 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "AAAA" and resid   35 and  name HD#   ) ( segid "AAAA" and resid   23 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "AAAA" and resid   35 and  name HD#   ) ( segid "AAAA" and resid   23 and  name HE#  ) 5.5 3.7 2.0



!A24
assign ( segid "BBBB" and resid   23 and  name HA    ) ( segid "BBBB" and resid   24 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   24 and  name HA    ) ( segid "BBBB" and resid   24 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   24 and  name HB*   ) ( segid "BBBB" and resid   24 and  name HN   ) 4.5 2.7 1.5
assign ( segid "BBBB" and resid   23 and  name HB#   ) ( segid "BBBB" and resid   24 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   23 and  name HN    ) ( segid "BBBB" and resid   24 and  name HN   ) 3.5 1.7 0.5
assign ( segid "BBBB" and resid   20 and  name HE#   ) ( segid "BBBB" and resid   24 and  name HN   ) 6.0 4.2 2.0

!G25
assign ( segid "BBBB" and resid   24 and  name HA    ) ( segid "BBBB" and resid   25 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   25 and  name HA#   ) ( segid "BBBB" and resid   25 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   25 and  name HN    ) ( segid "BBBB" and resid   24 and  name HN   ) 3.5 1.7 0.5
assign ( segid "BBBB" and resid   30 and  name HA    ) ( segid "BBBB" and resid   25 and  name HN   ) 6.0 4.2 0.5
assign ( segid "BBBB" and resid   24 and  name HB*   ) ( segid "BBBB" and resid   25 and  name HN   ) 4.5 2.7 1.5
assign ( segid "BBBB" and resid   23 and  name HN    ) ( segid "BBBB" and resid   25 and  name HN   ) 4.5 2.7 0.5
!assign ( segid "BBBB" and resid   25 and  name HG#   ) ( segid "BBBB" and resid   34 and  name HB#  ) 5.5 3.7 1.0
!assign ( segid "AAAA" and resid   25 and  name HG#   ) ( segid "AAAA" and resid   34 and  name HB#  ) 5.5 3.7 1.0
!R26
assign ( segid "BBBB" and resid   25 and  name HA#   ) ( segid "BBBB" and resid   26 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   26 and  name HA    ) ( segid "BBBB" and resid   26 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   26 and  name HB#   ) ( segid "BBBB" and resid   26 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   26 and  name HG#   ) ( segid "BBBB" and resid   26 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   26 and  name HD#   ) ( segid "BBBB" and resid   26 and  name HN   ) 5.5 3.7 1.0
assign ( segid "BBBB" and resid   26 and  name HN    ) ( segid "BBBB" and resid   25 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   26 and  name HG#   ) ( segid "BBBB" and resid   34 and  name HB#  ) 5.5 3.7 1.0
assign ( segid "AAAA" and resid   26 and  name HG#   ) ( segid "AAAA" and resid   34 and  name HB#  ) 5.5 3.7 1.0

!E27
assign ( segid "BBBB" and resid   26 and  name HA    ) ( segid "BBBB" and resid   27 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   27 and  name HA    ) ( segid "BBBB" and resid   27 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   27 and  name HB#   ) ( segid "BBBB" and resid   27 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   27 and  name HG#   ) ( segid "BBBB" and resid   27 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   26 and  name HB#   ) ( segid "BBBB" and resid   27 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   25 and  name HA#   ) ( segid "BBBB" and resid   27 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   26 and  name HN    ) ( segid "BBBB" and resid   27 and  name HN   ) 3.5 1.7 0.5


!G28
assign ( segid "BBBB" and resid   27 and  name HA    ) ( segid "BBBB" and resid   28 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   28 and  name HA#   ) ( segid "BBBB" and resid   28 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   26 and  name HA    ) ( segid "BBBB" and resid   28 and  name HN   ) 6.0 4.2 0.5
!G31
assign ( segid "BBBB" and resid   30 and  name HA    ) ( segid "BBBB" and resid   31 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   31 and  name HA#   ) ( segid "BBBB" and resid   31 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   30 and  name HB#   ) ( segid "BBBB" and resid   31 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   73 and  name HD#   ) ( segid "BBBB" and resid   31 and  name HN   ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   72 and  name HD#   ) ( segid "BBBB" and resid   31 and  name HA#  ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   75 and  name HB#   ) ( segid "BBBB" and resid   31 and  name HA#  ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   75 and  name HG#   ) ( segid "BBBB" and resid   31 and  name HA#  ) 4.5 2.7 1.0

!S32
assign ( segid "BBBB" and resid   31 and  name HA#   ) ( segid "BBBB" and resid   32 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   32 and  name HA    ) ( segid "BBBB" and resid   32 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   32 and  name HB#   ) ( segid "BBBB" and resid   32 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   31 and  name HN    ) ( segid "BBBB" and resid   32 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   71 and  name HD#   ) ( segid "BBBB" and resid   32 and  name HN   ) 6.0 4.2 1.5
!L33
assign ( segid "BBBB" and resid   32 and  name HA    ) ( segid "BBBB" and resid   33 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   32 and  name HB#   ) ( segid "BBBB" and resid   33 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   33 and  name HB#   ) ( segid "BBBB" and resid   33 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   33 and  name HG#   ) ( segid "BBBB" and resid   33 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   33 and  name HD#   ) ( segid "BBBB" and resid   33 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   33 and  name HA    ) ( segid "BBBB" and resid   33 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   72 and  name HB#   ) ( segid "BBBB" and resid   33 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   72 and  name HG#   ) ( segid "BBBB" and resid   33 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   72 and  name HA    ) ( segid "BBBB" and resid   33 and  name HN   ) 6.0 4.2 0.5
assign ( segid "BBBB" and resid   71 and  name HD#   ) ( segid "BBBB" and resid   33 and  name HN   ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   71 and  name HD#   ) ( segid "BBBB" and resid   33 and  name HA   ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   71 and  name HN    ) ( segid "BBBB" and resid   33 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   71 and  name HA    ) ( segid "BBBB" and resid   33 and  name HN   ) 6.5 4.7 0.5

!N34
assign ( segid "BBBB" and resid   33 and  name HA    ) ( segid "BBBB" and resid   34 and  name HN   ) 3.0 1.2 0.5
assign ( segid "BBBB" and resid   34 and  name HA    ) ( segid "BBBB" and resid   34 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   33 and  name HN    ) ( segid "BBBB" and resid   34 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   33 and  name HB#   ) ( segid "BBBB" and resid   34 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   33 and  name HG#   ) ( segid "BBBB" and resid   34 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   33 and  name HD#   ) ( segid "BBBB" and resid   34 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   34 and  name HB#   ) ( segid "BBBB" and resid   34 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   33 and  name HD#   ) ( segid "BBBB" and resid   34 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   34 and  name HA    ) ( segid "BBBB" and resid   70 and  name HB#  ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   37 and  name HG#   ) ( segid "BBBB" and resid   34 and  name HN   ) 4.0 2.2 1.0
!I35
assign ( segid "BBBB" and resid   34 and  name HA    ) ( segid "BBBB" and resid   35 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   35 and  name HA    ) ( segid "BBBB" and resid   35 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   34 and  name HB#   ) ( segid "BBBB" and resid   35 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   35 and  name HB#   ) ( segid "BBBB" and resid   35 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   35 and  name HG*   ) ( segid "BBBB" and resid   35 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   34 and  name HD#   ) ( segid "BBBB" and resid   35 and  name HN   ) 3.0 1.2 1.0
!N36
assign ( segid "BBBB" and resid   35 and  name HA    ) ( segid "BBBB" and resid   36 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   36 and  name HA    ) ( segid "BBBB" and resid   36 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   36 and  name HA    ) ( segid "BBBB" and resid   36 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   36 and  name HB#   ) ( segid "BBBB" and resid   36 and  name HD#  ) 3.5 1.7 1.0
assign ( segid "BBBB" and resid   35 and  name HB#   ) ( segid "BBBB" and resid   36 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   35 and  name HG*   ) ( segid "BBBB" and resid   36 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   35 and  name HN    ) ( segid "BBBB" and resid   36 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   34 and  name HB#   ) ( segid "BBBB" and resid   36 and  name HN   ) 6.5 4.7 1.0
!E37
assign ( segid "BBBB" and resid   36 and  name HA    ) ( segid "BBBB" and resid   37 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   37 and  name HA    ) ( segid "BBBB" and resid   37 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   36 and  name HB#   ) ( segid "BBBB" and resid   37 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   37 and  name HB#   ) ( segid "BBBB" and resid   37 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   37 and  name HG#   ) ( segid "BBBB" and resid   37 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   36 and  name HN    ) ( segid "BBBB" and resid   37 and  name HN   ) 3.5 1.7 0.5
!F38
assign ( segid "BBBB" and resid   37 and  name HA    ) ( segid "BBBB" and resid   38 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   38 and  name HA    ) ( segid "BBBB" and resid   38 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   38 and  name HB#   ) ( segid "BBBB" and resid   38 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   37 and  name HB#   ) ( segid "BBBB" and resid   37 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   37 and  name HG#   ) ( segid "BBBB" and resid   37 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   37 and  name HN    ) ( segid "BBBB" and resid   38 and  name HN   ) 3.5 1.7 0.5
assign ( segid "BBBB" and resid   38 and  name HB#   ) ( segid "BBBB" and resid   38 and  name HD#  ) 4.0 2.2 2.0
assign ( segid "BBBB" and resid   38 and  name HB#   ) ( segid "BBBB" and resid   38 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   38 and  name HA    ) ( segid "BBBB" and resid   38 and  name HD#  ) 4.0 2.2 2.0
assign ( segid "BBBB" and resid   38 and  name HA    ) ( segid "BBBB" and resid   38 and  name HE#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   38 and  name HN    ) ( segid "BBBB" and resid   38 and  name HD#  ) 4.5 2.7 2.0
assign ( segid "BBBB" and resid   42 and  name HA    ) ( segid "BBBB" and resid   38 and  name HD#  ) 5.0 3.2 2.0
assign ( segid "BBBB" and resid   35 and  name HA    ) ( segid "BBBB" and resid   38 and  name HD#  ) 5.0 3.2 2.0
assign ( segid "BBBB" and resid   67 and  name HG#   ) ( segid "BBBB" and resid   38 and  name HD#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   67 and  name HG#   ) ( segid "BBBB" and resid   38 and  name HE#  ) 6.5 4.7 2.0
assign ( segid "BBBB" and resid   35 and  name HG#   ) ( segid "BBBB" and resid   38 and  name HD#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   35 and  name HG#   ) ( segid "BBBB" and resid   38 and  name HE#  ) 6.5 4.7 2.0
assign ( segid "BBBB" and resid   35 and  name HD#   ) ( segid "BBBB" and resid   38 and  name HD#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   35 and  name HD#   ) ( segid "BBBB" and resid   38 and  name HE#  ) 6.5 4.7 2.0
assign ( segid "BBBB" and resid   65 and  name HG#   ) ( segid "BBBB" and resid   38 and  name HD#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   65 and  name HG#   ) ( segid "BBBB" and resid   38 and  name HE#  ) 6.5 4.7 2.0
assign ( segid "BBBB" and resid   35 and  name HG#   ) ( segid "BBBB" and resid   38 and  name HN   ) 6.5 4.7 2.0
assign ( segid "BBBB" and resid   34 and  name HN    ) ( segid "BBBB" and resid   38 and  name HN   ) 6.5 4.7 0.5
!K39
assign ( segid "BBBB" and resid   38 and  name HA    ) ( segid "BBBB" and resid   39 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   39 and  name HA    ) ( segid "BBBB" and resid   39 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   39 and  name HB#   ) ( segid "BBBB" and resid   39 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   39 and  name HG#   ) ( segid "BBBB" and resid   39 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   38 and  name HD#   ) ( segid "BBBB" and resid   39 and  name HN   ) 5.5 3.7 1.5
assign ( segid "BBBB" and resid   38 and  name HN    ) ( segid "BBBB" and resid   39 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   38 and  name HB#   ) ( segid "BBBB" and resid   39 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   38 and  name HD#   ) ( segid "BBBB" and resid   39 and  name HN   ) 5.0 3.2 2.0
!E40
assign ( segid "BBBB" and resid   39 and  name HA    ) ( segid "BBBB" and resid   40 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   40 and  name HA    ) ( segid "BBBB" and resid   40 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   40 and  name HB#   ) ( segid "BBBB" and resid   40 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   40 and  name HG#   ) ( segid "BBBB" and resid   40 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   39 and  name HB#   ) ( segid "BBBB" and resid   40 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   39 and  name HG#   ) ( segid "BBBB" and resid   40 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   39 and  name HN    ) ( segid "BBBB" and resid   40 and  name HN   ) 4.0 2.2 0.5
!L41
assign ( segid "BBBB" and resid   40 and  name HA    ) ( segid "BBBB" and resid   41 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   41 and  name HA    ) ( segid "BBBB" and resid   41 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   40 and  name HB#   ) ( segid "BBBB" and resid   41 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   40 and  name HG#   ) ( segid "BBBB" and resid   41 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   41 and  name HB#   ) ( segid "BBBB" and resid   41 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   41 and  name HG#   ) ( segid "BBBB" and resid   41 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   41 and  name HN    ) ( segid "BBBB" and resid   40 and  name HN   ) 4.0 2.2 0.5
!A42
assign ( segid "BBBB" and resid   41 and  name HA    ) ( segid "BBBB" and resid   42 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   42 and  name HA    ) ( segid "BBBB" and resid   42 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   42 and  name HB*   ) ( segid "BBBB" and resid   42 and  name HN   ) 4.0 2.2 1.5
!assign ( segid "BBBB" and resid   40 and  name HA    ) ( segid "BBBB" and resid   42 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   41 and  name HB#   ) ( segid "BBBB" and resid   42 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   41 and  name HG#   ) ( segid "BBBB" and resid   42 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   41 and  name HN    ) ( segid "BBBB" and resid   42 and  name HN   ) 4.0 2.2 0.5
!T43
assign ( segid "BBBB" and resid   42 and  name HA    ) ( segid "BBBB" and resid   43 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   43 and  name HA    ) ( segid "BBBB" and resid   43 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   43 and  name HB    ) ( segid "BBBB" and resid   43 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   43 and  name HG*   ) ( segid "BBBB" and resid   43 and  name HN   ) 4.0 2.2 1.5
assign ( segid "BBBB" and resid   42 and  name HB*   ) ( segid "BBBB" and resid   43 and  name HN   ) 4.0 2.2 1.5
assign ( segid "BBBB" and resid   42 and  name HN    ) ( segid "BBBB" and resid   43 and  name HN   ) 4.0 2.2 0.5
!Q44
assign ( segid "BBBB" and resid   43 and  name HA    ) ( segid "BBBB" and resid   44 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   44 and  name HA    ) ( segid "BBBB" and resid   44 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   44 and  name HB#   ) ( segid "BBBB" and resid   44 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   44 and  name HG#   ) ( segid "BBBB" and resid   44 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   43 and  name HB    ) ( segid "BBBB" and resid   44 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   43 and  name HG*   ) ( segid "BBBB" and resid   44 and  name HN   ) 4.0 2.2 1.5
assign ( segid "BBBB" and resid   44 and  name HN    ) ( segid "BBBB" and resid   43 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   44 and  name HB#   ) ( segid "BBBB" and resid   44 and  name HE#  ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   44 and  name HG#   ) ( segid "BBBB" and resid   44 and  name HE#  ) 4.0 2.2 1.0
!Q45
assign ( segid "BBBB" and resid   44 and  name HA    ) ( segid "BBBB" and resid   44 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   45 and  name HA    ) ( segid "BBBB" and resid   45 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   44 and  name HB#   ) ( segid "BBBB" and resid   45 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   44 and  name HG#   ) ( segid "BBBB" and resid   45 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   45 and  name HB#   ) ( segid "BBBB" and resid   45 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   45 and  name HG#   ) ( segid "BBBB" and resid   45 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   45 and  name HB#   ) ( segid "BBBB" and resid   45 and  name HE#  ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   45 and  name HG#   ) ( segid "BBBB" and resid   45 and  name HE#  ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   44 and  name HN    ) ( segid "BBBB" and resid   45 and  name HN   ) 4.0 2.2 0.5
!L46
assign ( segid "BBBB" and resid   45 and  name HA    ) ( segid "BBBB" and resid   46 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   46 and  name HB#   ) ( segid "BBBB" and resid   46 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   46 and  name HG#   ) ( segid "BBBB" and resid   46 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   45 and  name HB#   ) ( segid "BBBB" and resid   45 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   45 and  name HG#   ) ( segid "BBBB" and resid   45 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   45 and  name HB#   ) ( segid "BBBB" and resid   46 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   45 and  name HG#   ) ( segid "BBBB" and resid   46 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   48 and  name HB#   ) ( segid "BBBB" and resid   46 and  name HN   ) 5.0 3.2 1.0
!H48
assign ( segid "BBBB" and resid   47 and  name HA    ) ( segid "BBBB" and resid   48 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   48 and  name HA    ) ( segid "BBBB" and resid   48 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   48 and  name HB#   ) ( segid "BBBB" and resid   48 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   47 and  name HB#   ) ( segid "BBBB" and resid   48 and  name HN   ) 4.5 2.7 1.0
!L49
assign ( segid "BBBB" and resid   48 and  name HA    ) ( segid "BBBB" and resid   49 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   49 and  name HA    ) ( segid "BBBB" and resid   49 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   49 and  name HB#   ) ( segid "BBBB" and resid   49 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   49 and  name HG#   ) ( segid "BBBB" and resid   49 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   48 and  name HB#   ) ( segid "BBBB" and resid   49 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   48 and  name HN    ) ( segid "BBBB" and resid   49 and  name HN   ) 4.0 2.2 0.5
!L50
assign ( segid "BBBB" and resid   49 and  name HA    ) ( segid "BBBB" and resid   50 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   50 and  name HA    ) ( segid "BBBB" and resid   50 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   50 and  name HB#   ) ( segid "BBBB" and resid   50 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   50 and  name HG#   ) ( segid "BBBB" and resid   50 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   49 and  name HB#   ) ( segid "BBBB" and resid   50 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   49 and  name HG#   ) ( segid "BBBB" and resid   50 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   49 and  name HN    ) ( segid "BBBB" and resid   50 and  name HN   ) 4.0 2.2 0.5
!K51
assign ( segid "BBBB" and resid   50 and  name HA    ) ( segid "BBBB" and resid   51 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   51 and  name HB#   ) ( segid "BBBB" and resid   51 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   51 and  name HG#   ) ( segid "BBBB" and resid   51 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   50 and  name HB#   ) ( segid "BBBB" and resid   51 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   50 and  name HG#   ) ( segid "BBBB" and resid   51 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   51 and  name HD#   ) ( segid "BBBB" and resid   51 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   51 and  name HN    ) ( segid "BBBB" and resid   50 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   51 and  name HA    ) ( segid "BBBB" and resid   51 and  name HN   ) 4.0 2.2 0.5
!D52
assign ( segid "BBBB" and resid   51 and  name HA    ) ( segid "BBBB" and resid   52 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   52 and  name HA    ) ( segid "BBBB" and resid   52 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   52 and  name HB#   ) ( segid "BBBB" and resid   52 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   51 and  name HN    ) ( segid "BBBB" and resid   52 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   51 and  name HB#   ) ( segid "BBBB" and resid   52 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   51 and  name HG#   ) ( segid "BBBB" and resid   52 and  name HN   ) 4.5 2.7 1.0
!V53
assign ( segid "BBBB" and resid   52 and  name HA    ) ( segid "BBBB" and resid   53 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   53 and  name HA    ) ( segid "BBBB" and resid   53 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   53 and  name HB    ) ( segid "BBBB" and resid   53 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   53 and  name HG*   ) ( segid "BBBB" and resid   53 and  name HN   ) 4.5 2.7 1.5
assign ( segid "BBBB" and resid   52 and  name HB#   ) ( segid "BBBB" and resid   53 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   52 and  name HN    ) ( segid "BBBB" and resid   53 and  name HN   ) 4.0 2.2 0.5
!G54
assign ( segid "BBBB" and resid   53 and  name HA    ) ( segid "BBBB" and resid   54 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   54 and  name HA#   ) ( segid "BBBB" and resid   54 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   53 and  name HB    ) ( segid "BBBB" and resid   54 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   53 and  name HG*   ) ( segid "BBBB" and resid   54 and  name HN   ) 4.0 2.2 1.5
assign ( segid "BBBB" and resid   54 and  name HN    ) ( segid "BBBB" and resid   53 and  name HN   ) 4.0 2.2 0.5

!S55
assign ( segid "BBBB" and resid   54 and  name HA#   ) ( segid "BBBB" and resid   55 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   55 and  name HA    ) ( segid "BBBB" and resid   55 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   55 and  name HB#   ) ( segid "BBBB" and resid   55 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   53 and  name HG*   ) ( segid "BBBB" and resid   53 and  name HN   ) 4.5 2.7 1.5
assign ( segid "BBBB" and resid   54 and  name HN    ) ( segid "BBBB" and resid   55 and  name HN   ) 4.0 2.2 0.5
!D57
assign ( segid "BBBB" and resid   56 and  name HA    ) ( segid "BBBB" and resid   57 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   57 and  name HA    ) ( segid "BBBB" and resid   57 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   57 and  name HB#   ) ( segid "BBBB" and resid   57 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   56 and  name HB#   ) ( segid "BBBB" and resid   57 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   56 and  name HG*   ) ( segid "BBBB" and resid   57 and  name HN   ) 4.5 2.7 1.5
assign ( segid "BBBB" and resid   56 and  name HN    ) ( segid "BBBB" and resid   57 and  name HN   ) 4.0 2.2 0.5
!E58
assign ( segid "BBBB" and resid   57 and  name HA    ) ( segid "BBBB" and resid   58 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   58 and  name HA    ) ( segid "BBBB" and resid   58 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   58 and  name HB#   ) ( segid "BBBB" and resid   58 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   58 and  name HG#   ) ( segid "BBBB" and resid   58 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   57 and  name HB#   ) ( segid "BBBB" and resid   58 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   58 and  name HN    ) ( segid "BBBB" and resid   57 and  name HN   ) 4.0 2.2 0.5
!K59
assign ( segid "BBBB" and resid   58 and  name HA    ) ( segid "BBBB" and resid   59 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   59 and  name HA    ) ( segid "BBBB" and resid   59 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   59 and  name HB#   ) ( segid "BBBB" and resid   59 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   59 and  name HG#   ) ( segid "BBBB" and resid   59 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   58 and  name HB#   ) ( segid "BBBB" and resid   58 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   58 and  name HG#   ) ( segid "BBBB" and resid   58 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   58 and  name HN    ) ( segid "BBBB" and resid   59 and  name HN   ) 4.0 2.2 0.5
!M60
assign ( segid "BBBB" and resid   59 and  name HA    ) ( segid "BBBB" and resid   60 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   60 and  name HA    ) ( segid "BBBB" and resid   60 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   60 and  name HB#   ) ( segid "BBBB" and resid   60 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   60 and  name HG#   ) ( segid "BBBB" and resid   60 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   59 and  name HB#   ) ( segid "BBBB" and resid   60 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   59 and  name HG#   ) ( segid "BBBB" and resid   60 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   60 and  name HN    ) ( segid "BBBB" and resid   59 and  name HN   ) 4.0 2.2 0.5
!K61
assign ( segid "BBBB" and resid   60 and  name HA    ) ( segid "BBBB" and resid   61 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   61 and  name HA    ) ( segid "BBBB" and resid   61 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   61 and  name HB#   ) ( segid "BBBB" and resid   61 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   61 and  name HG#   ) ( segid "BBBB" and resid   61 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   60 and  name HB#   ) ( segid "BBBB" and resid   61 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   60 and  name HG#   ) ( segid "BBBB" and resid   61 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   60 and  name HN    ) ( segid "BBBB" and resid   61 and  name HN   ) 4.0 2.2 0.5
!T62
assign ( segid "BBBB" and resid   61 and  name HA    ) ( segid "BBBB" and resid   62 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   62 and  name HA    ) ( segid "BBBB" and resid   62 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   62 and  name HB    ) ( segid "BBBB" and resid   62 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   62 and  name HG*   ) ( segid "BBBB" and resid   62 and  name HN   ) 4.0 2.2 1.5
assign ( segid "BBBB" and resid   61 and  name HB#   ) ( segid "BBBB" and resid   61 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   61 and  name HG#   ) ( segid "BBBB" and resid   61 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   62 and  name HN    ) ( segid "BBBB" and resid   61 and  name HN   ) 4.0 2.2 0.5
!L63
assign ( segid "BBBB" and resid   62 and  name HA    ) ( segid "BBBB" and resid   63 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   63 and  name HB#   ) ( segid "BBBB" and resid   63 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   63 and  name HG    ) ( segid "BBBB" and resid   63 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   63 and  name HA    ) ( segid "BBBB" and resid   63 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   63 and  name HD*   ) ( segid "BBBB" and resid   63 and  name HN   ) 4.5 2.7 1.5
assign ( segid "BBBB" and resid   62 and  name HB    ) ( segid "BBBB" and resid   63 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   62 and  name HN    ) ( segid "BBBB" and resid   63 and  name HN   ) 4.0 2.2 0.5
!D64
assign ( segid "BBBB" and resid   63 and  name HA    ) ( segid "BBBB" and resid   64 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   63 and  name HB#   ) ( segid "BBBB" and resid   64 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   63 and  name HG    ) ( segid "BBBB" and resid   64 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   64 and  name HA    ) ( segid "BBBB" and resid   64 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   63 and  name HD*   ) ( segid "BBBB" and resid   64 and  name HN   ) 4.5 2.7 1.5
assign ( segid "BBBB" and resid   64 and  name HB#   ) ( segid "BBBB" and resid   64 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   64 and  name HN    ) ( segid "BBBB" and resid   63 and  name HN   ) 4.0 2.2 0.5
!V65
assign ( segid "BBBB" and resid   64 and  name HA    ) ( segid "BBBB" and resid   65 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   65 and  name HA    ) ( segid "BBBB" and resid   65 and  name HB   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   65 and  name HB    ) ( segid "BBBB" and resid   65 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   65 and  name HG*   ) ( segid "BBBB" and resid   65 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   64 and  name HB#   ) ( segid "BBBB" and resid   65 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   64 and  name HN    ) ( segid "BBBB" and resid   65 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   65 and  name HG*   ) ( segid "BBBB" and resid   78 and  name HG*  ) 6.5 4.7 1.0
assign ( segid "AAAA" and resid   65 and  name HG*   ) ( segid "AAAA" and resid   78 and  name HG*  ) 6.5 4.7 1.0

!N66
assign ( segid "BBBB" and resid   65 and  name HA    ) ( segid "BBBB" and resid   66 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   66 and  name HA    ) ( segid "BBBB" and resid   66 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   66 and  name HB#   ) ( segid "BBBB" and resid   66 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   64 and  name HB#   ) ( segid "BBBB" and resid   65 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   66 and  name HN    ) ( segid "BBBB" and resid   65 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   66 and  name HB#   ) ( segid "BBBB" and resid   66 and  name HD#  ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   66 and  name HN    ) ( segid "BBBB" and resid   65 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   66 and  name HB#   ) ( segid "BBBB" and resid   78 and  name HD#  ) 6.0 4.2 1.0
assign ( segid "BBBB" and resid   66 and  name HB#   ) ( segid "BBBB" and resid   78 and  name HB#  ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   66 and  name HB#   ) ( segid "AAAA" and resid   78 and  name HD#  ) 6.0 4.2 1.0
assign ( segid "AAAA" and resid   66 and  name HB#   ) ( segid "AAAA" and resid   78 and  name HB#  ) 5.0 3.2 1.0
!Q67
assign ( segid "BBBB" and resid   66 and  name HA    ) ( segid "BBBB" and resid   67 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   67 and  name HA    ) ( segid "BBBB" and resid   67 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   66 and  name HB#   ) ( segid "BBBB" and resid   67 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   66 and  name HB#   ) ( segid "BBBB" and resid   67 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   66 and  name HB#   ) ( segid "BBBB" and resid   67 and  name HE#  ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   66 and  name HB#   ) ( segid "BBBB" and resid   67 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   67 and  name HB#   ) ( segid "BBBB" and resid   78 and  name HD#  ) 6.0 4.2 1.0
assign ( segid "BBBB" and resid   67 and  name HB#   ) ( segid "BBBB" and resid   78 and  name HB#  ) 5.0 3.2 1.0
assign ( segid "AAAA" and resid   67 and  name HB#   ) ( segid "AAAA" and resid   78 and  name HD#  ) 6.0 4.2 1.0
assign ( segid "AAAA" and resid   67 and  name HB#   ) ( segid "AAAA" and resid   78 and  name HB#  ) 5.0 3.2 1.0
!D68
assign ( segid "BBBB" and resid   67 and  name HA    ) ( segid "BBBB" and resid   68 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   68 and  name HA    ) ( segid "BBBB" and resid   68 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   66 and  name HB#   ) ( segid "BBBB" and resid   68 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   68 and  name HB#   ) ( segid "BBBB" and resid   68 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   67 and  name HN    ) ( segid "BBBB" and resid   68 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   68 and  name HB#   ) ( segid "BBBB" and resid   79 and  name HG#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   68 and  name HB#   ) ( segid "BBBB" and resid   79 and  name HB#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   68 and  name HB#   ) ( segid "AAAA" and resid   79 and  name HG#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   68 and  name HB#   ) ( segid "AAAA" and resid   79 and  name HB#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   68 and  name HB#   ) ( segid "BBBB" and resid   76 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   68 and  name HB#   ) ( segid "BBBB" and resid   76 and  name HE#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   68 and  name HB#   ) ( segid "AAAA" and resid   76 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   68 and  name HB#   ) ( segid "AAAA" and resid   76 and  name HE#  ) 6.0 4.2 2.0

!S69
assign ( segid "BBBB" and resid   68 and  name HA    ) ( segid "BBBB" and resid   69 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   69 and  name HA    ) ( segid "BBBB" and resid   69 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   69 and  name HB#   ) ( segid "BBBB" and resid   69 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   66 and  name HA    ) ( segid "BBBB" and resid   69 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   68 and  name HB#   ) ( segid "BBBB" and resid   69 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   35 and  name HD*   ) ( segid "BBBB" and resid   69 and  name HN   ) 5.5 3.7 1.5
assign ( segid "BBBB" and resid   69 and  name HN    ) ( segid "BBBB" and resid   68 and  name HN   ) 3.5 1.7 0.5
assign ( segid "BBBB" and resid   69 and  name HB#   ) ( segid "BBBB" and resid   76 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   69 and  name HB#   ) ( segid "BBBB" and resid   76 and  name HE#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   69 and  name HB#   ) ( segid "AAAA" and resid   76 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "AAAA" and resid   69 and  name HB#   ) ( segid "AAAA" and resid   76 and  name HE#  ) 6.0 4.2 2.0



!E70
assign ( segid "BBBB" and resid   70 and  name HA    ) ( segid "BBBB" and resid   70 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   69 and  name HA    ) ( segid "BBBB" and resid   70 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   70 and  name HG#   ) ( segid "BBBB" and resid   70 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   70 and  name HB#   ) ( segid "BBBB" and resid   70 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   69 and  name HN    ) ( segid "BBBB" and resid   70 and  name HN   ) 3.5 1.7 0.5
assign ( segid "BBBB" and resid   33 and  name HG    ) ( segid "BBBB" and resid   70 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   34 and  name HA    ) ( segid "BBBB" and resid   70 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   67 and  name HA    ) ( segid "BBBB" and resid   70 and  name HN   ) 5.5 3.7 0.5
assign ( segid "BBBB" and resid   34 and  name HB#   ) ( segid "BBBB" and resid   70 and  name HN   ) 6.0 4.2 1.0
assign ( segid "BBBB" and resid   69 and  name HB#   ) ( segid "BBBB" and resid   70 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   68 and  name HN    ) ( segid "BBBB" and resid   70 and  name HN   ) 4.5 2.7 0.5
!L71
assign ( segid "BBBB" and resid   70 and  name HA    ) ( segid "BBBB" and resid   71 and  name HN   ) 3.0 1.2 0.5
assign ( segid "BBBB" and resid   71 and  name HA    ) ( segid "BBBB" and resid   71 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   32 and  name HB#   ) ( segid "BBBB" and resid   71 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   33 and  name HN    ) ( segid "BBBB" and resid   71 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   71 and  name HN    ) ( segid "BBBB" and resid   70 and  name HN   ) 5.5 3.7 0.5
assign ( segid "BBBB" and resid   71 and  name HG    ) ( segid "BBBB" and resid   71 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   71 and  name HB#   ) ( segid "BBBB" and resid   71 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   70 and  name HG#   ) ( segid "BBBB" and resid   71 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   70 and  name HB#   ) ( segid "BBBB" and resid   71 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   71 and  name HD#   ) ( segid "BBBB" and resid   71 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid   32 and  name HB#   ) ( segid "BBBB" and resid   71 and  name HN   ) 5.5 3.7 1.0
assign ( segid "BBBB" and resid   31 and  name HA#   ) ( segid "BBBB" and resid   71 and  name HA   ) 4.5 2.7 1.0
!R72
assign ( segid "BBBB" and resid   71 and  name HA    ) ( segid "BBBB" and resid   72 and  name HN   ) 3.0 1.2 0.5
assign ( segid "BBBB" and resid   72 and  name HA    ) ( segid "BBBB" and resid   72 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   72 and  name HB#   ) ( segid "BBBB" and resid   72 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   72 and  name HG#   ) ( segid "BBBB" and resid   72 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   71 and  name HB#   ) ( segid "BBBB" and resid   72 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   72 and  name HD*   ) ( segid "BBBB" and resid   72 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid   71 and  name HG    ) ( segid "BBBB" and resid   71 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   71 and  name HD*   ) ( segid "BBBB" and resid   71 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid   72 and  name HA    ) ( segid "BBBB" and resid   32 and  name HA   ) 5.5 3.7 0.5
assign ( segid "BBBB" and resid   75 and  name HG#   ) ( segid "BBBB" and resid   72 and  name HN   ) 6.0 4.2 1.0
assign ( segid "BBBB" and resid   33 and  name HD*   ) ( segid "BBBB" and resid   72 and  name HN   ) 5.0 3.2 2.0

!F73
assign ( segid "BBBB" and resid   72 and  name HA    ) ( segid "BBBB" and resid   73 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   73 and  name HA    ) ( segid "BBBB" and resid   73 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   73 and  name HB#   ) ( segid "BBBB" and resid   73 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   73 and  name HD#   ) ( segid "BBBB" and resid   73 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   73 and  name HA    ) ( segid "BBBB" and resid   73 and  name HD#  ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   33 and  name HA    ) ( segid "BBBB" and resid   73 and  name HD#  ) 6.0 4.2 1.0
assign ( segid "BBBB" and resid   71 and  name HA    ) ( segid "BBBB" and resid   73 and  name HD#  ) 6.5 4.7 1.0
assign ( segid "BBBB" and resid   73 and  name HB#   ) ( segid "BBBB" and resid   73 and  name HD#  ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   33 and  name HD#   ) ( segid "BBBB" and resid   73 and  name HD#  ) 5.0 3.2 2.0
assign ( segid "BBBB" and resid   72 and  name HG#   ) ( segid "BBBB" and resid   73 and  name HD#  ) 5.0 3.2 2.0
assign ( segid "BBBB" and resid   72 and  name HG#   ) ( segid "BBBB" and resid   73 and  name HE#  ) 5.0 3.2 2.0
assign ( segid "BBBB" and resid   70 and  name HB#   ) ( segid "BBBB" and resid   73 and  name HD#  ) 6.5 4.7 2.0
assign ( segid "BBBB" and resid   70 and  name HB#   ) ( segid "BBBB" and resid   73 and  name HE#  ) 5.0 3.2 2.0
assign ( segid "BBBB" and resid   73 and  name HA    ) ( segid "BBBB" and resid   73 and  name HE#  ) 5.0 3.2 2.0
assign ( segid "BBBB" and resid   73 and  name HB#   ) ( segid "BBBB" and resid   73 and  name HE#  ) 4.0 2.2 2.0
assign ( segid "BBBB" and resid   72 and  name HB#   ) ( segid "BBBB" and resid   73 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   72 and  name HG#   ) ( segid "BBBB" and resid   73 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   72 and  name HD*   ) ( segid "BBBB" and resid   73 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid   72 and  name HN    ) ( segid "BBBB" and resid   73 and  name HN   ) 5.5 3.7 0.5
assign ( segid "BBBB" and resid   75 and  name HG#   ) ( segid "BBBB" and resid   73 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   73 and  name HB#   ) ( segid "BBBB" and resid   75 and  name HN   ) 5.5 3.7 1.0
assign ( segid "BBBB" and resid   73 and  name HD#   ) ( segid "BBBB" and resid   71 and  name HA   ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   73 and  name HD#   ) ( segid "BBBB" and resid   32 and  name HA   ) 6.5 4.7 2.0
assign ( segid "BBBB" and resid   73 and  name HD#   ) ( segid "BBBB" and resid   74 and  name HA   ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   76 and  name HD#   ) ( segid "BBBB" and resid   73 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   76 and  name HD#   ) ( segid "BBBB" and resid   73 and  name HE#  ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   76 and  name HE#   ) ( segid "BBBB" and resid   73 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   76 and  name HE#   ) ( segid "BBBB" and resid   73 and  name HE#  ) 5.5 3.7 2.0

!S74
assign ( segid "BBBB" and resid   73 and  name HA    ) ( segid "BBBB" and resid   74 and  name HN   ) 3.5 1.7 0.5
assign ( segid "BBBB" and resid   75 and  name HG#   ) ( segid "BBBB" and resid   74 and  name HN   ) 5.5 3.7 1.0
assign ( segid "BBBB" and resid   74 and  name HA    ) ( segid "BBBB" and resid   74 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   74 and  name HB#   ) ( segid "BBBB" and resid   74 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   73 and  name HN    ) ( segid "BBBB" and resid   74 and  name HN   ) 5.5 3.7 0.5
assign ( segid "BBBB" and resid   73 and  name HD#   ) ( segid "BBBB" and resid   74 and  name HN   ) 5.5 3.7 2.0
assign ( segid "BBBB" and resid   73 and  name HB#   ) ( segid "BBBB" and resid   74 and  name HN   ) 4.5 3.7 1.0
assign ( segid "BBBB" and resid   75 and  name HG#   ) ( segid "BBBB" and resid   74 and  name HN   ) 4.5 2.7 1.0
!E75
assign ( segid "BBBB" and resid   74 and  name HA    ) ( segid "BBBB" and resid   75 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   74 and  name HA    ) ( segid "BBBB" and resid   75 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   75 and  name HB#   ) ( segid "BBBB" and resid   75 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   75 and  name HG#   ) ( segid "BBBB" and resid   75 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   74 and  name HN    ) ( segid "BBBB" and resid   75 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   75 and  name HN    ) ( segid "BBBB" and resid   76 and  name HD#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   73 and  name HB#   ) ( segid "BBBB" and resid   75 and  name HN   ) 5.5 3.7 1.0
assign ( segid "BBBB" and resid   75 and  name HG#   ) ( segid "BBBB" and resid   70 and  name HG#  ) 5.5 3.7 1.0
assign ( segid "BBBB" and resid   75 and  name HB#   ) ( segid "BBBB" and resid   70 and  name HG#  ) 5.5 3.7 1.0
assign ( segid "AAAA" and resid   75 and  name HG#   ) ( segid "AAAA" and resid   70 and  name HG#  ) 5.5 3.7 1.0
assign ( segid "AAAA" and resid   75 and  name HB#   ) ( segid "AAAA" and resid   70 and  name HG#  ) 5.5 3.7 1.0

!Y76
assign ( segid "BBBB" and resid   75 and  name HA    ) ( segid "BBBB" and resid   76 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   76 and  name HA    ) ( segid "BBBB" and resid   76 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   76 and  name HB#   ) ( segid "BBBB" and resid   76 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   76 and  name HD#   ) ( segid "BBBB" and resid   76 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   76 and  name HA    ) ( segid "BBBB" and resid   76 and  name HD#  ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   76 and  name HB#   ) ( segid "BBBB" and resid   76 and  name HD#  ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   76 and  name HA    ) ( segid "BBBB" and resid   76 and  name HE#  ) 5.0 3.2 2.0
assign ( segid "BBBB" and resid   76 and  name HB#   ) ( segid "BBBB" and resid   76 and  name HE#  ) 4.0 2.2 2.0
assign ( segid "BBBB" and resid   75 and  name HB#   ) ( segid "BBBB" and resid   76 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   75 and  name HG#   ) ( segid "BBBB" and resid   76 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   76 and  name HN    ) ( segid "BBBB" and resid   75 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   76 and  name HA    ) ( segid "BBBB" and resid   79 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   76 and  name HB#   ) ( segid "BBBB" and resid   70 and  name HG#  ) 6.0 4.2 1.0


!W77
assign ( segid "BBBB" and resid   76 and  name HA    ) ( segid "BBBB" and resid   77 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   77 and  name HA    ) ( segid "BBBB" and resid   77 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   77 and  name HB#   ) ( segid "BBBB" and resid   77 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   77 and  name HD1   ) ( segid "BBBB" and resid   77 and  name HB#  ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   77 and  name HD1   ) ( segid "BBBB" and resid   77 and  name HN   ) 5.5 3.7 0.5
assign ( segid "BBBB" and resid   77 and  name HD1   ) ( segid "BBBB" and resid   77 and  name HA   ) 5.5 3.7 0.5
assign ( segid "BBBB" and resid   76 and  name HB#   ) ( segid "BBBB" and resid   77 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   74 and  name HA    ) ( segid "BBBB" and resid   77 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   74 and  name HB#   ) ( segid "BBBB" and resid   77 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   76 and  name HN    ) ( segid "BBBB" and resid   77 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   78 and  name HA    ) ( segid "BBBB" and resid   77 and  name HD1  ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   78 and  name HG#   ) ( segid "BBBB" and resid   77 and  name HD1  ) 6.0 4.2 1.0
assign ( segid "BBBB" and resid   77 and  name HH2   ) ( segid "BBBB" and resid   76 and  name HB#  ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   77 and  name HZ3   ) ( segid "BBBB" and resid   75 and  name HA   ) 6.0 4.2 2.0
assign ( segid "BBBB" and resid   77 and  name HZ3   ) ( segid "BBBB" and resid   76 and  name HB#  ) 4.0 2.2 2.0
assign ( segid "BBBB" and resid   77 and  name HZ3   ) ( segid "BBBB" and resid   75 and  name HG#  ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid   78 and  name HG#   ) ( segid "BBBB" and resid   77 and  name HZ3  ) 6.0 4.2 1.0
assign ( segid "BBBB" and resid   76 and  name HE#   ) ( segid "BBBB" and resid   77 and  name HN   ) 6.5 4.7 2.0
assign ( segid "BBBB" and resid   77 and  name HE3   ) ( segid "BBBB" and resid   77 and  name HN   ) 6.0 4.2 2.0

!R78
assign ( segid "BBBB" and resid   77 and  name HA    ) ( segid "BBBB" and resid   78 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   78 and  name HA    ) ( segid "BBBB" and resid   78 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   77 and  name HB#   ) ( segid "BBBB" and resid   78 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   78 and  name HN    ) ( segid "BBBB" and resid   77 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   75 and  name HA    ) ( segid "BBBB" and resid   78 and  name HB#  ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   78 and  name HB#   ) ( segid "BBBB" and resid   78 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   78 and  name HG#   ) ( segid "BBBB" and resid   78 and  name HN   ) 5.0 3.2 0.5
!L79
assign ( segid "BBBB" and resid   78 and  name HA    ) ( segid "BBBB" and resid   79 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   79 and  name HA    ) ( segid "BBBB" and resid   79 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   79 and  name HB#   ) ( segid "BBBB" and resid   79 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   79 and  name HG    ) ( segid "BBBB" and resid   79 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   79 and  name HD#   ) ( segid "BBBB" and resid   79 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   78 and  name HB#   ) ( segid "BBBB" and resid   79 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   78 and  name HG#   ) ( segid "BBBB" and resid   79 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   78 and  name HN    ) ( segid "BBBB" and resid   79 and  name HN   ) 4.0 2.2 0.5
!I80
assign ( segid "BBBB" and resid   79 and  name HA    ) ( segid "BBBB" and resid   80 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   80 and  name HA    ) ( segid "BBBB" and resid   80 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   80 and  name HB    ) ( segid "BBBB" and resid   80 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   80 and  name HG#   ) ( segid "BBBB" and resid   80 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   80 and  name HD#   ) ( segid "BBBB" and resid   80 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   79 and  name HB#   ) ( segid "BBBB" and resid   80 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   79 and  name HG    ) ( segid "BBBB" and resid   80 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   79 and  name HD#   ) ( segid "BBBB" and resid   80 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   80 and  name HN    ) ( segid "BBBB" and resid   79 and  name HN   ) 4.0 2.2 0.5
!G81
assign ( segid "BBBB" and resid   80 and  name HA    ) ( segid "BBBB" and resid   81 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   81 and  name HA#   ) ( segid "BBBB" and resid   81 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   80 and  name HB#   ) ( segid "BBBB" and resid   80 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   80 and  name HD#   ) ( segid "BBBB" and resid   80 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   80 and  name HN    ) ( segid "BBBB" and resid   81 and  name HN   ) 4.0 2.2 0.5
!E82
assign ( segid "BBBB" and resid   81 and  name HA#   ) ( segid "BBBB" and resid   82 and  name HN   ) 4.5 2.7 1.0
assign ( segid "BBBB" and resid   82 and  name HA    ) ( segid "BBBB" and resid   82 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   82 and  name HB#   ) ( segid "BBBB" and resid   82 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   82 and  name HG#   ) ( segid "BBBB" and resid   82 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   82 and  name HN    ) ( segid "BBBB" and resid   81 and  name HN   ) 4.0 2.2 0.5
!L83
assign ( segid "BBBB" and resid   82 and  name HA    ) ( segid "BBBB" and resid   83 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   83 and  name HA    ) ( segid "BBBB" and resid   83 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   83 and  name HB#   ) ( segid "BBBB" and resid   83 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   83 and  name HG    ) ( segid "BBBB" and resid   83 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   83 and  name HD#   ) ( segid "BBBB" and resid   83 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   82 and  name HB#   ) ( segid "BBBB" and resid   83 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   82 and  name HG#   ) ( segid "BBBB" and resid   83 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   82 and  name HN    ) ( segid "BBBB" and resid   83 and  name HN   ) 4.0 2.2 0.5
!A84
assign ( segid "BBBB" and resid   83 and  name HA    ) ( segid "BBBB" and resid   84 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   84 and  name HA    ) ( segid "BBBB" and resid   84 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   83 and  name HB#   ) ( segid "BBBB" and resid   84 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   83 and  name HG    ) ( segid "BBBB" and resid   84 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   83 and  name HD#   ) ( segid "BBBB" and resid   84 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   84 and  name HB*   ) ( segid "BBBB" and resid   84 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid   84 and  name HN    ) ( segid "BBBB" and resid   83 and  name HN   ) 4.0 2.2 0.5
!K85
assign ( segid "BBBB" and resid   84 and  name HA    ) ( segid "BBBB" and resid   85 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   85 and  name HA    ) ( segid "BBBB" and resid   85 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   85 and  name HB#   ) ( segid "BBBB" and resid   85 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   85 and  name HG#   ) ( segid "BBBB" and resid   85 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   85 and  name HD#   ) ( segid "BBBB" and resid   85 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   84 and  name HB*   ) ( segid "BBBB" and resid   85 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid   84 and  name HN    ) ( segid "BBBB" and resid   85 and  name HN   ) 4.0 2.2 0.5
!E86
assign ( segid "BBBB" and resid   85 and  name HA    ) ( segid "BBBB" and resid   86 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   86 and  name HA    ) ( segid "BBBB" and resid   86 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   86 and  name HB#   ) ( segid "BBBB" and resid   86 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   86 and  name HG#   ) ( segid "BBBB" and resid   86 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   85 and  name HD#   ) ( segid "BBBB" and resid   86 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   85 and  name HB#   ) ( segid "BBBB" and resid   86 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   85 and  name HG#   ) ( segid "BBBB" and resid   86 and  name HN   ) 5.0 3.2 1.0
!V87
assign ( segid "BBBB" and resid   86 and  name HA    ) ( segid "BBBB" and resid   87 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   87 and  name HA    ) ( segid "BBBB" and resid   87 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   87 and  name HB    ) ( segid "BBBB" and resid   87 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   87 and  name HG*   ) ( segid "BBBB" and resid   87 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid   86 and  name HB#   ) ( segid "BBBB" and resid   87 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   86 and  name HG#   ) ( segid "BBBB" and resid   87 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   86 and  name HN    ) ( segid "BBBB" and resid   87 and  name HN   ) 4.0 2.2 0.5
!R88
assign ( segid "BBBB" and resid   87 and  name HA    ) ( segid "BBBB" and resid   88 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   88 and  name HA    ) ( segid "BBBB" and resid   88 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   88 and  name HB#   ) ( segid "BBBB" and resid   88 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   88 and  name HG#   ) ( segid "BBBB" and resid   88 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   88 and  name HD#   ) ( segid "BBBB" and resid   88 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   87 and  name HB    ) ( segid "BBBB" and resid   87 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   87 and  name HG*   ) ( segid "BBBB" and resid   87 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid   88 and  name HN    ) ( segid "BBBB" and resid   87 and  name HN   ) 4.0 2.2 0.5

!K89
assign ( segid "BBBB" and resid   88 and  name HA    ) ( segid "BBBB" and resid   89 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   89 and  name HA    ) ( segid "BBBB" and resid   89 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   89 and  name HB#   ) ( segid "BBBB" and resid   89 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   89 and  name HG#   ) ( segid "BBBB" and resid   89 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   89 and  name HD#   ) ( segid "BBBB" and resid   89 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   88 and  name HB#   ) ( segid "BBBB" and resid   89 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   88 and  name HG#   ) ( segid "BBBB" and resid   89 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   88 and  name HD#   ) ( segid "BBBB" and resid   89 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   88 and  name HN    ) ( segid "BBBB" and resid   89 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   87 and  name HA    ) ( segid "BBBB" and resid   89 and  name HN   ) 4.5 2.7 0.5
!E90
assign ( segid "BBBB" and resid   89 and  name HA    ) ( segid "BBBB" and resid   90 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   90 and  name HA    ) ( segid "BBBB" and resid   90 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   90 and  name HB#   ) ( segid "BBBB" and resid   90 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   90 and  name HG#   ) ( segid "BBBB" and resid   90 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   89 and  name HB#   ) ( segid "BBBB" and resid   90 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   89 and  name HG#   ) ( segid "BBBB" and resid   90 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   89 and  name HD#   ) ( segid "BBBB" and resid   90 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   90 and  name HN    ) ( segid "BBBB" and resid   89 and  name HN   ) 4.0 2.2 0.5
!K91
assign ( segid "BBBB" and resid   90 and  name HA    ) ( segid "BBBB" and resid   91 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   91 and  name HA    ) ( segid "BBBB" and resid   91 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   91 and  name HB#   ) ( segid "BBBB" and resid   91 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   91 and  name HG#   ) ( segid "BBBB" and resid   91 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   91 and  name HD#   ) ( segid "BBBB" and resid   91 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   90 and  name HB#   ) ( segid "BBBB" and resid   91 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   90 and  name HG#   ) ( segid "BBBB" and resid   91 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   90 and  name HN    ) ( segid "BBBB" and resid   91 and  name HN   ) 4.0 2.2 0.5

!A92
assign ( segid "BBBB" and resid   91 and  name HA    ) ( segid "BBBB" and resid   92 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   92 and  name HA    ) ( segid "BBBB" and resid   92 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   92 and  name HB*   ) ( segid "BBBB" and resid   92 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid   91 and  name HB#   ) ( segid "BBBB" and resid   92 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   91 and  name HG#   ) ( segid "BBBB" and resid   92 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   91 and  name HD#   ) ( segid "BBBB" and resid   92 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   92 and  name HN    ) ( segid "BBBB" and resid   91 and  name HN   ) 4.0 2.2 0.5
!L93
assign ( segid "BBBB" and resid   92 and  name HA    ) ( segid "BBBB" and resid   93 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   93 and  name HA    ) ( segid "BBBB" and resid   93 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   93 and  name HB#   ) ( segid "BBBB" and resid   93 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   93 and  name HG    ) ( segid "BBBB" and resid   93 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   93 and  name HD#   ) ( segid "BBBB" and resid   93 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   92 and  name HB*   ) ( segid "BBBB" and resid   93 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid   92 and  name HN    ) ( segid "BBBB" and resid   93 and  name HN   ) 4.0 2.2 0.5
!G94
assign ( segid "BBBB" and resid   93 and  name HA    ) ( segid "BBBB" and resid   94 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   94 and  name HA#   ) ( segid "BBBB" and resid   94 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   93 and  name HB#   ) ( segid "BBBB" and resid   94 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   93 and  name HG    ) ( segid "BBBB" and resid   94 and  name HN   ) 5.0 3.2 0.5
assign ( segid "BBBB" and resid   93 and  name HD#   ) ( segid "BBBB" and resid   94 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   94 and  name HN    ) ( segid "BBBB" and resid   93 and  name HN   ) 4.0 2.2 0.5
!I95
assign ( segid "BBBB" and resid   94 and  name HA#   ) ( segid "BBBB" and resid   95 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   95 and  name HA    ) ( segid "BBBB" and resid   95 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   95 and  name HB    ) ( segid "BBBB" and resid   95 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   95 and  name HG*   ) ( segid "BBBB" and resid   95 and  name HN   ) 5.0 3.2 1.5
assign ( segid "BBBB" and resid   94 and  name HN    ) ( segid "BBBB" and resid   95 and  name HN   ) 4.0 2.2 0.5
!R96
assign ( segid "BBBB" and resid   95 and  name HA    ) ( segid "BBBB" and resid   96 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   96 and  name HA    ) ( segid "BBBB" and resid   96 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   96 and  name HB#   ) ( segid "BBBB" and resid   96 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   96 and  name HG#   ) ( segid "BBBB" and resid   96 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   96 and  name HD#   ) ( segid "BBBB" and resid   96 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   95 and  name HB    ) ( segid "BBBB" and resid   96 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   95 and  name HG*   ) ( segid "BBBB" and resid   96 and  name HN   ) 4.0 2.2 1.5
assign ( segid "BBBB" and resid   96 and  name HN    ) ( segid "BBBB" and resid   95 and  name HN   ) 4.0 2.2 0.5
!K97
assign ( segid "BBBB" and resid   96 and  name HA    ) ( segid "BBBB" and resid   97 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   97 and  name HA    ) ( segid "BBBB" and resid   97 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   97 and  name HB#   ) ( segid "BBBB" and resid   97 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   97 and  name HG#   ) ( segid "BBBB" and resid   97 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   97 and  name HD#   ) ( segid "BBBB" and resid   97 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   96 and  name HB#   ) ( segid "BBBB" and resid   97 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   96 and  name HG#   ) ( segid "BBBB" and resid   97 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   96 and  name HD#   ) ( segid "BBBB" and resid   97 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   96 and  name HN    ) ( segid "BBBB" and resid   97 and  name HN   ) 4.0 2.2 0.5
!K98
assign ( segid "BBBB" and resid   97 and  name HA    ) ( segid "BBBB" and resid   98 and  name HN   ) 4.5 2.7 0.5
assign ( segid "BBBB" and resid   98 and  name HA    ) ( segid "BBBB" and resid   98 and  name HN   ) 4.0 2.2 0.5
assign ( segid "BBBB" and resid   98 and  name HB#   ) ( segid "BBBB" and resid   98 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   98 and  name HG#   ) ( segid "BBBB" and resid   98 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   98 and  name HD#   ) ( segid "BBBB" and resid   98 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   97 and  name HB#   ) ( segid "BBBB" and resid   98 and  name HN   ) 4.0 2.2 1.0
assign ( segid "BBBB" and resid   97 and  name HG#   ) ( segid "BBBB" and resid   98 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   97 and  name HD#   ) ( segid "BBBB" and resid   98 and  name HN   ) 5.0 3.2 1.0
assign ( segid "BBBB" and resid   97 and  name HN    ) ( segid "BBBB" and resid   98 and  name HN   ) 4.0 2.2 0.5


!Secondary structure NOE table
ASSI {  1}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid  7   and name HA  ))
      5.000     3.200     1.000 peak    1 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 1}
    (( segid "BBBB" and resid 11   and name HN  ))
    (( segid "BBBB" and resid  7   and name HA  ))
 ASSI {  2}
    (( segid "AAAA" and resid 12   and name HN  ))
    (( segid "AAAA" and resid  8   and name HA  ))
      4.500     2.700     0.500 peak    2 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 2}
   (( segid "BBBB" and resid 12   and name HN  ))
   (( segid "BBBB" and resid  8   and name HA  )) 
 ASSI {  3}
   (( segid "AAAA" and resid 13   and name HN  ))
   (( segid "AAAA" and resid  9   and name HA  ))
      4.500     2.700     0.500 peak    3 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 3} 
   (( segid "BBBB" and resid 13   and name HN  ))
   (( segid "BBBB" and resid  9   and name HA  ))
 ASSI {  4}
   (( segid "AAAA" and resid 10   and name HN  ))
   (( segid "AAAA" and resid  7   and name HA  ))
      4.500     1.900     1.000 peak    4 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 4} 
   (( segid "BBBB" and resid 10   and name HN  ))
   (( segid "BBBB" and resid  7   and name HA  ))
 ASSI {  5}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid  8   and name HA  ))
      4.500     2.700     0.500 peak    5 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
 OR { 5}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid  8   and name HA  ))
 ASSI {  6}
   (( segid "AAAA" and resid 12   and name HN  ))
   (( segid "AAAA" and resid  9   and name HA  ))
      4.500     2.700     0.500 peak    6 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  6}
   (( segid "BBBB" and resid 12   and name HN  ))
   (( segid "BBBB" and resid  9   and name HA  ))
 ASSI {  7}
   (( segid "AAAA" and resid  7   and name HA  ))
   (( segid "AAAA" and resid 10   and name HB2 ))
      4.000     1.900     1.000 peak    7 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  7}
   (( segid "BBBB" and resid  7   and name HA  ))
   (( segid "BBBB" and resid 10   and name HB2 ))
 ASSI {  8}
   (( segid "AAAA" and resid  8   and name HA  ))
   (( segid "AAAA" and resid 11   and name HB2 ))
      4.000     1.900     1.000 peak    8 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  8}
   (( segid "BBBB" and resid  8   and name HA  ))
   (( segid "BBBB" and resid 11   and name HB2 ))
 ASSI {  9}
   (( segid "AAAA" and resid  9   and name HA  ))
   (( segid "AAAA" and resid 12   and name HB2 ))
      3.000     1.900     1.000 peak    9 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  9}
   (( segid "BBBB" and resid  9   and name HA  ))
   (( segid "BBBB" and resid 12   and name HB2 ))
 ASSI {  10}
   (( segid "AAAA" and resid  7   and name HN  ))
   (( segid "AAAA" and resid  9   and name HN  ))
      3.900     1.900     1.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  10}
   (( segid "BBBB" and resid  7   and name HN  ))
   (( segid "BBBB" and resid  9   and name HN  ))
 ASSI {  11}
   (( segid "AAAA" and resid  8   and name HN  ))
   (( segid "AAAA" and resid 10   and name HN  ))
      3.900     1.900     1.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  11}
   (( segid "BBBB" and resid  8   and name HN  ))
   (( segid "BBBB" and resid 10   and name HN  ))
 ASSI {  12}
   (( segid "AAAA" and resid  9   and name HN  ))
   (( segid "AAAA" and resid 11   and name HN  ))
      3.900     1.900     1.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  12}
   (( segid "BBBB" and resid  9   and name HN  ))
   (( segid "BBBB" and resid 11   and name HN  ))
 ASSI {  13}
   (( segid "AAAA" and resid 14   and name HN  ))
   (( segid "AAAA" and resid 10   and name HA  ))
      4.000     2.200     1.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  13}
   (( segid "BBBB" and resid 14   and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))

 ASSI {  14}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 11   and name HA  ))
      4.500     2.700     0.500 peak   14 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  14}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 11   and name HA  ))
 ASSI { 15}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 12   and name HA  ))
      4.500     2.700     0.500 peak   15 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 15}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 12   and name HA  ))
 ASSI { 16}
   (( segid "AAAA" and resid 13   and name HN  ))
   (( segid "AAAA" and resid 10   and name HA  ))
      4.500     1.900     1.000 peak   16 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 16}
   (( segid "BBBB" and resid 13   and name HN  ))
   (( segid "BBBB" and resid 10   and name HA  ))
 ASSI { 17}
   (( segid "AAAA" and resid 14   and name HN  ))
   (( segid "AAAA" and resid 11   and name HA  ))
      4.500     2.700     0.500 peak   17 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 17}
   (( segid "BBBB" and resid 14   and name HN  ))
   (( segid "BBBB" and resid 11   and name HA  ))
 ASSI { 18}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 12   and name HA  ))
      4.500     2.700     0.500 peak   18 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 18}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 12   and name HA  ))
 ASSI { 19}
   (( segid "AAAA" and resid 10   and name HA  ))
   (( segid "AAAA" and resid 13   and name HB  ))
      4.000     1.900     1.000 peak   19 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 19}
   (( segid "BBBB" and resid 10   and name HA  ))
   (( segid "BBBB" and resid 13   and name HB  ))
 ASSI { 20}
   (( segid "AAAA" and resid 11   and name HA  ))
   (( segid "AAAA" and resid 14   and name HB2 ))
      4.000     1.900     1.000 peak   20 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 20}
   (( segid "BBBB" and resid 11   and name HA  ))
   (( segid "BBBB" and resid 14   and name HB2 ))
 ASSI { 21}
   (( segid "AAAA" and resid 12   and name HA  ))
   (( segid "AAAA" and resid 15   and name HB  ))
      3.000     1.900     1.000 peak   21 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 21}
   (( segid "BBBB" and resid 12   and name HA  ))
   (( segid "BBBB" and resid 15   and name HB  ))
 ASSI {  22}
   (( segid "AAAA" and resid  10   and name HN  ))
   (( segid "AAAA" and resid  12   and name HN  ))
      3.900     1.900     1.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  22}
   (( segid "BBBB" and resid  10   and name HN  ))
   (( segid "BBBB" and resid  12   and name HN  ))
 ASSI {  23}
   (( segid "AAAA" and resid 11   and name HN  ))
   (( segid "AAAA" and resid 13   and name HN  ))
      3.900     1.900     1.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  23}
   (( segid "BBBB" and resid 11   and name HN  ))
   (( segid "BBBB" and resid 13   and name HN  ))
 ASSI {  24}
   (( segid "AAAA" and resid 12   and name HN  ))
   (( segid "AAAA" and resid 14   and name HN  ))
      3.900     1.900     1.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  24}
   (( segid "BBBB" and resid 12   and name HN  ))
   (( segid "BBBB" and resid 14   and name HN  ))
 ASSI {  25}
   (( segid "AAAA" and resid 17   and name HN  ))
   (( segid "AAAA" and resid 13   and name HA  ))
      4.000     2.200     1.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  25}
   (( segid "BBBB" and resid 17   and name HN  ))
   (( segid "BBBB" and resid 13   and name HA  ))
 ASSI {  26}
   (( segid "AAAA" and resid 18   and name HN  ))
   (( segid "AAAA" and resid 14   and name HA  ))
      4.500     2.700     0.500 peak   26 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  26}
   (( segid "BBBB" and resid 18   and name HN  ))
   (( segid "BBBB" and resid 14   and name HA  ))
 ASSI { 27}
   (( segid "AAAA" and resid 19   and name HN  ))
   (( segid "AAAA" and resid 15   and name HA  ))
      4.500     2.700     0.500 peak   27 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 27}
   (( segid "BBBB" and resid 19   and name HN  ))
   (( segid "BBBB" and resid 15   and name HA  ))
 ASSI { 28}
   (( segid "AAAA" and resid 16   and name HN  ))
   (( segid "AAAA" and resid 13   and name HA  ))
      4.500     1.900     1.000 peak   28 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 28}
   (( segid "BBBB" and resid 16   and name HN  ))
   (( segid "BBBB" and resid 13   and name HA  ))
 ASSI { 29}
   (( segid "AAAA" and resid 17   and name HN  ))
   (( segid "AAAA" and resid 14   and name HA  ))
      4.500     2.700     0.500 peak   29 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 29}
   (( segid "BBBB" and resid 17   and name HN  ))
   (( segid "BBBB" and resid 14   and name HA  ))
 ASSI { 30}
   (( segid "AAAA" and resid 18   and name HN  ))
   (( segid "AAAA" and resid 15   and name HA  ))
      4.500     2.700     0.500 peak   30 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 30}
   (( segid "BBBB" and resid 18   and name HN  ))
   (( segid "BBBB" and resid 15   and name HA  ))
 ASSI { 31}
   (( segid "AAAA" and resid 13   and name HA  ))
   (( segid "AAAA" and resid 16   and name HB  ))
      4.000     1.900     1.000 peak   31 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 31}
   (( segid "BBBB" and resid 13   and name HA  ))
   (( segid "BBBB" and resid 16   and name HB  ))
 ASSI { 32}
   (( segid "AAAA" and resid 14   and name HA  ))
   (( segid "AAAA" and resid 17   and name HB  ))
      4.000     1.900     1.000 peak   32 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 32}
   (( segid "BBBB" and resid 14   and name HA  ))
   (( segid "BBBB" and resid 17   and name HB  ))
 ASSI { 33}
   (( segid "AAAA" and resid 15   and name HA  ))
   (( segid "AAAA" and resid 18   and name HB1 ))
      3.000     1.900     1.000 peak   33 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 33}
   (( segid "BBBB" and resid 15   and name HA  ))
   (( segid "BBBB" and resid 18   and name HB1 ))
 ASSI {  34}
   (( segid "AAAA" and resid  13   and name HN  ))
   (( segid "AAAA" and resid  15   and name HN  ))
      3.900     1.900     1.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  34}
   (( segid "BBBB" and resid  13   and name HN  ))
   (( segid "BBBB" and resid  15   and name HN  ))
 ASSI {  35}
   (( segid "AAAA" and resid 14   and name HN  ))
   (( segid "AAAA" and resid 16   and name HN  ))
      3.900     1.900     1.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  35}
   (( segid "BBBB" and resid 14   and name HN  ))
   (( segid "BBBB" and resid 16   and name HN  ))
 ASSI {  36}
   (( segid "AAAA" and resid 15   and name HN  ))
   (( segid "AAAA" and resid 17   and name HN  ))
      3.900     1.900     1.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  36}
   (( segid "BBBB" and resid 15   and name HN  ))
   (( segid "BBBB" and resid 17   and name HN  ))
 ASSI {  37}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 16   and name HA  ))
      4.000     2.200     1.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  37}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 16   and name HA  ))
 ASSI {  38}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 17   and name HA  ))
      4.500     2.700     0.500 peak   38 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  38}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 17   and name HA  ))
 ASSI { 39}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 18   and name HA  ))
      4.500     2.700     0.500 peak   39 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 39}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 18   and name HA  ))
 ASSI { 40}
   (( segid "AAAA" and resid 19   and name HN  ))
   (( segid "AAAA" and resid 16   and name HA  ))
      4.500     1.900     1.000 peak   40 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 40}
   (( segid "BBBB" and resid 19   and name HN  ))
   (( segid "BBBB" and resid 16   and name HA  ))
 ASSI { 41}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 17   and name HA  ))
      4.500     2.700     0.500 peak   41 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 41}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 17   and name HA  ))
 ASSI { 42}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 18   and name HA  ))
      4.500     2.700     0.500 peak   42 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 42}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 18   and name HA  ))
 ASSI { 43}
   (( segid "AAAA" and resid 16   and name HA  ))
   (( segid "AAAA" and resid 19   and name HB  ))
      4.000     1.900     1.000 peak   43 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 43}
   (( segid "BBBB" and resid 16   and name HA  ))
   (( segid "BBBB" and resid 19   and name HB  ))
 ASSI { 44}
   (( segid "AAAA" and resid 17   and name HA  ))
   (( segid "AAAA" and resid 20   and name HB2 ))
      4.000     1.900     1.000 peak   44 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 44}
   (( segid "BBBB" and resid 17   and name HA  ))
   (( segid "BBBB" and resid 20   and name HB2 ))
 ASSI { 45}
   (( segid "AAAA" and resid 18   and name HA  ))
   (( segid "AAAA" and resid 21   and name HB2 ))
      3.000     1.900     1.000 peak   45 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 45}
   (( segid "BBBB" and resid 18   and name HA  ))
   (( segid "BBBB" and resid 21   and name HB2 ))
 ASSI {  46}
   (( segid "AAAA" and resid  16   and name HN  ))
   (( segid "AAAA" and resid  18   and name HN  ))
      3.900     1.900     1.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  46}
   (( segid "BBBB" and resid  16   and name HN  ))
   (( segid "BBBB" and resid  18   and name HN  ))
 ASSI {  47}
   (( segid "AAAA" and resid 17   and name HN  ))
   (( segid "AAAA" and resid 19   and name HN  ))
      3.900     1.900     1.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  47}
   (( segid "BBBB" and resid 17   and name HN  ))
   (( segid "BBBB" and resid 19   and name HN  ))
 ASSI {  48}
   (( segid "AAAA" and resid 18   and name HN  ))
   (( segid "AAAA" and resid 20   and name HN  ))
      3.900     1.900     1.000 peak    48 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  48}
   (( segid "BBBB" and resid 18   and name HN  ))
   (( segid "BBBB" and resid 20   and name HN  ))
 ASSI {  49}
   (( segid "AAAA" and resid 23   and name HN  ))
   (( segid "AAAA" and resid 19   and name HA  ))
      4.000     2.200     1.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  49}
   (( segid "BBBB" and resid 23   and name HN  ))
   (( segid "BBBB" and resid 19   and name HA  ))
 ASSI {  50}
   (( segid "AAAA" and resid 24   and name HN  ))
   (( segid "AAAA" and resid 20   and name HA  ))
      4.500     2.700     0.500 peak   50 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  50}
   (( segid "BBBB" and resid 24   and name HN  ))
   (( segid "BBBB" and resid 20   and name HA  ))
 ASSI { 51}
   (( segid "AAAA" and resid 25   and name HN  ))
   (( segid "AAAA" and resid 21   and name HA  ))
      4.500     2.700     0.500 peak   51 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 51}
   (( segid "BBBB" and resid 25   and name HN  ))
   (( segid "BBBB" and resid 21   and name HA  ))
 ASSI { 52}
   (( segid "AAAA" and resid 22   and name HN  ))
   (( segid "AAAA" and resid 19   and name HA  ))
      4.500     1.900     1.000 peak   52 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 52}
   (( segid "BBBB" and resid 22   and name HN  ))
   (( segid "BBBB" and resid 19   and name HA  ))
 ASSI { 53}
   (( segid "AAAA" and resid 23   and name HN  ))
   (( segid "AAAA" and resid 20   and name HA  ))
      4.500     2.700     0.500 peak   53 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 53}
   (( segid "BBBB" and resid 23   and name HN  ))
   (( segid "BBBB" and resid 20   and name HA  ))
 ASSI { 54}
   (( segid "AAAA" and resid 24   and name HN  ))
   (( segid "AAAA" and resid 21   and name HA  ))
      4.500     2.700     0.500 peak   54 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 54}
   (( segid "BBBB" and resid 24   and name HN  ))
   (( segid "BBBB" and resid 21   and name HA  ))
 ASSI { 55}
   (( segid "AAAA" and resid 19   and name HA  ))
   (( segid "AAAA" and resid 22   and name HB  ))
      4.000     1.900     1.000 peak   55 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 55}
   (( segid "BBBB" and resid 19   and name HA  ))
   (( segid "BBBB" and resid 22   and name HB  ))
 ASSI { 56}
   (( segid "AAAA" and resid 20   and name HA  ))
   (( segid "AAAA" and resid 23   and name HB2 ))
      4.000     1.900     1.000 peak   56 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 56}
   (( segid "BBBB" and resid 20   and name HA  ))
   (( segid "BBBB" and resid 23   and name HB2 ))
 ASSI { 57}
   (( segid "AAAA" and resid 21   and name HA  ))
   (( segid "AAAA" and resid 24   and name HB1 ))
      3.000     1.900     1.000 peak   57 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 57}
   (( segid "BBBB" and resid 21   and name HA  ))
   (( segid "BBBB" and resid 24   and name HB1 ))
 ASSI {  58}
   (( segid "AAAA" and resid  19   and name HN  ))
   (( segid "AAAA" and resid  21   and name HN  ))
      3.900     1.900     1.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  58}
   (( segid "BBBB" and resid  19   and name HN  ))
   (( segid "BBBB" and resid  21   and name HN  ))
 ASSI {  59}
   (( segid "AAAA" and resid 20   and name HN  ))
   (( segid "AAAA" and resid 22   and name HN  ))
      3.900     1.900     1.000 peak    59 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  59}
   (( segid "BBBB" and resid 20   and name HN  ))
   (( segid "BBBB" and resid 22   and name HN  ))
 ASSI {  60}
   (( segid "AAAA" and resid 21   and name HN  ))
   (( segid "AAAA" and resid 23   and name HN  ))
      3.900     1.900     1.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  60}
   (( segid "BBBB" and resid 21   and name HN  ))
   (( segid "BBBB" and resid 23   and name HN  ))
 ASSI {  88}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 39   and name HN  ))
      3.900     1.900     1.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  88}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 39   and name HN  ))
 ASSI {  75}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      5.000     3.200     1.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  75}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 35   and name HA  ))
 ASSI {  76}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 36   and name HA  ))
      3.900     1.900     1.000 peak    76 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  76}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 36   and name HA  ))
 ASSI {  77}
   (( segid "AAAA" and resid 41   and name HN  ))
   (( segid "AAAA" and resid 37   and name HA  ))
      3.900     1.900     1.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  77}
   (( segid "BBBB" and resid 41   and name HN  ))
   (( segid "BBBB" and resid 37   and name HA  ))
 ASSI {  78}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 38   and name HN  ))
      4.500     1.900     1.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.75132E-03  ppm1      8.269 ppm2      7.025 CV    1
OR {  78}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 38   and name HN  ))
 ASSI {  79}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      4.500     1.900     1.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  79}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 35   and name HA  ))
 ASSI {  80}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 36   and name HA  ))
      3.900     1.900     1.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  80}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 36   and name HA  ))
 ASSI {  81}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 37   and name HA  ))
      3.900     1.900     1.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  81}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 37   and name HA  ))
 ASSI {  82}
   (( segid "AAAA" and resid 35   and name HA  ))
   (( segid "AAAA" and resid 38   and name HB2 ))
      4.000     1.900     1.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  82}
   (( segid "BBBB" and resid 35   and name HA  ))
   (( segid "BBBB" and resid 38   and name HB2 ))
 ASSI {  83}
   (( segid "AAAA" and resid 36   and name HA  ))
   (( segid "AAAA" and resid 39   and name HB2 ))
      4.000     1.900     1.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  83}
   (( segid "BBBB" and resid 36   and name HA  ))
   (( segid "BBBB" and resid 39   and name HB2 ))
 ASSI {  84}
   (( segid "AAAA" and resid 37   and name HA  ))
   (( segid "AAAA" and resid 40   and name HB2 ))
      3.000     1.900     1.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  84}
   (( segid "BBBB" and resid 37   and name HA  ))
   (( segid "BBBB" and resid 40   and name HB2 ))
 ASSI {  85}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 39   and name HN  ))
      3.900     1.900     1.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  85}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 39   and name HN  ))
 ASSI {  86}
   (( segid "AAAA" and resid 35   and name HN  ))
   (( segid "AAAA" and resid 37   and name HN  ))
      3.900     1.900     1.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  86}
   (( segid "BBBB" and resid 35   and name HN  ))
   (( segid "BBBB" and resid 37   and name HN  ))
 ASSI {  87}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 36   and name HN  ))
      3.900     1.900     1.000 peak    87 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  87}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 36   and name HN  ))
 ASSI {  88}
   (( segid "AAAA" and resid 37   and name HN  ))
   (( segid "AAAA" and resid 39   and name HN  ))
      3.900     1.900     1.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  88}
   (( segid "BBBB" and resid 37   and name HN  ))
   (( segid "BBBB" and resid 39   and name HN  ))
 ASSI {  89}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 38   and name HA  ))
      3.900     1.900     1.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  89}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 38   and name HA  ))
 ASSI {  90}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 39   and name HA  ))
      3.900     1.900     1.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  90}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 39   and name HA  ))
 ASSI {  91}
   (( segid "AAAA" and resid 44   and name HN  ))
   (( segid "AAAA" and resid 40   and name HA  ))
      3.900     1.900     1.000 peak    91 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  91}
   (( segid "BBBB" and resid 44   and name HN  ))
   (( segid "BBBB" and resid 40   and name HA  ))
 ASSI {  92}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 35   and name HA  ))
      3.900     1.900     1.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  92}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 35   and name HA  ))
 ASSI {  93}
   (( segid "AAAA" and resid 41   and name HN  ))
   (( segid "AAAA" and resid 38   and name HA  ))
      3.900     1.900     1.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  93}
   (( segid "BBBB" and resid 41   and name HN  ))
   (( segid "BBBB" and resid 38   and name HA  ))
 ASSI {  94}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 39   and name HA  ))
      3.900     1.900     1.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  94}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 39   and name HA  ))
 ASSI {  95}
   (( segid "AAAA" and resid 44   and name HN  ))
   (( segid "AAAA" and resid 40   and name HA  ))
      3.900     1.900     1.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  95}
   (( segid "BBBB" and resid 44   and name HN  ))
   (( segid "BBBB" and resid 40   and name HA  ))
 ASSI {  96}
   (( segid "AAAA" and resid 38   and name HA  ))
   (( segid "AAAA" and resid 41   and name HB2 ))
      3.000     1.900     1.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  96}
   (( segid "BBBB" and resid 38   and name HA  ))
   (( segid "BBBB" and resid 41   and name HB2 ))
 ASSI {  97}
   (( segid "AAAA" and resid 39   and name HA  ))
   (( segid "AAAA" and resid 42   and name HB2 ))
      3.000     1.900     1.000 peak    97 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  97}
   (( segid "BBBB" and resid 39   and name HA  ))
   (( segid "BBBB" and resid 42   and name HB2 ))
 ASSI {  98}
   (( segid "AAAA" and resid 40   and name HA  ))
   (( segid "AAAA" and resid 43   and name HB  ))
      3.000     1.900     1.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR {  98}
   (( segid "BBBB" and resid 40   and name HA  ))
   (( segid "BBBB" and resid 43   and name HB  ))
 ASSI { 100}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 40   and name HN  ))
      3.900     1.900     1.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 100}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 40   and name HN  ))
 ASSI { 101}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 41   and name HN  ))
      3.900     1.900     1.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 101}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 41   and name HN  ))
 ASSI { 102}
   (( segid "AAAA" and resid 38   and name HN  ))
   (( segid "AAAA" and resid 36   and name HN  ))
      3.900     1.900     1.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 102}
   (( segid "BBBB" and resid 38   and name HN  ))
   (( segid "BBBB" and resid 36   and name HN  ))
 ASSI { 103}
   (( segid "AAAA" and resid 40   and name HN  ))
   (( segid "AAAA" and resid 42   and name HN  ))
      3.900     1.900     1.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 103}
   (( segid "BBBB" and resid 40   and name HN  ))
   (( segid "BBBB" and resid 42   and name HN  ))
 ASSI { 104}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 41   and name HA  ))
      3.900     1.900     1.000 peak   104 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 104}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 41   and name HA  ))
 ASSI { 105}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 42   and name HA  ))
      3.900     1.900     1.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 105}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 42   and name HA  ))
 ASSI { 107}
   (( segid "AAAA" and resid 44   and name HN  ))
   (( segid "AAAA" and resid 41   and name HA  ))
      3.900     1.900     1.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 107}
   (( segid "BBBB" and resid 44   and name HN  ))
   (( segid "BBBB" and resid 41   and name HA  ))
 ASSI { 108}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 42   and name HA  ))
      3.900     1.900     1.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 108}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 42   and name HA  ))
 ASSI { 109}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 43   and name HA  ))
      3.900     1.900     1.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 109}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 43   and name HA  ))
 ASSI { 110}
   (( segid "AAAA" and resid 41   and name HA  ))
   (( segid "AAAA" and resid 44   and name HB2 ))
      3.000     1.900     1.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 110}
   (( segid "BBBB" and resid 41   and name HA  ))
   (( segid "BBBB" and resid 44   and name HB2 ))
 ASSI { 111}
   (( segid "AAAA" and resid 42   and name HA  ))
   (( segid "AAAA" and resid 45   and name HB2 ))
      3.000     1.900     1.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 111}
   (( segid "BBBB" and resid 42   and name HA  ))
   (( segid "BBBB" and resid 45   and name HB2 ))
 ASSI { 112}
   (( segid "AAAA" and resid 43   and name HA  ))
   (( segid "AAAA" and resid 46   and name HB2 ))
      3.000     1.900     1.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 112}
   (( segid "BBBB" and resid 43   and name HA  ))
   (( segid "BBBB" and resid 46   and name HB2 ))
 ASSI { 113}
   (( segid "AAAA" and resid 43   and name HN  ))
   (( segid "AAAA" and resid 41   and name HN  ))
      3.900     1.900     1.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 113}
   (( segid "BBBB" and resid 43   and name HN  ))
   (( segid "BBBB" and resid 41   and name HN  ))
 ASSI { 114}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 44   and name HN  ))
      3.900     1.900     1.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 114}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 44   and name HN  ))
 ASSI { 115}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 43   and name HN  ))
      3.900     1.900     1.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 115}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 43   and name HN  ))
 ASSI { 116}
   (( segid "AAAA" and resid 39   and name HN  ))
   (( segid "AAAA" and resid 40   and name HN  ))
      3.900     1.900     1.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 116}
   (( segid "BBBB" and resid 39   and name HN  ))
   (( segid "BBBB" and resid 40   and name HN  ))
 ASSI { 117}
   (( segid "AAAA" and resid 41   and name HN  ))
   (( segid "AAAA" and resid 40   and name HN  ))
      3.900     1.900     1.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 117}
   (( segid "BBBB" and resid 41   and name HN  ))
   (( segid "BBBB" and resid 40   and name HN  ))
 ASSI { 118}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 41   and name HN  ))
      3.900     1.900     1.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 118}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 41   and name HN  ))
  ASSI { 119}
   (( segid "AAAA" and resid 42   and name HN  ))
   (( segid "AAAA" and resid 43   and name HN  ))
      3.900     1.900     1.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 119}
   (( segid "BBBB" and resid 42   and name HN  ))
   (( segid "BBBB" and resid 43   and name HN  ))
 ASSI { 120}
   (( segid "AAAA" and resid 44   and name HN  ))
   (( segid "AAAA" and resid 43   and name HN  ))
      3.900     1.900     1.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 120}
   (( segid "BBBB" and resid 44   and name HN  ))
   (( segid "BBBB" and resid 43   and name HN  ))
 ASSI { 121}
   (( segid "AAAA" and resid 44   and name HN  ))
   (( segid "AAAA" and resid 45   and name HN  ))
      3.900     1.900     1.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 121}
   (( segid "BBBB" and resid 44   and name HN  ))
   (( segid "BBBB" and resid 45   and name HN  ))
 ASSI { 122}
   (( segid "AAAA" and resid 45   and name HN  ))
   (( segid "AAAA" and resid 46   and name HN  ))
      3.900     1.900     1.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 122}
   (( segid "BBBB" and resid 45   and name HN  ))
   (( segid "BBBB" and resid 46   and name HN  ))
 ASSI { 124}
   (( segid "AAAA" and resid 48   and name HN  ))
   (( segid "AAAA" and resid 44   and name HA  ))
      5.000     3.200     1.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 124}
   (( segid "BBBB" and resid 48   and name HN  ))
   (( segid "BBBB" and resid 44   and name HA  ))
 ASSI { 129}
   (( segid "AAAA" and resid 48   and name HN  ))
   (( segid "AAAA" and resid 45   and name HA  ))
      3.900     1.900     1.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 129}
   (( segid "BBBB" and resid 48   and name HN  ))
   (( segid "BBBB" and resid 45   and name HA  ))
 ASSI { 130}
   (( segid "AAAA" and resid 44   and name HA  ))
   (( segid "AAAA" and resid 47   and name HB2 ))
      4.000     1.900     1.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 130}
   (( segid "BBBB" and resid 44   and name HA  ))
   (( segid "BBBB" and resid 47   and name HB2 ))
 ASSI { 131}
   (( segid "AAAA" and resid 45   and name HA  ))
   (( segid "AAAA" and resid 48   and name HB2 ))
      3.000     1.900     1.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 131}
   (( segid "BBBB" and resid 45   and name HA  ))
   (( segid "BBBB" and resid 48   and name HB2 ))
 ASSI { 133}
   (( segid "AAAA" and resid 46   and name HN  ))
   (( segid "AAAA" and resid 44   and name HN  ))
      3.900     1.900     1.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 133}
   (( segid "BBBB" and resid 46   and name HN  ))
   (( segid "BBBB" and resid 44   and name HN  ))
 ASSI { 135}
   (( segid "AAAA" and resid 48   and name HN  ))
   (( segid "AAAA" and resid 46   and name HN  ))
      3.900     1.900     1.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 135}
   (( segid "BBBB" and resid 48   and name HN  ))
   (( segid "BBBB" and resid 46   and name HN  ))
 ASSI { 136}
   (( segid "AAAA" and resid 48   and name HN  ))
   (( segid "AAAA" and resid 49   and name HN  ))
      3.900     1.900     1.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 136}
   (( segid "BBBB" and resid 48   and name HN  ))
   (( segid "BBBB" and resid 49   and name HN  ))
 ASSI { 137}
   (( segid "AAAA" and resid 49   and name HN  ))
   (( segid "AAAA" and resid 50   and name HN  ))
      3.900     1.900     1.000 peak   137 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 137}
   (( segid "BBBB" and resid 49   and name HN  ))
   (( segid "BBBB" and resid 50   and name HN  ))
 ASSI { 138}
   (( segid "AAAA" and resid 50   and name HN  ))
   (( segid "AAAA" and resid 51   and name HN  ))
      3.900     1.900     1.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 138}
   (( segid "BBBB" and resid 50   and name HN  ))
   (( segid "BBBB" and resid 51   and name HN  ))
 ASSI { 139}
   (( segid "AAAA" and resid 51   and name HN  ))
   (( segid "AAAA" and resid 52   and name HN  ))
      3.900     1.900     1.000 peak   139 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 139}
   (( segid "BBBB" and resid 51   and name HN  ))
   (( segid "BBBB" and resid 52   and name HN  ))
 ASSI { 140}
   (( segid "AAAA" and resid 54   and name HN  ))
   (( segid "AAAA" and resid 55   and name HN  ))
      3.900     1.900     1.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 140}
   (( segid "BBBB" and resid 54   and name HN  ))
   (( segid "BBBB" and resid 55   and name HN  ))
 ASSI { 141}
   (( segid "AAAA" and resid 55   and name HN  ))
   (( segid "AAAA" and resid 56   and name HN  ))
      3.900     1.900     1.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 141}
   (( segid "BBBB" and resid 55   and name HN  ))
   (( segid "BBBB" and resid 56   and name HN  ))
 ASSI { 142}
   (( segid "AAAA" and resid 56   and name HN  ))
   (( segid "AAAA" and resid 57   and name HN  ))
      3.900     1.900     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 142}
   (( segid "BBBB" and resid 56   and name HN  ))
   (( segid "BBBB" and resid 57   and name HN  ))
 ASSI { 143}
   (( segid "AAAA" and resid 57   and name HN  ))
   (( segid "AAAA" and resid 58   and name HN  ))
      3.900     1.900     1.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 143}
   (( segid "BBBB" and resid 57   and name HN  ))
   (( segid "BBBB" and resid 58   and name HN  ))
 ASSI { 144}
   (( segid "AAAA" and resid 58   and name HN  ))
   (( segid "AAAA" and resid 59   and name HN  ))
      3.900     1.900     1.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 144}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 59   and name HN  ))
 ASSI { 145}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 60   and name HN  ))
      3.900     1.900     1.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 145}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 60   and name HN  ))
 ASSI { 146}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 61   and name HN  ))
      3.900     1.900     1.000 peak   146 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 146}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 61   and name HN  ))
 ASSI { 147}
   (( segid "AAAA" and resid 61   and name HN  ))
   (( segid "AAAA" and resid 62   and name HN  ))
      3.900     1.900     1.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 147}
   (( segid "BBBB" and resid 61   and name HN  ))
   (( segid "BBBB" and resid 62   and name HN  ))
 ASSI { 148}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 63   and name HN  ))
      3.900     1.900     1.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 148}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 63   and name HN  ))
 ASSI { 149}
   (( segid "AAAA" and resid 64   and name HN  ))
   (( segid "AAAA" and resid 63   and name HN  ))
      3.900     1.900     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 149}
   (( segid "BBBB" and resid 64   and name HN  ))
   (( segid "BBBB" and resid 63   and name HN  ))
 ASSI { 150}
   (( segid "AAAA" and resid 64   and name HN  ))
   (( segid "AAAA" and resid 65   and name HN  ))
      3.900     1.900     1.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 150}
   (( segid "BBBB" and resid 64   and name HN  ))
   (( segid "BBBB" and resid 65   and name HN  ))
 ASSI { 151}
   (( segid "AAAA" and resid 65   and name HN  ))
   (( segid "AAAA" and resid 66   and name HN  ))
      3.900     1.900     1.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 151}
   (( segid "BBBB" and resid 65   and name HN  ))
   (( segid "BBBB" and resid 66   and name HN  ))
 ASSI { 152}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 56   and name HA  ))
      3.900     1.900     1.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 152}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 56   and name HA  ))
 ASSI { 153}
   (( segid "AAAA" and resid 61   and name HN  ))
   (( segid "AAAA" and resid 57   and name HA  ))
      3.900     1.900     1.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 153}
   (( segid "BBBB" and resid 61   and name HN  ))
   (( segid "BBBB" and resid 57   and name HA  ))
 ASSI { 154}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 58   and name HA  ))
      3.900     1.900     1.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 154}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 58   and name HA  ))
 ASSI { 155}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 56   and name HA  ))
      3.900     1.900     1.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 155}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 56   and name HA  ))
 ASSI { 156}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 57   and name HA  ))
      3.900     1.900     1.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 156}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 57   and name HA  ))
 ASSI { 157}
   (( segid "AAAA" and resid 61   and name HN  ))
   (( segid "AAAA" and resid 58   and name HA  ))
      3.900     1.900     1.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 157}
   (( segid "BBBB" and resid 61   and name HN  ))
   (( segid "BBBB" and resid 58   and name HA  ))
 ASSI { 158}
   (( segid "AAAA" and resid 56   and name HA  ))
   (( segid "AAAA" and resid 59   and name HB2 ))
      3.000     1.900     1.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 158}
   (( segid "BBBB" and resid 56   and name HA  ))
   (( segid "BBBB" and resid 59   and name HB2 ))
 ASSI { 159}
   (( segid "AAAA" and resid 57   and name HA  ))
   (( segid "AAAA" and resid 60   and name HB2 ))
      3.000     1.900     1.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 159}
   (( segid "BBBB" and resid 57   and name HA  ))
   (( segid "BBBB" and resid 60   and name HB2 ))
 ASSI { 160}
   (( segid "AAAA" and resid 58   and name HA  ))
   (( segid "AAAA" and resid 61   and name HB2 ))
      3.000     1.900     1.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 160}
   (( segid "BBBB" and resid 58   and name HA  ))
   (( segid "BBBB" and resid 61   and name HB2 ))
 ASSI { 161}
   (( segid "AAAA" and resid 56   and name HN  ))
   (( segid "AAAA" and resid 58   and name HN  ))
      3.900     1.900     1.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 161}
   (( segid "BBBB" and resid 56   and name HN  ))
   (( segid "BBBB" and resid 58   and name HN  ))
 ASSI { 162}
   (( segid "AAAA" and resid 57   and name HN  ))
   (( segid "AAAA" and resid 59   and name HN  ))
      3.900     1.900     1.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 162}
   (( segid "BBBB" and resid 57   and name HN  ))
   (( segid "BBBB" and resid 59   and name HN  ))
 ASSI { 163}
   (( segid "AAAA" and resid 58   and name HN  ))
   (( segid "AAAA" and resid 60   and name HN  ))
      3.900     1.900     1.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 163}
   (( segid "BBBB" and resid 58   and name HN  ))
   (( segid "BBBB" and resid 60   and name HN  ))
 ASSI { 164}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 59   and name HA  ))
      3.900     1.900     1.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 164}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 ASSI { 165}
   (( segid "AAAA" and resid 64   and name HN  ))
   (( segid "AAAA" and resid 60   and name HA  ))
      3.900     1.900     1.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 165}
   (( segid "BBBB" and resid 64   and name HN  ))
   (( segid "BBBB" and resid 60   and name HA  ))
 ASSI { 166}
   (( segid "AAAA" and resid 65   and name HN  ))
   (( segid "AAAA" and resid 61   and name HA  ))
      3.900     1.900     1.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 166}
   (( segid "BBBB" and resid 65   and name HN  ))
   (( segid "BBBB" and resid 61   and name HA  ))
 ASSI { 167}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 59   and name HA  ))
      3.900     1.900     1.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 167}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 ASSI { 168}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 60   and name HA  ))
      3.900     1.900     1.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 167}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 59   and name HA  ))
 ASSI { 169}
   (( segid "AAAA" and resid 64   and name HN  ))
   (( segid "AAAA" and resid 61   and name HA  ))
      3.900     1.900     1.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 169}
   (( segid "BBBB" and resid 64   and name HN  ))
   (( segid "BBBB" and resid 61   and name HA  ))
 ASSI { 170}
   (( segid "AAAA" and resid 59   and name HA  ))
   (( segid "AAAA" and resid 62   and name HB  ))
      3.000     1.900     1.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 170}
   (( segid "BBBB" and resid 59   and name HA  ))
   (( segid "BBBB" and resid 62   and name HB  ))
 ASSI { 171}
   (( segid "AAAA" and resid 60   and name HA  ))
   (( segid "AAAA" and resid 63   and name HB2 ))
      3.000     1.900     1.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 171}
   (( segid "BBBB" and resid 60   and name HA  ))
   (( segid "BBBB" and resid 63   and name HB2 ))
 ASSI { 172}
   (( segid "AAAA" and resid 61   and name HA  ))
   (( segid "AAAA" and resid 64   and name HB2 ))
      3.000     1.900     1.000 peak   172 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 172}
   (( segid "BBBB" and resid 61   and name HA  ))
   (( segid "BBBB" and resid 64   and name HB2 ))
 ASSI { 173}
   (( segid "AAAA" and resid 59   and name HN  ))
   (( segid "AAAA" and resid 61   and name HN  ))
      3.900     1.900     1.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 173}
   (( segid "BBBB" and resid 59   and name HN  ))
   (( segid "BBBB" and resid 61   and name HN  ))
 ASSI { 174}
   (( segid "AAAA" and resid 60   and name HN  ))
   (( segid "AAAA" and resid 62   and name HN  ))
      3.900     1.900     1.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 174}
   (( segid "BBBB" and resid 60   and name HN  ))
   (( segid "BBBB" and resid 62   and name HN  ))
 ASSI { 175}
   (( segid "AAAA" and resid 61   and name HN  ))
   (( segid "AAAA" and resid 63   and name HN  ))
      3.900     1.900     1.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 175}
   (( segid "BBBB" and resid 61   and name HN  ))
   (( segid "BBBB" and resid 63   and name HN  ))
 ASSI { 176}
   (( segid "AAAA" and resid 66   and name HN  ))
   (( segid "AAAA" and resid 62   and name HA  ))
      3.900     1.900     1.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 176}
   (( segid "BBBB" and resid 66   and name HN  ))
   (( segid "BBBB" and resid 62   and name HA  ))
 ASSI { 177}
   (( segid "AAAA" and resid 67   and name HN  ))
   (( segid "AAAA" and resid 63   and name HA  ))
      3.900     1.900     1.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 177}
   (( segid "BBBB" and resid 67   and name HN  ))
   (( segid "BBBB" and resid 63   and name HA  ))
 ASSI { 178}
   (( segid "AAAA" and resid 68   and name HN  ))
   (( segid "AAAA" and resid 64   and name HA  ))
      5.000     3.200     1.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 178}
   (( segid "BBBB" and resid 68   and name HN  ))
   (( segid "BBBB" and resid 64   and name HA  ))
 ASSI { 179}
   (( segid "AAAA" and resid 65   and name HN  ))
   (( segid "AAAA" and resid 62   and name HA  ))
      3.900     1.900     1.000 peak   179 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 179}
   (( segid "BBBB" and resid 65   and name HN  ))
   (( segid "BBBB" and resid 62   and name HA  ))
 ASSI { 180}
   (( segid "AAAA" and resid 66   and name HN  ))
   (( segid "AAAA" and resid 63   and name HA  ))
      3.900     1.900     1.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 180}
   (( segid "BBBB" and resid 66   and name HN  ))
   (( segid "BBBB" and resid 63   and name HA  ))
 ASSI { 181}
   (( segid "AAAA" and resid 67   and name HN  ))
   (( segid "AAAA" and resid 64   and name HA  ))
      3.900     1.900     1.000 peak   181 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 181}
   (( segid "BBBB" and resid 67   and name HN  ))
   (( segid "BBBB" and resid 64   and name HA  ))
 ASSI { 182}
   (( segid "AAAA" and resid 62   and name HA  ))
   (( segid "AAAA" and resid 65   and name HB  ))
      3.000     1.900     1.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 182}
   (( segid "BBBB" and resid 62   and name HA  ))
   (( segid "BBBB" and resid 65   and name HB  ))
 ASSI { 183}
   (( segid "AAAA" and resid 63   and name HA  ))
   (( segid "AAAA" and resid 66   and name HB2 ))
      4.000     1.900     1.000 peak   183 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 183}
   (( segid "BBBB" and resid 63   and name HA  ))
   (( segid "BBBB" and resid 66   and name HB2 ))
 ASSI { 184}
   (( segid "AAAA" and resid 64   and name HA  ))
   (( segid "AAAA" and resid 67   and name HB2 ))
      3.000     1.900     1.000 peak   184 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 184}
   (( segid "BBBB" and resid 64   and name HA  ))
   (( segid "BBBB" and resid 67   and name HB2 ))
 ASSI { 185}
   (( segid "AAAA" and resid 62   and name HN  ))
   (( segid "AAAA" and resid 64   and name HN  ))
      3.900     1.900     1.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 185}
   (( segid "BBBB" and resid 62   and name HN  ))
   (( segid "BBBB" and resid 64   and name HN  ))
 ASSI { 186}
   (( segid "AAAA" and resid 63   and name HN  ))
   (( segid "AAAA" and resid 65   and name HN  ))
      3.900     1.900     1.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 186}
   (( segid "BBBB" and resid 63   and name HN  ))
   (( segid "BBBB" and resid 65   and name HN  ))
 ASSI { 187}
   (( segid "AAAA" and resid 64   and name HN  ))
   (( segid "AAAA" and resid 66   and name HN  ))
      3.900     1.900     1.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 187}
   (( segid "BBBB" and resid 64   and name HN  ))
   (( segid "BBBB" and resid 66   and name HN  ))
 ASSI { 190}
   (( segid "AAAA" and resid 80   and name HN  ))
   (( segid "AAAA" and resid 76   and name HA  ))
      4.200     2.400     1.000 peak   190 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 190}
   (( segid "BBBB" and resid 80   and name HN  ))
   (( segid "BBBB" and resid 76   and name HA  ))
 ASSI { 191}
   (( segid "AAAA" and resid 81   and name HN  ))
   (( segid "AAAA" and resid 77   and name HA  ))
      4.200     2.400     1.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 191}
   (( segid "BBBB" and resid 81   and name HN  ))
   (( segid "BBBB" and resid 77   and name HA  ))
 ASSI { 192}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 75   and name HA  ))
      4.000     2.200     1.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 192}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 75   and name HA  ))
 ASSI { 195}
   (( segid "AAAA" and resid 75   and name HA  ))
   (( segid "AAAA" and resid 78   and name HB2 ))
      3.000     1.900     1.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 195}
   (( segid "BBBB" and resid 75   and name HA  ))
   (( segid "BBBB" and resid 78   and name HB2 ))
 ASSI { 196}
   (( segid "AAAA" and resid 76   and name HA  ))
   (( segid "AAAA" and resid 79   and name HB2 ))
      3.000     1.900     1.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 196}
   (( segid "BBBB" and resid 76   and name HA  ))
   (( segid "BBBB" and resid 79   and name HB2 ))
 ASSI { 197}
   (( segid "AAAA" and resid 77   and name HA  ))
   (( segid "AAAA" and resid 80   and name HB  ))
      3.000     1.900     1.000 peak   197 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 197}
   (( segid "BBBB" and resid 77   and name HA  ))
   (( segid "BBBB" and resid 80   and name HB  ))
 ASSI { 198}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 77   and name HN  ))
      3.900     1.900     1.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 198}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 77   and name HN  ))
 ASSI { 199}
   (( segid "AAAA" and resid 76   and name HN  ))
   (( segid "AAAA" and resid 78   and name HN  ))
      3.900     1.900     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 199}
   (( segid "BBBB" and resid 76   and name HN  ))
   (( segid "BBBB" and resid 78   and name HN  ))
 ASSI { 200}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 79   and name HN  ))
      3.900     1.900     1.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 200}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 79   and name HN  ))
 ASSI { 201}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 78   and name HA  ))
      3.900     1.900     1.000 peak   201 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 201}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 78   and name HA  ))
 ASSI { 202}
   (( segid "AAAA" and resid 83   and name HN  ))
   (( segid "AAAA" and resid 79   and name HA  ))
      4.500     2.700     0.500 peak   202 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 202}
   (( segid "BBBB" and resid 83   and name HN  ))
   (( segid "BBBB" and resid 79   and name HA  ))
 ASSI { 203}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
      4.500     2.700     0.500 peak   203 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 203}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 80   and name HA  ))
 ASSI { 204}
   (( segid "AAAA" and resid 81   and name HN  ))
   (( segid "AAAA" and resid 78   and name HA  ))
      4.500     2.700     0.500 peak   204 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 204}
   (( segid "BBBB" and resid 81   and name HN  ))
   (( segid "BBBB" and resid 78   and name HA  ))
 ASSI { 205}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 79   and name HA  ))
      3.900     1.900     1.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 205}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 79   and name HA  ))
 ASSI { 206}
   (( segid "AAAA" and resid 83   and name HN  ))
   (( segid "AAAA" and resid 80   and name HA  ))
      3.900     1.900     1.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 206}
   (( segid "BBBB" and resid 83   and name HN  ))
   (( segid "BBBB" and resid 80   and name HA  ))
 ASSI { 207}
   (( segid "AAAA" and resid 79   and name HA  ))
   (( segid "AAAA" and resid 82   and name HB2 ))
      3.000     1.900     1.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 207}
   (( segid "BBBB" and resid 79   and name HA  ))
   (( segid "BBBB" and resid 82   and name HB2 ))
 ASSI { 208}
   (( segid "AAAA" and resid 80   and name HA  ))
   (( segid "AAAA" and resid 83   and name HB2 ))
      3.000     1.900     1.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 208}
   (( segid "BBBB" and resid 80   and name HA  ))
   (( segid "BBBB" and resid 83   and name HB2 ))
 ASSI { 209}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 80   and name HN  ))
      3.900     1.900     1.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 209}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 80   and name HN  ))
 ASSI { 210}
   (( segid "AAAA" and resid 79   and name HN  ))
   (( segid "AAAA" and resid 81   and name HN  ))
      3.900     1.900     1.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 210}
   (( segid "BBBB" and resid 79   and name HN  ))
   (( segid "BBBB" and resid 81   and name HN  ))
 ASSI { 211}
   (( segid "AAAA" and resid 80   and name HN  ))
   (( segid "AAAA" and resid 82   and name HN  ))
      3.900     1.900     1.000 peak   211 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 211}
   (( segid "BBBB" and resid 80   and name HN  ))
   (( segid "BBBB" and resid 82   and name HN  ))
 ASSI { 212}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA1 ))
      4.500     2.700     0.500 peak   212 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 212}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA1 ))
OR { 212}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
OR { 212}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA2 ))
 ASSI { 213}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 82   and name HA  ))
      4.500     2.700     0.500 peak   213 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 213}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 82   and name HA  ))
 ASSI { 214}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 83   and name HA  ))
      4.500     2.700     0.500 peak   214 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 214}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 83   and name HA  ))
 ASSI { 215}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA1 ))
      3.900     1.900     1.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 215}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA1 ))
OR { 215}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 81   and name HA2 ))
OR { 215}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 81   and name HA2 ))   
 ASSI { 216}
   (( segid "AAAA" and resid 85   and name HN  ))
   (( segid "AAAA" and resid 82   and name HA  ))
      3.900     1.900     1.000 peak   216 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 216}
   (( segid "BBBB" and resid 85   and name HN  ))
   (( segid "BBBB" and resid 82   and name HA  ))
 ASSI { 217}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 83   and name HA  ))
      3.900     1.900     1.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 217}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 83   and name HA  ))
 ASSI { 218}
   (( segid "AAAA" and resid 81   and name HA1 ))
   (( segid "AAAA" and resid 84   and name HB2 ))
      3.000     1.900     1.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 218}
   (( segid "BBBB" and resid 81   and name HA1 ))
   (( segid "BBBB" and resid 84   and name HB2 ))
 ASSI { 218}
   (( segid "AAAA" and resid 81   and name HA2 ))
   (( segid "AAAA" and resid 84   and name HB2 ))
      3.000     1.900     1.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 218}
   (( segid "BBBB" and resid 81   and name HA2 ))
   (( segid "BBBB" and resid 84   and name HB2 ))
 ASSI { 219}
   (( segid "AAAA" and resid 82   and name HA  ))
   (( segid "AAAA" and resid 85   and name HB2 ))
      3.000     1.900     1.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 219}
   (( segid "BBBB" and resid 82   and name HA  ))
   (( segid "BBBB" and resid 85   and name HB2 ))
 ASSI { 220}
   (( segid "AAAA" and resid 83   and name HA  ))
   (( segid "AAAA" and resid 86   and name HB2 ))
      3.000     1.900     1.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 220}
   (( segid "BBBB" and resid 83   and name HA  ))
   (( segid "BBBB" and resid 86   and name HB2 ))
 ASSI { 221}
   (( segid "AAAA" and resid 81   and name HN  ))
   (( segid "AAAA" and resid 83   and name HN  ))
      3.900     1.900     1.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 221}
   (( segid "BBBB" and resid 81   and name HN  ))
   (( segid "BBBB" and resid 83   and name HN  ))
 ASSI { 222}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 84   and name HN  ))
      3.900     1.900     1.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 222}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 84   and name HN  ))
 ASSI { 223}
   (( segid "AAAA" and resid 83   and name HN  ))
   (( segid "AAAA" and resid 85   and name HN  ))
      3.900     1.900     1.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 223}
   (( segid "BBBB" and resid 83   and name HN  ))
   (( segid "BBBB" and resid 85   and name HN  ))
 ASSI { 224}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 84   and name HA  ))
      3.900     1.900     1.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 224}
   (( segid "BBBB" and resid 88   and name HN  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 ASSI { 225}
   (( segid "AAAA" and resid 89   and name HN  ))
   (( segid "AAAA" and resid 85   and name HA  ))
      3.900     1.900     1.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 225}
   (( segid "BBBB" and resid 89   and name HN  ))
   (( segid "BBBB" and resid 85   and name HA  ))
 ASSI { 226}
   (( segid "AAAA" and resid 90   and name HN  ))
   (( segid "AAAA" and resid 86   and name HA  ))
      4.500     2.700     0.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 226}
   (( segid "BBBB" and resid 90   and name HN  ))
   (( segid "BBBB" and resid 86   and name HA  ))
 ASSI { 227}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 84   and name HA  ))
      4.500     2.700     0.500 peak   227 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 227}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 84   and name HA  ))
 ASSI { 228}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 85   and name HA  ))
      3.900     1.900     1.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 228}
   (( segid "BBBB" and resid 88   and name HN  ))
   (( segid "BBBB" and resid 85   and name HA  ))
 ASSI { 229}
   (( segid "AAAA" and resid 89   and name HN  ))
   (( segid "AAAA" and resid 86   and name HA  ))
      3.900     1.900     1.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 229}
   (( segid "BBBB" and resid 89   and name HN  ))
   (( segid "BBBB" and resid 86   and name HA  ))
 ASSI { 230}
   (( segid "AAAA" and resid 84   and name HA  ))
   (( segid "AAAA" and resid 87   and name HB  ))
      3.000     1.900     1.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 230}
   (( segid "BBBB" and resid 84   and name HA  ))
   (( segid "BBBB" and resid 87   and name HB  ))
 ASSI { 231}
   (( segid "AAAA" and resid 85   and name HA  ))
   (( segid "AAAA" and resid 88   and name HB2 ))
      3.000     1.900     1.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 231}
   (( segid "BBBB" and resid 85   and name HA  ))
   (( segid "BBBB" and resid 88   and name HB2 ))
 ASSI { 232}
   (( segid "AAAA" and resid 86   and name HA  ))
   (( segid "AAAA" and resid 89   and name HB2 ))
      4.500     2.700     1.000 peak   232 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 232}
   (( segid "BBBB" and resid 86   and name HA  ))
   (( segid "BBBB" and resid 89   and name HB2 ))
 ASSI { 233}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 84   and name HN  ))
      3.900     1.900     1.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 233}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 84   and name HN  ))
 ASSI { 234}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 85   and name HN  ))
      3.900     1.900     1.000 peak   234 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 234}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 85   and name HN  ))
 ASSI { 235}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 86   and name HN  ))
      3.900     1.900     1.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 235}
   (( segid "BBBB" and resid 88   and name HN  ))
   (( segid "BBBB" and resid 86   and name HN  ))
 ASSI { 236}
   (( segid "AAAA" and resid 91   and name HN  ))
   (( segid "AAAA" and resid 87   and name HA  ))
      4.500     2.700     0.500 peak   236 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 236}
   (( segid "BBBB" and resid 91   and name HN  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 ASSI { 237}
   (( segid "AAAA" and resid 92   and name HN  ))
   (( segid "AAAA" and resid 88   and name HA  ))
      4.500     2.700     0.500 peak   237 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 237}
   (( segid "BBBB" and resid 92   and name HN  ))
   (( segid "BBBB" and resid 88   and name HA  ))
 ASSI { 238}
   (( segid "AAAA" and resid 93   and name HN  ))
   (( segid "AAAA" and resid 89   and name HA  ))
      4.500     2.700     0.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 238}
   (( segid "BBBB" and resid 93   and name HN  ))
   (( segid "BBBB" and resid 89   and name HA  ))
 ASSI { 240}
   (( segid "AAAA" and resid 90   and name HN  ))
   (( segid "AAAA" and resid 87   and name HA  ))
      3.900     1.900     1.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 240}
   (( segid "BBBB" and resid 90   and name HN  ))
   (( segid "BBBB" and resid 87   and name HA  ))
 ASSI { 241}
   (( segid "AAAA" and resid 91   and name HN  ))
   (( segid "AAAA" and resid 88   and name HA  ))
      3.900     1.900     1.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 241}
   (( segid "BBBB" and resid 91   and name HN  ))
   (( segid "BBBB" and resid 88   and name HA  ))
 ASSI { 242}
   (( segid "AAAA" and resid 92   and name HN  ))
   (( segid "AAAA" and resid 89   and name HA  ))
      3.900     1.900     1.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 242}
   (( segid "BBBB" and resid 92   and name HN  ))
   (( segid "BBBB" and resid 89   and name HA  ))
 ASSI { 243}
   (( segid "AAAA" and resid 87   and name HA  ))
   (( segid "AAAA" and resid 90   and name HB2 ))
      3.000     1.900     1.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 243}
   (( segid "BBBB" and resid 87   and name HA  ))
   (( segid "BBBB" and resid 90   and name HB2 ))
 ASSI { 244}
   (( segid "AAAA" and resid 88   and name HA  ))
   (( segid "AAAA" and resid 91   and name HB2 ))
      3.000     1.900     1.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 244}
   (( segid "BBBB" and resid 88   and name HA  ))
   (( segid "BBBB" and resid 91   and name HB2 ))
 ASSI { 245}
   (( segid "AAAA" and resid 89   and name HA  ))
   (( segid "AAAA" and resid 92   and name HB2 ))
      3.000     1.900     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 245}
   (( segid "BBBB" and resid 89   and name HA  ))
   (( segid "BBBB" and resid 92   and name HB2 ))
 ASSI { 246}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 89   and name HN  ))
      3.900     1.900     1.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 246}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 89   and name HN  ))
 ASSI { 247}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 90   and name HN  ))
      3.900     1.900     1.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 247}
   (( segid "BBBB" and resid 88   and name HN  ))
   (( segid "BBBB" and resid 90   and name HN  ))
 ASSI { 248}
   (( segid "AAAA" and resid 89   and name HN  ))
   (( segid "AAAA" and resid 91   and name HN  ))
      3.900     1.900     1.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 248}
   (( segid "BBBB" and resid 89   and name HN  ))
   (( segid "BBBB" and resid 91   and name HN  ))
 ASSI { 236}
   (( segid "AAAA" and resid 94   and name HN  ))
   (( segid "AAAA" and resid 90   and name HA  ))
      4.500     2.700     0.500 peak   236 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 236}
   (( segid "BBBB" and resid 94   and name HN  ))
   (( segid "BBBB" and resid 90   and name HA  ))
 ASSI { 237}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 91   and name HA  ))
      4.500     2.700     0.500 peak   237 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 237}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 91   and name HA  ))
 ASSI { 238}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 92   and name HA  ))
      4.500     2.700     0.500 peak   238 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 238}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 92   and name HA  ))
 ASSI { 240}
   (( segid "AAAA" and resid 93   and name HN  ))
   (( segid "AAAA" and resid 90   and name HA  ))
      3.900     1.900     1.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 240}
   (( segid "BBBB" and resid 93   and name HN  ))
   (( segid "BBBB" and resid 90   and name HA  ))
 ASSI { 241}
   (( segid "AAAA" and resid 94   and name HN  ))
   (( segid "AAAA" and resid 91   and name HA  ))
      3.900     1.900     1.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 241}
   (( segid "BBBB" and resid 94   and name HN  ))
   (( segid "BBBB" and resid 91   and name HA  ))
 ASSI { 242}
   (( segid "AAAA" and resid 95   and name HN  ))
   (( segid "AAAA" and resid 92   and name HA  ))
      3.900     1.900     1.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 242}
   (( segid "BBBB" and resid 95   and name HN  ))
   (( segid "BBBB" and resid 92   and name HA  ))
 ASSI { 243}
   (( segid "AAAA" and resid 90   and name HA  ))
   (( segid "AAAA" and resid 93   and name HB2 ))
      3.000     1.900     1.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 243}
   (( segid "BBBB" and resid 90   and name HA  ))
   (( segid "BBBB" and resid 93   and name HB2 ))
 ASSI { 245}
   (( segid "AAAA" and resid 92   and name HA  ))
   (( segid "AAAA" and resid 95   and name HB  ))
      3.000     1.900     1.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 245}
   (( segid "BBBB" and resid 92   and name HA  ))
   (( segid "BBBB" and resid 95   and name HB  ))
 ASSI { 246}
   (( segid "AAAA" and resid 90   and name HN  ))
   (( segid "AAAA" and resid 92   and name HN  ))
      3.900     1.900     1.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 246}
   (( segid "BBBB" and resid 90   and name HN  ))
   (( segid "BBBB" and resid 92   and name HN  ))
 ASSI { 247}
   (( segid "AAAA" and resid 91   and name HN  ))
   (( segid "AAAA" and resid 93   and name HN  ))
      3.900     1.900     1.000 peak   247 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 247}
   (( segid "BBBB" and resid 91   and name HN  ))
   (( segid "BBBB" and resid 93   and name HN  ))
 ASSI { 248}
   (( segid "AAAA" and resid 92   and name HN  ))
   (( segid "AAAA" and resid 94   and name HN  ))
      3.900     1.900     1.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 248}
   (( segid "BBBB" and resid 92   and name HN  ))
   (( segid "BBBB" and resid 94   and name HN  ))
 ASSI { 249}
   (( segid "AAAA" and resid 75   and name HN  ))
   (( segid "AAAA" and resid 76   and name HN  ))
      3.900     1.900     1.000 peak   249 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 249}
   (( segid "BBBB" and resid 75   and name HN  ))
   (( segid "BBBB" and resid 76   and name HN  ))
 ASSI { 250}
   (( segid "AAAA" and resid 76   and name HN  ))
   (( segid "AAAA" and resid 77   and name HN  ))
      4.500     2.700     1.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 250}
   (( segid "BBBB" and resid 76   and name HN  ))
   (( segid "BBBB" and resid 77   and name HN  ))
 ASSI { 251}
   (( segid "AAAA" and resid 77   and name HN  ))
   (( segid "AAAA" and resid 78   and name HN  ))
      4.500     2.700     1.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 251}
   (( segid "BBBB" and resid 77   and name HN  ))
   (( segid "BBBB" and resid 78   and name HN  ))
  ASSI { 252}
   (( segid "AAAA" and resid 78   and name HN  ))
   (( segid "AAAA" and resid 79   and name HN  ))
      4.500     2.700     1.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 252}
   (( segid "BBBB" and resid 78   and name HN  ))
   (( segid "BBBB" and resid 79   and name HN  ))
 ASSI { 253}
   (( segid "AAAA" and resid 80   and name HN  ))
   (( segid "AAAA" and resid 79   and name HN  ))
      4.500     2.700     1.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 253}
   (( segid "BBBB" and resid 80   and name HN  ))
   (( segid "BBBB" and resid 79   and name HN  ))
 ASSI { 254}
   (( segid "AAAA" and resid 80   and name HN  ))
   (( segid "AAAA" and resid 81   and name HN  ))
      4.500     2.700     1.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 254}
   (( segid "BBBB" and resid 80   and name HN  ))
   (( segid "BBBB" and resid 81   and name HN  ))
 ASSI { 255}
   (( segid "AAAA" and resid 81   and name HN  ))
   (( segid "AAAA" and resid 82   and name HN  ))
      4.500     2.700     1.000 peak   255 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 255}
   (( segid "BBBB" and resid 81   and name HN  ))
   (( segid "BBBB" and resid 82   and name HN  ))
 ASSI { 256}
   (( segid "AAAA" and resid 82   and name HN  ))
   (( segid "AAAA" and resid 83   and name HN  ))
      4.500     2.700     1.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 256}
   (( segid "BBBB" and resid 82   and name HN  ))
   (( segid "BBBB" and resid 83   and name HN  ))
 ASSI { 257}
   (( segid "AAAA" and resid 83   and name HN  ))
   (( segid "AAAA" and resid 84   and name HN  ))
      4.500     2.700     1.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 257}
   (( segid "BBBB" and resid 83   and name HN  ))
   (( segid "BBBB" and resid 84   and name HN  ))
 ASSI { 258}
   (( segid "AAAA" and resid 84   and name HN  ))
   (( segid "AAAA" and resid 85   and name HN  ))
      4.500     2.700     1.000 peak   258 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 258}
   (( segid "BBBB" and resid 84   and name HN  ))
   (( segid "BBBB" and resid 85   and name HN  ))
 ASSI { 259}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 85   and name HN  ))
      4.500     2.700     1.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 259}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 85   and name HN  ))
 ASSI { 260}
   (( segid "AAAA" and resid 86   and name HN  ))
   (( segid "AAAA" and resid 87   and name HN  ))
      4.500     2.700     1.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 260}
   (( segid "BBBB" and resid 86   and name HN  ))
   (( segid "BBBB" and resid 87   and name HN  ))
 ASSI { 261}
   (( segid "AAAA" and resid 87   and name HN  ))
   (( segid "AAAA" and resid 88   and name HN  ))
      4.500     2.700     1.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 261}
   (( segid "BBBB" and resid 87   and name HN  ))
   (( segid "BBBB" and resid 88   and name HN  ))
 ASSI { 262}
   (( segid "AAAA" and resid 88   and name HN  ))
   (( segid "AAAA" and resid 89   and name HN  ))
      4.500     2.700     1.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 262}
   (( segid "BBBB" and resid 88   and name HN  ))
   (( segid "BBBB" and resid 89   and name HN  ))
 ASSI { 263}
   (( segid "AAAA" and resid 89   and name HN  ))
   (( segid "AAAA" and resid 90   and name HN  ))
      4.500     2.700     1.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 263}
   (( segid "BBBB" and resid 89   and name HN  ))
   (( segid "BBBB" and resid 90   and name HN  ))
 ASSI { 264}
   (( segid "AAAA" and resid 90   and name HN  ))
   (( segid "AAAA" and resid 91   and name HN  ))
      4.500     2.700     1.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 264}
   (( segid "BBBB" and resid 90   and name HN  ))
   (( segid "BBBB" and resid 91   and name HN  ))
 ASSI { 265}
   (( segid "AAAA" and resid 91   and name HN  ))
   (( segid "AAAA" and resid 92   and name HN  ))
      4.500     2.700     1.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 265}
   (( segid "BBBB" and resid 91   and name HN  ))
   (( segid "BBBB" and resid 92   and name HN  ))
 ASSI { 266}
   (( segid "AAAA" and resid 92   and name HN  ))
   (( segid "AAAA" and resid 93   and name HN  ))
      4.500     2.700     1.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 266}
   (( segid "BBBB" and resid 92   and name HN  ))
   (( segid "BBBB" and resid 93   and name HN  ))
 ASSI { 267}
   (( segid "AAAA" and resid 94   and name HN  ))
   (( segid "AAAA" and resid 93   and name HN  ))
      4.500     2.700     1.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 267}
   (( segid "BBBB" and resid 94   and name HN  ))
   (( segid "BBBB" and resid 93   and name HN  ))
 ASSI { 268}
   (( segid "AAAA" and resid 94   and name HN  ))
   (( segid "AAAA" and resid 95   and name HN  ))
      4.500     2.700     1.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 268}
   (( segid "BBBB" and resid 94   and name HN  ))
   (( segid "BBBB" and resid 95   and name HN  ))
 ASSI { 269}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 95   and name HN  ))
      4.500     2.700     1.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 269}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 95   and name HN  ))
 ASSI { 270}
   (( segid "AAAA" and resid 96   and name HN  ))
   (( segid "AAAA" and resid 97   and name HN  ))
      4.500     2.700     1.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.75132E-03 ppm1      8.269 ppm2      7.025 CV    1
OR { 270}
   (( segid "BBBB" and resid 96   and name HN  ))
   (( segid "BBBB" and resid 97   and name HN  ))

!INTER MOLECULAR NOE'S

 ASSI { 1}
   (( segid "AAAA" and resid  2   and name HN  ))
   (( segid "BBBB" and resid 42   and name HB1 ))
      6.000     5.200     0.500 peak  4 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 2}
   (( segid "AAAA" and resid  2   and name HN  ))
   (( segid "BBBB" and resid 42   and name HB2 ))
      6.000     5.200     0.500 peak  5 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 3}
   (( segid "AAAA" and resid  2   and name HN  ))
   (( segid "BBBB" and resid 42   and name HB3 ))
      6.000     5.200     0.500 peak  6 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 4}
   (( segid "AAAA" and resid  2   and name HN  ))
   (( segid "BBBB" and resid 43   and name HG1 ))
      6.000     5.200     0.500 peak  7 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 5}
   (( segid "AAAA" and resid  2   and name HN  ))
   (( segid "BBBB" and resid 43   and name HG21))
      6.000     5.200     1.500 peak  8 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 6}
   (( segid "AAAA" and resid  2   and name HN  ))
   (( segid "BBBB" and resid 43   and name HG22))
      6.000     5.200     1.500 peak  9 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 7}
   (( segid "AAAA" and resid  2   and name HN  ))
   (( segid "BBBB" and resid 43   and name HG23))
      6.000     5.200     1.500 peak  10 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 8}
   (( segid "AAAA" and resid  7   and name HB  ))
   (( segid "BBBB" and resid 20   and name HB1 ))
      6.000     5.200     0.500 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 9}
   (  segid "AAAA" and resid  8    and name HG% )
   (  segid "BBBB" and resid 20    and name HE% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 10}
   (  segid "AAAA" and resid  8    and name HG% )
   (  segid "BBBB" and resid 20    and name HD% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 11}
   (  segid "AAAA" and resid  8    and name HB% )
   (  segid "BBBB" and resid 20    and name HE% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 12}
   (  segid "AAAA" and resid  8    and name HB% )
   (  segid "BBBB" and resid 20    and name HD% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 13}
   (  segid "AAAA" and resid  8    and name HG% )
   (  segid "BBBB" and resid 16    and name HG1% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 14}
   (  segid "AAAA" and resid  8    and name HG% )
   (  segid "BBBB" and resid 16    and name HG2% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 15}
   (  segid "AAAA" and resid  8    and name HG% )
   (  segid "BBBB" and resid 16    and name HG1% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 16}
   (  segid "AAAA" and resid  8    and name HG% )
   (  segid "BBBB" and resid 16    and name HG2% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 17}
   (  segid "AAAA" and resid 12    and name HB% )
   (  segid "BBBB" and resid 16    and name HG1% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 18}
   (  segid "AAAA" and resid 12    and name HB% )
   (  segid "BBBB" and resid 16    and name HG2% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1

ASSI { 19}
   (  segid "AAAA" and resid 12    and name HB% )
   (  segid "BBBB" and resid 12    and name HB% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 20}
   (  segid "AAAA" and resid 14    and name HG% )
   (  segid "BBBB" and resid 12    and name HB% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 21}
   (  segid "AAAA" and resid 14    and name HG% )
   (  segid "BBBB" and resid 12    and name HB% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 22}
   (  segid "AAAA" and resid 15   and name HG2% )
   (  segid "BBBB" and resid 12   and name HB% )
      6.000     5.200     0.500 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 23}
   (  segid "AAAA" and resid 15   and name HG2% )
   (  segid "BBBB" and resid  9   and name HD2% )
      6.000     5.200     0.500 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 24}
   (  segid "AAAA" and resid 15   and name HG2% )
   (  segid "BBBB" and resid  9   and name HD2% )
      6.000     5.200     0.500 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 25}
   (  segid "AAAA" and resid 16   and name HG2% )
   (  segid "BBBB" and resid  9   and name HD1% )
      6.000     5.200     0.500 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 26}
   (  segid "AAAA" and resid 16   and name HG2% )
   (  segid "BBBB" and resid  9   and name HD1% )
      6.000     5.200     0.500 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 27}
   (  segid "AAAA" and resid 22   and name HG2% )
   (  segid "BBBB" and resid  8   and name HG% )
      6.000     5.200     0.500 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 29}
   (( segid "AAAA" and resid  7   and name HB  ))
   (( segid "BBBB" and resid 20   and name HB2 ))
      7.000     5.200     0.500 peak  22 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 30}
   (( segid "AAAA" and resid  9   and name HG  ))
   (( segid "BBBB" and resid 19   and name HG1 ))
      6.000     2.200     0.500 peak  23 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 31}
   (( segid "AAAA" and resid  9   and name HG  ))
   (  segid "BBBB" and resid 19   and name HG2%)
      6.000     5.200     1.500 peak  24 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 32}
   ((  segid "AAAA" and resid  9   and name HB%  ))
   (   segid "BBBB" and resid 19   and name HG2%)
      6.000     5.200     1.500 peak  27 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 33}
   (  segid "AAAA" and resid 11   and name HB% )
   (  segid "BBBB" and resid 16   and name HG1%)
      6.500    4.700     1.500 peak  29 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 34}
   (   segid "AAAA" and resid 11   and name HB% )
   (   segid "BBBB" and resid 16   and name HG2%)
      6.500     4.700     1.500 peak  30 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 35}
   (  segid "AAAA" and resid 11   and name HB% )
   (  segid "BBBB" and resid 15   and name HG2%)
      6.000     5.200     1.500 peak  32 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 36}
   (  segid "AAAA" and resid 12   and name HB% )
   (( segid "BBBB" and resid 15   and name HG1 ))
      6.000     5.200     0.500 peak  33 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 37}
   (( segid "AAAA" and resid 13   and name HB  ))
   (  segid "BBBB" and resid 15   and name HG2%)
      6.000     5.200     1.500 peak  34 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 38}
   (( segid "AAAA" and resid 13   and name HB  ))
   (( segid "BBBB" and resid 15   and name HG1 ))
      6.500     5.200     1.500 peak  35 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 39}
   (( segid "AAAA" and resid 15   and name HB  ))
   (( segid "BBBB" and resid 11   and name HB1 ))
      6.000     5.200     0.500 peak  36 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 40}
   (( segid "AAAA" and resid 15   and name HB  ))
   (( segid "BBBB" and resid 11   and name HB2 ))
      6.000     5.200     0.500 peak  37 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 38}
   (( segid "AAAA" and resid 15   and name HB  ))
   (( segid "BBBB" and resid 11   and name HB3 ))
      6.000     5.200     0.500 peak  38 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 39}
   (  segid "AAAA" and resid 15   and name HG2%)
   (  segid "BBBB" and resid 11   and name HB%)
      6.000     5.200     1.500 peak  39 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 40}
   (( segid "AAAA" and resid 15   and name HB  ))
   (  segid "BBBB" and resid 11   and name HB%)
      6.000     5.200     1.500 peak  40 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 41}
   (( segid "AAAA" and resid 15   and name HB  ))
   (  segid "BBBB" and resid  9   and name HD2%)
      6.000     5.200     1.500 peak  41 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 41}
   (( segid "AAAA" and resid 15   and name HB  ))
   (  segid "BBBB" and resid  9   and name HD1%)
      6.000     5.200     1.500 peak  41 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 42}
   (( segid "AAAA" and resid 16   and name HB  ))
   (  segid "BBBB" and resid 10   and name HB%)
      6.000     5.200     1.500 peak  42 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 43}
   (  segid "AAAA" and resid 84   and name HB%)
   (  segid "BBBB" and resid 10   and name HB%)
      6.500    4.700     2.000 peak  47 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 44}
   (  segid "AAAA" and resid 84   and name HB%)
   (  segid "BBBB" and resid 10   and name HG%)
      6.500    4.700     2.000 peak  47 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 45}
   (  segid "BBBB" and resid 84   and name HB%)
   (  segid "AAAA" and resid 10   and name HB%)
      6.500    4.700     2.000 peak  47 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 46}
   (  segid "BBBB" and resid 84   and name HB%)
   (  segid "AAAA" and resid 10   and name HG%)
      6.500    4.700     2.000 peak  47 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 47}
   (  segid "AAAA" and resid 75   and name HG%)
   (  segid "BBBB" and resid 92   and name HB%)
      6.500    4.700     2.000 peak  47 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 48}
   (  segid "AAAA" and resid 75   and name HB%)
   (  segid "BBBB" and resid 92   and name HB%)
      6.500    4.700     2.000 peak  47 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1

ASSI { 47}
   (( segid "AAAA" and resid 80   and name HB  ))
   (( segid "BBBB" and resid 87   and name HB  ))
      7.000     5.200     1.500 peak  44 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 48}
   (  segid "AAAA" and resid 82   and name HG%)
   (  segid "BBBB" and resid 84   and name HB%)
      6.500    4.700     2.000 peak  47 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 48}
   (( segid "AAAA" and resid 82   and name HB1 ))
   (  segid "BBBB" and resid 87   and name HG1%)
      6.000    5.200     1.500 peak  48 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 49}
   ((  segid "AAAA" and resid 82   and name HB1 ))
   (   segid "BBBB" and resid 87   and name HG2%)
      6.500     4.700     1.500 peak  49 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 50}
   (  segid "AAAA" and resid 82   and name HG% )
   (( segid "BBBB" and resid 87   and name HB  ))
      6.000     5.200     1.500 peak  50 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 51}
   (  segid "AAAA" and resid 82   and name HG%)
   (( segid "BBBB" and resid 87   and name HB  ))
      6.000     5.200     1.500 peak  51 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 57}
   ((  segid "AAAA" and resid 80   and name HB  ))
   (   segid "BBBB" and resid 87   and name HG2%)
      6.000     5.200     1.500 peak  57 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 58}
   (    segid "AAAA" and resid 80   and name HG2%)
   (    segid "BBBB" and resid 87   and name HG2%)
      6.000     5.200     1.500 peak  58 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 60}
   (    segid "AAAA" and resid 78   and name HD%)
   (    segid "BBBB" and resid 91   and name HD%)
      6.000     5.200     1.500 peak  59 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 61}
   ((   segid "AAAA" and resid 77   and name HD1 ))
   (    segid "BBBB" and resid 91   and name HD%)
      6.000     5.200     1.500 peak  59 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 61}
   ((   segid "AAAA" and resid 77   and name HD1 ))
   (    segid "BBBB" and resid 91   and name HZ%)
      6.000     5.200     1.500 peak  59 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 61}
   ((    segid "AAAA" and resid 77   and name HE1 ))
   (     segid "BBBB" and resid 91   and name HD%)
      6.000     5.200     1.500 peak  59 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 61}
   ((   segid "AAAA" and resid 77   and name HE1 ))
   (    segid "BBBB" and resid 91   and name HZ%)
      6.000     5.200     1.500 peak  59 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 61}
   ((   segid "AAAA" and resid 77   and name HZ2 ))
   (    segid "BBBB" and resid 91   and name HB%)
      6.000     5.200     1.500 peak  59 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 61}
   (    segid "AAAA" and resid 84   and name HB%)
   (    segid "BBBB" and resid 84   and name HB%)
      6.000     5.200     1.500 peak  59 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 1}
   (( segid "BBBB" and resid  2   and name HN  ))
   (( segid "AAAA" and resid 42   and name HB1 ))
      6.000     5.200     0.500 peak  4 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 2}
   (( segid "BBBB" and resid  2   and name HN  ))
   (( segid "AAAA" and resid 42   and name HB2 ))
      6.000     5.200     0.500 peak  5 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 3}
   (( segid "BBBB" and resid  2   and name HN  ))
   (( segid "AAAA" and resid 42   and name HB3 ))
      6.000     5.200     0.500 peak  6 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 4}
   (( segid "BBBB" and resid  2   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG1 ))
      6.000     5.200     0.500 peak  7 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 5}
   (( segid "BBBB" and resid  2   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG21))
      6.000     5.200     1.500 peak  8 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 6}
   (( segid "BBBB" and resid  2   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG22))
      6.000     5.200     1.500 peak  9 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 7}
   (( segid "BBBB" and resid  2   and name HN  ))
   (( segid "AAAA" and resid 43   and name HG23))
      6.000     5.200     1.500 peak  10 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 8}
   (( segid "BBBB" and resid  7   and name HB  ))
   (( segid "AAAA" and resid 20   and name HB1 ))
      6.000     5.200     0.500 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 9}
   (  segid "BBBB" and resid  8    and name HG% )
   (  segid "AAAA" and resid 20    and name HE% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 10}
   (  segid "BBBB" and resid  8    and name HG% )
   (  segid "AAAA" and resid 20    and name HD% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 11}
   (  segid "BBBB" and resid  8    and name HB% )
   (  segid "AAAA" and resid 20    and name HE% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 12}
   (  segid "BBBB" and resid  8    and name HB% )
   (  segid "AAAA" and resid 20    and name HD% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 13}
   (  segid "BBBB" and resid  8    and name HG% )
   (  segid "AAAA" and resid 16    and name HG1% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 14}
   (  segid "BBBB" and resid  8    and name HG% )
   (  segid "AAAA" and resid 16    and name HG2% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 15}
   (  segid "BBBB" and resid  8    and name HG% )
   (  segid "AAAA" and resid 16    and name HG1% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 16}
   (  segid "BBBB" and resid  8    and name HG% )
   (  segid "AAAA" and resid 16    and name HG2% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 17}
   (  segid "BBBB" and resid 12    and name HB% )
   (  segid "AAAA" and resid 16    and name HG1% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 18}
   (  segid "BBBB" and resid 12    and name HB% )
   (  segid "AAAA" and resid 16    and name HG2% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1

ASSI { 19}
   (  segid "BBBB" and resid 12    and name HB% )
   (  segid "AAAA" and resid 12    and name HB% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 20}
   (  segid "BBBB" and resid 14    and name HG% )
   (  segid "AAAA" and resid 12    and name HB% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 21}
   (  segid "BBBB" and resid 14    and name HG% )
   (  segid "AAAA" and resid 12    and name HB% )
      6.000     5.200     2.000 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 22}
   (  segid "BBBB" and resid 15   and name HG2% )
   (  segid "AAAA" and resid 12   and name HB% )
      6.000     5.200     0.500 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 23}
   (  segid "BBBB" and resid 15   and name HG2% )
   (  segid "AAAA" and resid  9   and name HD2% )
      6.000     5.200     0.500 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 24}
   (  segid "BBBB" and resid 15   and name HG2% )
   (  segid "AAAA" and resid  9   and name HD2% )
      6.000     5.200     0.500 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 25}
   (  segid "BBBB" and resid 16   and name HG2% )
   (  segid "AAAA" and resid  9   and name HD1% )
      6.000     5.200     0.500 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 27}
   (  segid "BBBB" and resid 22   and name HG2% )
   (  segid "AAAA" and resid  8   and name HG% )
      6.000     5.200     0.500 peak  21 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 29}
   (( segid "BBBB" and resid  7   and name HB  ))
   (( segid "AAAA" and resid 20   and name HB2 ))
      7.000     5.200     0.500 peak  22 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 30}
   (( segid "BBBB" and resid  9   and name HG  ))
   (( segid "AAAA" and resid 19   and name HG1 ))
      6.000     2.200     0.500 peak  23 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 31}
   (( segid "BBBB" and resid  9   and name HG  ))
   (  segid "AAAA" and resid 19   and name HG2%)
      6.000     5.200     1.500 peak  24 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 32}
   ((  segid "BBBB" and resid  9   and name HB%  ))
   (   segid "AAAA" and resid 19   and name HG2%)
      6.000     5.200     1.500 peak  27 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 33}
   (  segid "BBBB" and resid 11   and name HB% )
   (  segid "AAAA" and resid 16   and name HG1%)
      6.500    4.700     1.500 peak  29 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 34}
   (   segid "BBBB" and resid 11   and name HB% )
   (   segid "AAAA" and resid 16   and name HG2%)
      6.500     4.700     1.500 peak  30 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 35}
   (  segid "BBBB" and resid 11   and name HB% )
   (  segid "AAAA" and resid 15   and name HG2%)
      6.000     5.200     1.500 peak  32 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 36}
   (  segid "BBBB" and resid 12   and name HB% )
   (( segid "AAAA" and resid 15   and name HG1 ))
      6.000     5.200     0.500 peak  33 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 37}
   (( segid "BBBB" and resid 13   and name HB  ))
   (  segid "AAAA" and resid 15   and name HG2%)
      6.000     5.200     1.500 peak  34 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 38}
   (( segid "BBBB" and resid 13   and name HB  ))
   (( segid "AAAA" and resid 15   and name HG1 ))
      6.500     5.200     1.500 peak  35 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 39}
   (( segid "BBBB" and resid 15   and name HB  ))
   (( segid "AAAA" and resid 11   and name HB1 ))
      6.000     5.200     0.500 peak  36 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 40}
   (( segid "BBBB" and resid 15   and name HB  ))
   (( segid "AAAA" and resid 11   and name HB2 ))
      6.000     5.200     0.500 peak  37 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 38}
   (( segid "BBBB" and resid 15   and name HB  ))
   (( segid "AAAA" and resid 11   and name HB3 ))
      6.000     5.200     0.500 peak  38 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 39}
   (  segid "BBBB" and resid 15   and name HG2%)
   (  segid "AAAA" and resid 11   and name HB%)
      6.000     5.200     1.500 peak  39 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 40}
   (( segid "BBBB" and resid 15   and name HB  ))
   (  segid "AAAA" and resid 11   and name HB%)
      6.000     5.200     1.500 peak  40 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 41}
   (( segid "BBBB" and resid 15   and name HB  ))
   (  segid "AAAA" and resid  9   and name HD2%)
      6.000     5.200     1.500 peak  41 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 41}
   (( segid "BBBB" and resid 15   and name HB  ))
   (  segid "AAAA" and resid  9   and name HD1%)
      6.000     5.200     1.500 peak  41 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 42}
   (( segid "BBBB" and resid 16   and name HB  ))
   (  segid "AAAA" and resid 10   and name HB%)
      6.000     5.200     1.500 peak  42 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 47}
   (  segid "BBBB" and resid 75   and name HG%)
   (  segid "AAAA" and resid 92   and name HB%)
      6.500    4.700     2.000 peak  47 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 48}
   (  segid "BBBB" and resid 75   and name HB%)
   (  segid "AAAA" and resid 92   and name HB%)
      6.500    4.700     2.000 peak  47 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1

ASSI { 47}
   (( segid "BBBB" and resid 80   and name HB  ))
   (( segid "AAAA" and resid 87   and name HB  ))
      7.000     5.200     1.500 peak  44 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 48}
   (  segid "BBBB" and resid 82   and name HG%)
   (  segid "AAAA" and resid 84   and name HB%)
      6.500    4.700     2.000 peak  47 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 48}
   (( segid "BBBB" and resid 82   and name HB1 ))
   (  segid "AAAA" and resid 87   and name HG1%)
      6.000    5.200     1.500 peak  48 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 49}
   ((  segid "BBBB" and resid 82   and name HB1 ))
   (   segid "AAAA" and resid 87   and name HG2%)
      6.500     4.700     1.500 peak  49 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 50}
   (  segid "BBBB" and resid 82   and name HG% )
   (( segid "AAAA" and resid 87   and name HB  ))
      6.000     5.200     1.500 peak  50 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 51}
   (  segid "BBBB" and resid 82   and name HG%)
   (( segid "AAAA" and resid 87   and name HB  ))
      6.000     5.200     1.500 peak  51 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 57}
   ((  segid "BBBB" and resid 80   and name HB  ))
   (   segid "AAAA" and resid 87   and name HG2%)
      6.000     5.200     1.500 peak  57 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 58}
   (    segid "BBBB" and resid 80   and name HG2%)
   (    segid "AAAA" and resid 87   and name HG2%)
      6.000     5.200     1.500 peak  58 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 60}
   (    segid "BBBB" and resid 78   and name HD%)
   (    segid "AAAA" and resid 91   and name HD%)
      6.000     5.200     1.500 peak  59 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 61}
   ((   segid "BBBB" and resid 77   and name HD1 ))
   (    segid "AAAA" and resid 91   and name HD%)
      6.000     5.200     1.500 peak  59 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 61}
   ((   segid "BBBB" and resid 77   and name HD1 ))
   (    segid "AAAA" and resid 91   and name HZ%)
      6.000     5.200     1.500 peak  59 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 61}
   ((    segid "BBBB" and resid 77   and name HE1 ))
   (     segid "AAAA" and resid 91   and name HD%)
      6.000     5.200     1.500 peak  59 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 61}
   ((   segid "BBBB" and resid 77   and name HE1 ))
   (    segid "AAAA" and resid 91   and name HZ%)
      6.000     5.200     1.500 peak  59 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
ASSI { 61}
   ((   segid "BBBB" and resid 77   and name HZ2 ))
   (    segid "AAAA" and resid 91   and name HB%)
      6.000     5.200     1.500 peak  59 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1
 ASSI { 61}
   (    segid "BBBB" and resid 84   and name HB%)
   (    segid "AAAA" and resid 84   and name HB%)
      6.000     5.200     1.500 peak  59 spectrum    1 weight  0.10000E+01 volume  0.57679E-03 ppm1      8.666 ppm2      1.419 CV     1


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          HT1       MET   1 -18.321   3.713  -3.606
    2   2H    MET   1          HT2       MET   1 -19.003   4.411  -2.226
    3   3H    MET   1          HT3       MET   1 -17.518   3.612  -2.122
    4    HA   MET   1           HA       MET   1 -18.046   6.091  -3.641
    5   1HB   MET   1          HB2       MET   1 -16.750   5.562  -0.977
    6   2HB   MET   1          HB1       MET   1 -16.267   6.939  -1.943
    7   1HG   MET   1          HG2       MET   1 -18.390   6.757  -0.146
    8   2HG   MET   1          HG1       MET   1 -17.948   8.135  -1.077
    9   1HE   MET   1          HE1       MET   1 -20.894   8.828  -0.984
   10   2HE   MET   1          HE2       MET   1 -20.698   7.481   0.137
   11   3HE   MET   1          HE3       MET   1 -21.966   7.432  -1.087
   12    H    ALA   2           HN       ALA   2 -15.751   7.210  -3.798
   13    HA   ALA   2           HA       ALA   2 -14.064   5.240  -5.152
   14   1HB   ALA   2          HB1       ALA   2 -14.476   8.160  -5.724
   15   2HB   ALA   2          HB2       ALA   2 -14.927   6.789  -6.734
   16   3HB   ALA   2          HB3       ALA   2 -13.228   7.180  -6.490
   17    H    ALA   3           HN       ALA   3 -11.757   5.669  -5.211
   18    HA   ALA   3           HA       ALA   3 -10.833   6.484  -2.590
   19   1HB   ALA   3          HB1       ALA   3 -10.041   4.385  -3.705
   20   2HB   ALA   3          HB2       ALA   3  -8.760   5.466  -3.157
   21   3HB   ALA   3          HB3       ALA   3  -9.186   5.401  -4.866
   22    H    GLU   4           HN       GLU   4 -11.391   8.711  -2.962
   23    HA   GLU   4           HA       GLU   4  -9.960  10.234  -4.910
   24   1HB   GLU   4          HB2       GLU   4 -10.760  12.170  -3.283
   25   2HB   GLU   4          HB1       GLU   4 -11.864  11.370  -4.388
   26   1HG   GLU   4          HG2       GLU   4 -12.971  10.286  -2.729
   27   2HG   GLU   4          HG1       GLU   4 -11.561  10.235  -1.674
   28    H    THR   5           HN       THR   5  -9.884  11.265  -1.525
   29    HA   THR   5           HA       THR   5  -7.028  11.605  -1.784
   30    HB   THR   5           HB       THR   5  -8.341  12.257   0.785
   31    HG1  THR   5           HG1      THR   5  -9.899  13.302  -0.218
   32   1HG2  THR   5          HG21      THR   5  -5.951  12.750   0.079
   33   2HG2  THR   5          HG22      THR   5  -6.873  14.107   0.714
   34   3HG2  THR   5          HG23      THR   5  -6.629  13.942  -1.024
   35    H    LEU   6           HN       LEU   6  -6.491  11.389   1.114
   36    HA   LEU   6           HA       LEU   6  -5.625   8.695   1.161
   37   1HB   LEU   6          HB2       LEU   6  -5.535  10.975   3.110
   38   2HB   LEU   6          HB1       LEU   6  -4.970   9.387   3.547
   39    HG   LEU   6           HG       LEU   6  -3.578   9.823   1.247
   40   1HD1  LEU   6          HD11      LEU   6  -2.709  12.069   1.295
   41   2HD1  LEU   6          HD12      LEU   6  -3.709  12.466   2.691
   42   3HD1  LEU   6          HD13      LEU   6  -4.463  12.136   1.134
   43   1HD2  LEU   6          HD21      LEU   6  -3.086   9.902   4.122
   44   2HD2  LEU   6          HD22      LEU   6  -1.917  10.822   3.184
   45   3HD2  LEU   6          HD23      LEU   6  -2.171   9.112   2.838
   46    H    THR   7           HN       THR   7  -7.107   7.103   1.514
   47    HA   THR   7           HA       THR   7  -9.385   7.580   3.206
   48    HB   THR   7           HB       THR   7  -8.806   4.778   2.586
   49    HG1  THR   7           HG1      THR   7  -7.924   5.531   0.702
   50   1HG2  THR   7          HG21      THR   7 -11.147   5.400   1.351
   51   2HG2  THR   7          HG22      THR   7 -11.095   6.628   2.615
   52   3HG2  THR   7          HG23      THR   7 -11.001   4.916   3.039
   53    H    GLU   8           HN       GLU   8  -9.814   5.589   4.812
   54    HA   GLU   8           HA       GLU   8  -8.355   6.014   7.073
   55   1HB   GLU   8          HB2       GLU   8  -9.283   3.222   6.557
   56   2HB   GLU   8          HB1       GLU   8  -9.330   4.156   8.042
   57   1HG   GLU   8          HG2       GLU   8 -11.121   4.423   5.649
   58   2HG   GLU   8          HG1       GLU   8 -11.553   3.907   7.278
   59    H    LEU   9           HN       LEU   9  -7.460   4.038   4.379
   60    HA   LEU   9           HA       LEU   9  -5.546   2.384   5.513
   61   1HB   LEU   9          HB2       LEU   9  -5.378   3.615   2.794
   62   2HB   LEU   9          HB1       LEU   9  -4.799   2.042   3.288
   63    HG   LEU   9           HG       LEU   9  -7.598   2.945   2.719
   64   1HD1  LEU   9          HD11      LEU   9  -6.177   0.431   1.897
   65   2HD1  LEU   9          HD12      LEU   9  -6.099   1.933   0.978
   66   3HD1  LEU   9          HD13      LEU   9  -7.649   1.127   1.221
   67   1HD2  LEU   9          HD21      LEU   9  -6.779   0.630   4.453
   68   2HD2  LEU   9          HD22      LEU   9  -8.321   0.683   3.607
   69   3HD2  LEU   9          HD23      LEU   9  -7.932   1.912   4.808
   70    H    GLU  10           HN       GLU  10  -5.362   5.810   4.772
   71    HA   GLU  10           HA       GLU  10  -2.608   6.107   4.474
   72   1HB   GLU  10          HB2       GLU  10  -3.033   8.374   5.699
   73   2HB   GLU  10          HB1       GLU  10  -3.726   8.080   4.113
   74   1HG   GLU  10          HG2       GLU  10  -5.780   8.301   4.867
   75   2HG   GLU  10          HG1       GLU  10  -5.484   7.194   6.204
   76    H    ALA  11           HN       ALA  11  -4.584   5.728   7.370
   77    HA   ALA  11           HA       ALA  11  -2.678   6.229   9.336
   78   1HB   ALA  11          HB1       ALA  11  -4.122   5.231  10.822
   79   2HB   ALA  11          HB2       ALA  11  -4.553   3.941   9.703
   80   3HB   ALA  11          HB3       ALA  11  -5.226   5.553   9.486
   81    H    ALA  12           HN       ALA  12  -3.214   3.476   7.275
   82    HA   ALA  12           HA       ALA  12  -1.383   1.718   8.561
   83   1HB   ALA  12          HB1       ALA  12  -3.213   0.975   7.045
   84   2HB   ALA  12          HB2       ALA  12  -1.635   0.312   6.625
   85   3HB   ALA  12          HB3       ALA  12  -2.307   1.647   5.690
   86    H    ILE  13           HN       ILE  13  -1.146   4.242   6.185
   87    HA   ILE  13           HA       ILE  13   1.301   3.663   5.032
   88    HB   ILE  13           HB       ILE  13  -0.436   5.652   4.667
   89   1HG1  ILE  13          HG12      ILE  13   1.271   4.943   3.090
   90   2HG1  ILE  13          HG11      ILE  13   1.215   6.701   3.186
   91   1HG2  ILE  13          HG21      ILE  13   0.524   6.713   6.864
   92   2HG2  ILE  13          HG22      ILE  13   0.112   7.726   5.482
   93   3HG2  ILE  13          HG23      ILE  13   1.793   7.286   5.780
   94   1HD1  ILE  13          HD11      ILE  13   3.145   6.592   4.765
   95   2HD1  ILE  13          HD12      ILE  13   3.494   6.056   3.123
   96   3HD1  ILE  13          HD13      ILE  13   3.260   4.869   4.407
   97    H    GLU  14           HN       GLU  14   0.497   4.837   8.184
   98    HA   GLU  14           HA       GLU  14   2.969   5.909   8.973
   99   1HB   GLU  14          HB2       GLU  14   0.726   4.676  10.571
  100   2HB   GLU  14          HB1       GLU  14   2.114   5.470  11.302
  101   1HG   GLU  14          HG2       GLU  14   0.139   6.761   9.432
  102   2HG   GLU  14          HG1       GLU  14   0.167   6.937  11.186
  103    H    THR  15           HN       THR  15   1.688   2.598   9.090
  104    HA   THR  15           HA       THR  15   3.859   1.551  10.624
  105    HB   THR  15           HB       THR  15   2.041   0.088   8.699
  106    HG1  THR  15           HG1      THR  15   0.964  -0.480  10.725
  107   1HG2  THR  15          HG21      THR  15   2.646  -1.901  10.043
  108   2HG2  THR  15          HG22      THR  15   3.819  -0.919  10.919
  109   3HG2  THR  15          HG23      THR  15   4.025  -1.205   9.191
  110    H    VAL  16           HN       VAL  16   3.037   1.158   7.207
  111    HA   VAL  16           HA       VAL  16   5.340  -0.026   6.287
  112    HB   VAL  16           HB       VAL  16   3.353   0.209   4.923
  113   1HG1  VAL  16          HG11      VAL  16   4.023   3.152   4.917
  114   2HG1  VAL  16          HG12      VAL  16   2.620   2.386   5.662
  115   3HG1  VAL  16          HG13      VAL  16   2.792   2.394   3.906
  116   1HG2  VAL  16          HG21      VAL  16   4.510   1.313   2.842
  117   2HG2  VAL  16          HG22      VAL  16   5.128  -0.192   3.506
  118   3HG2  VAL  16          HG23      VAL  16   5.928   1.325   3.885
  119    H    VAL  17           HN       VAL  17   4.712   3.409   6.831
  120    HA   VAL  17           HA       VAL  17   7.207   4.202   5.659
  121    HB   VAL  17           HB       VAL  17   5.183   5.657   5.648
  122   1HG1  VAL  17          HG11      VAL  17   4.486   6.848   7.563
  123   2HG1  VAL  17          HG12      VAL  17   5.885   6.316   8.494
  124   3HG1  VAL  17          HG13      VAL  17   4.622   5.167   8.071
  125   1HG2  VAL  17          HG21      VAL  17   6.427   7.745   6.091
  126   2HG2  VAL  17          HG22      VAL  17   7.353   6.583   5.142
  127   3HG2  VAL  17          HG23      VAL  17   7.698   6.794   6.859
  128    H    SER  18           HN       SER  18   5.949   3.749   8.919
  129    HA   SER  18           HA       SER  18   8.354   4.724  10.159
  130   1HB   SER  18          HB2       SER  18   5.937   3.323  11.316
  131   2HB   SER  18          HB1       SER  18   7.261   3.986  12.275
  132    HG   SER  18           HG       SER  18   5.523   5.426  10.552
  133    H    THR  19           HN       THR  19   7.456   1.768   8.783
  134    HA   THR  19           HA       THR  19   9.111   0.189  10.549
  135    HB   THR  19           HB       THR  19   8.558  -1.727   9.067
  136    HG1  THR  19           HG1      THR  19   7.358   0.333   7.572
  137   1HG2  THR  19          HG21      THR  19   5.974  -1.486   9.503
  138   2HG2  THR  19          HG22      THR  19   6.480  -0.057  10.405
  139   3HG2  THR  19          HG23      THR  19   7.107  -1.644  10.844
  140    H    PHE  20           HN       PHE  20   9.174  -0.141   7.078
  141    HA   PHE  20           HA       PHE  20  12.024  -0.589   7.076
  142   1HB   PHE  20          HB2       PHE  20  10.778  -2.153   5.817
  143   2HB   PHE  20          HB1       PHE  20   9.795  -0.893   5.083
  144    HD1  PHE  20           HD1      PHE  20  13.489  -1.468   5.307
  145    HD2  PHE  20           HD2      PHE  20  10.098  -0.853   2.825
  146    HE1  PHE  20           HE1      PHE  20  14.928  -1.528   3.336
  147    HE2  PHE  20           HE2      PHE  20  11.532  -0.907   0.842
  148    HZ   PHE  20           HZ       PHE  20  13.948  -1.244   1.098
  149    H    PHE  21           HN       PHE  21   9.728   1.714   5.848
  150    HA   PHE  21           HA       PHE  21  11.474   3.090   4.157
  151   1HB   PHE  21          HB2       PHE  21   9.026   4.041   5.637
  152   2HB   PHE  21          HB1       PHE  21   9.804   4.925   4.342
  153    HD1  PHE  21           HD1      PHE  21  10.102   1.574   3.492
  154    HD2  PHE  21           HD2      PHE  21   7.190   4.685   3.687
  155    HE1  PHE  21           HE1      PHE  21   8.695   0.376   1.865
  156    HE2  PHE  21           HE2      PHE  21   5.785   3.478   2.067
  157    HZ   PHE  21           HZ       PHE  21   6.544   1.330   1.152
  158    H    THR  22           HN       THR  22  11.346   2.887   7.558
  159    HA   THR  22           HA       THR  22  12.346   5.468   8.173
  160    HB   THR  22           HB       THR  22  13.091   4.543  10.276
  161    HG1  THR  22           HG1      THR  22  13.904   2.598   9.325
  162   1HG2  THR  22          HG21      THR  22  10.492   3.328   9.397
  163   2HG2  THR  22          HG22      THR  22  10.705   4.983   9.966
  164   3HG2  THR  22          HG23      THR  22  10.988   3.632  11.063
  165    H    PHE  23           HN       PHE  23  13.775   2.862   6.500
  166    HA   PHE  23           HA       PHE  23  16.441   3.266   7.373
  167   1HB   PHE  23          HB2       PHE  23  16.946   1.493   6.088
  168   2HB   PHE  23          HB1       PHE  23  15.215   1.320   5.965
  169    HD1  PHE  23           HD1      PHE  23  17.958   3.150   4.145
  170    HD2  PHE  23           HD2      PHE  23  14.436   0.794   3.968
  171    HE1  PHE  23           HE1      PHE  23  18.173   3.028   1.709
  172    HE2  PHE  23           HE2      PHE  23  14.626   0.678   1.543
  173    HZ   PHE  23           HZ       PHE  23  16.516   1.770   0.403
  174    H    ALA  24           HN       ALA  24  14.417   5.227   5.572
  175    HA   ALA  24           HA       ALA  24  15.875   6.441   3.627
  176   1HB   ALA  24          HB1       ALA  24  13.568   7.083   4.572
  177   2HB   ALA  24          HB2       ALA  24  14.589   8.382   3.959
  178   3HB   ALA  24          HB3       ALA  24  14.464   8.103   5.696
  179    H    GLY  25           HN       GLY  25  16.143   6.801   7.067
  180   1HA   GLY  25          HA2       GLY  25  17.807   8.862   7.517
  181   2HA   GLY  25          HA1       GLY  25  17.959   7.320   8.372
  182    H    ARG  26           HN       ARG  26  18.730   5.887   5.905
  183    HA   ARG  26           HA       ARG  26  21.467   5.902   6.079
  184   1HB   ARG  26          HB2       ARG  26  19.735   5.288   3.685
  185   2HB   ARG  26          HB1       ARG  26  21.454   4.935   3.757
  186   1HG   ARG  26          HG2       ARG  26  19.489   3.847   5.748
  187   2HG   ARG  26          HG1       ARG  26  19.888   3.036   4.233
  188   1HD   ARG  26          HD2       ARG  26  21.275   2.075   5.885
  189   2HD   ARG  26          HD1       ARG  26  22.285   3.145   4.925
  190    HE   ARG  26           HE       ARG  26  21.224   4.395   7.278
  191   1HH1  ARG  26          HH11      ARG  26  23.786   2.400   6.016
  192   2HH1  ARG  26          HH12      ARG  26  24.901   2.805   7.278
  193   1HH2  ARG  26          HH21      ARG  26  22.684   4.934   8.948
  194   2HH2  ARG  26          HH22      ARG  26  24.273   4.245   8.945
  195    H    GLU  27           HN       GLU  27  19.440   7.794   3.893
  196    HA   GLU  27           HA       GLU  27  21.748   9.158   2.787
  197   1HB   GLU  27          HB2       GLU  27  18.796   9.627   2.310
  198   2HB   GLU  27          HB1       GLU  27  20.114  10.330   1.383
  199   1HG   GLU  27          HG2       GLU  27  19.466   7.395   1.562
  200   2HG   GLU  27          HG1       GLU  27  19.067   8.461   0.216
  201    H    GLY  28           HN       GLY  28  22.582  10.952   3.595
  202   1HA   GLY  28          HA2       GLY  28  22.055  12.104   5.976
  203   2HA   GLY  28          HA1       GLY  28  22.731  13.009   4.634
  204    H    ARG  29           HN       ARG  29  21.236  14.097   3.194
  205    HA   ARG  29           HA       ARG  29  19.547  15.827   4.401
  206   1HB   ARG  29          HB2       ARG  29  20.284  16.002   2.056
  207   2HB   ARG  29          HB1       ARG  29  19.186  14.703   1.618
  208   1HG   ARG  29          HG2       ARG  29  18.236  16.829   1.007
  209   2HG   ARG  29          HG1       ARG  29  17.284  16.106   2.302
  210   1HD   ARG  29          HD2       ARG  29  18.391  17.537   3.933
  211   2HD   ARG  29          HD1       ARG  29  19.400  18.224   2.663
  212    HE   ARG  29           HE       ARG  29  16.662  18.555   2.034
  213   1HH1  ARG  29          HH11      ARG  29  19.147  19.765   4.149
  214   2HH1  ARG  29          HH12      ARG  29  18.442  21.340   4.292
  215   1HH2  ARG  29          HH21      ARG  29  15.722  20.627   2.212
  216   2HH2  ARG  29          HH22      ARG  29  16.494  21.831   3.191
  217    H    LYS  30           HN       LYS  30  17.178  16.077   4.288
  218    HA   LYS  30           HA       LYS  30  15.866  13.561   5.015
  219   1HB   LYS  30          HB2       LYS  30  14.748  16.349   5.337
  220   2HB   LYS  30          HB1       LYS  30  14.235  14.877   6.151
  221   1HG   LYS  30          HG2       LYS  30  16.841  16.324   6.565
  222   2HG   LYS  30          HG1       LYS  30  15.471  16.280   7.676
  223   1HD   LYS  30          HD2       LYS  30  17.094  13.891   6.801
  224   2HD   LYS  30          HD1       LYS  30  17.258  14.729   8.345
  225   1HE   LYS  30          HE2       LYS  30  14.941  14.165   8.894
  226   2HE   LYS  30          HE1       LYS  30  14.778  13.328   7.350
  227   1HZ   LYS  30          HZ1       LYS  30  16.481  11.773   8.043
  228   2HZ   LYS  30          HZ2       LYS  30  15.220  11.794   9.170
  229   3HZ   LYS  30          HZ3       LYS  30  16.675  12.587   9.513
  230    H    GLY  31           HN       GLY  31  16.285  13.610   2.416
  231   1HA   GLY  31          HA2       GLY  31  13.854  14.645   1.087
  232   2HA   GLY  31          HA1       GLY  31  15.310  14.068   0.278
  233    H    SER  32           HN       SER  32  15.754  11.724   0.456
  234    HA   SER  32           HA       SER  32  13.325  10.235   1.049
  235   1HB   SER  32          HB2       SER  32  13.672   8.936  -1.111
  236   2HB   SER  32          HB1       SER  32  12.971  10.550  -1.234
  237    HG   SER  32           HG       SER  32  15.574   9.674  -1.881
  238    H    LEU  33           HN       LEU  33  13.659   7.932   0.557
  239    HA   LEU  33           HA       LEU  33  16.074   7.025   1.896
  240   1HB   LEU  33          HB2       LEU  33  14.053   6.266   2.870
  241   2HB   LEU  33          HB1       LEU  33  13.390   5.933   1.301
  242    HG   LEU  33           HG       LEU  33  15.706   4.326   2.235
  243   1HD1  LEU  33          HD11      LEU  33  14.548   3.717   4.064
  244   2HD1  LEU  33          HD12      LEU  33  13.527   2.826   2.936
  245   3HD1  LEU  33          HD13      LEU  33  13.060   4.424   3.472
  246   1HD2  LEU  33          HD21      LEU  33  13.657   4.286   0.167
  247   2HD2  LEU  33          HD22      LEU  33  13.861   2.740   0.981
  248   3HD2  LEU  33          HD23      LEU  33  15.234   3.525   0.212
  249    H    ASN  34           HN       ASN  34  17.196   5.016   0.925
  250    HA   ASN  34           HA       ASN  34  16.847   5.252  -1.986
  251   1HB   ASN  34          HB2       ASN  34  18.837   6.405  -1.049
  252   2HB   ASN  34          HB1       ASN  34  19.473   4.833  -0.575
  253   1HD2  ASN  34          HD21      ASN  34  21.267   4.999  -1.896
  254   2HD2  ASN  34          HD22      ASN  34  21.170   4.874  -3.617
  255    H    ILE  35           HN       ILE  35  19.317   3.073  -1.346
  256    HA   ILE  35           HA       ILE  35  17.540   0.838  -1.160
  257    HB   ILE  35           HB       ILE  35  18.955  -0.216  -3.093
  258   1HG1  ILE  35          HG12      ILE  35  19.534   1.422  -4.834
  259   2HG1  ILE  35          HG11      ILE  35  19.047   2.734  -3.770
  260   1HG2  ILE  35          HG21      ILE  35  16.559   1.538  -3.215
  261   2HG2  ILE  35          HG22      ILE  35  16.701  -0.197  -3.490
  262   3HG2  ILE  35          HG23      ILE  35  17.246   0.942  -4.719
  263   1HD1  ILE  35          HD11      ILE  35  20.842   2.252  -2.262
  264   2HD1  ILE  35          HD12      ILE  35  21.488   2.411  -3.896
  265   3HD1  ILE  35          HD13      ILE  35  21.281   0.813  -3.181
  266    H    ASN  36           HN       ASN  36  19.550   2.015   0.550
  267    HA   ASN  36           HA       ASN  36  21.768   0.173   0.524
  268   1HB   ASN  36          HB2       ASN  36  21.994   2.558   1.296
  269   2HB   ASN  36          HB1       ASN  36  20.984   2.144   2.679
  270   1HD2  ASN  36          HD21      ASN  36  21.813   0.847   4.301
  271   2HD2  ASN  36          HD22      ASN  36  23.501   0.520   4.455
  272    H    GLU  37           HN       GLU  37  19.337   0.984   3.016
  273    HA   GLU  37           HA       GLU  37  19.682  -1.632   4.134
  274   1HB   GLU  37          HB2       GLU  37  17.345   0.073   4.791
  275   2HB   GLU  37          HB1       GLU  37  18.211  -1.048   5.817
  276   1HG   GLU  37          HG2       GLU  37  20.185   0.609   5.304
  277   2HG   GLU  37          HG1       GLU  37  18.848   1.744   5.110
  278    H    PHE  38           HN       PHE  38  17.745  -0.292   1.585
  279    HA   PHE  38           HA       PHE  38  15.594  -2.031   1.607
  280   1HB   PHE  38          HB2       PHE  38  16.090  -0.112  -0.008
  281   2HB   PHE  38          HB1       PHE  38  17.127  -1.237  -0.879
  282    HD1  PHE  38           HD1      PHE  38  14.047   0.228  -0.895
  283    HD2  PHE  38           HD2      PHE  38  15.835  -3.602  -1.313
  284    HE1  PHE  38           HE1      PHE  38  12.079  -0.545  -2.160
  285    HE2  PHE  38           HE2      PHE  38  13.873  -4.391  -2.574
  286    HZ   PHE  38           HZ       PHE  38  11.992  -2.859  -3.001
  287    H    LYS  39           HN       LYS  39  18.956  -2.471   0.930
  288    HA   LYS  39           HA       LYS  39  18.847  -4.931  -0.336
  289   1HB   LYS  39          HB2       LYS  39  21.075  -4.005   1.444
  290   2HB   LYS  39          HB1       LYS  39  21.184  -5.097   0.071
  291   1HG   LYS  39          HG2       LYS  39  20.015  -2.658  -0.752
  292   2HG   LYS  39          HG1       LYS  39  21.534  -2.324   0.085
  293   1HD   LYS  39          HD2       LYS  39  21.164  -4.238  -2.221
  294   2HD   LYS  39          HD1       LYS  39  21.894  -2.634  -2.320
  295   1HE   LYS  39          HE2       LYS  39  22.933  -4.996  -0.757
  296   2HE   LYS  39          HE1       LYS  39  23.624  -4.326  -2.234
  297   1HZ   LYS  39          HZ1       LYS  39  24.832  -3.584  -0.284
  298   2HZ   LYS  39          HZ2       LYS  39  23.423  -2.921   0.376
  299   3HZ   LYS  39          HZ3       LYS  39  24.080  -2.272  -1.041
  300    H    GLU  40           HN       GLU  40  18.176  -4.089   2.765
  301    HA   GLU  40           HA       GLU  40  18.630  -6.670   3.942
  302   1HB   GLU  40          HB2       GLU  40  18.033  -5.717   5.965
  303   2HB   GLU  40          HB1       GLU  40  18.604  -4.295   5.099
  304   1HG   GLU  40          HG2       GLU  40  16.682  -3.402   5.829
  305   2HG   GLU  40          HG1       GLU  40  15.993  -4.243   4.439
  306    H    LEU  41           HN       LEU  41  16.395  -5.427   1.798
  307    HA   LEU  41           HA       LEU  41  14.018  -6.632   2.811
  308   1HB   LEU  41          HB2       LEU  41  14.650  -5.535   0.075
  309   2HB   LEU  41          HB1       LEU  41  13.067  -6.090   0.577
  310    HG   LEU  41           HG       LEU  41  14.522  -3.597   1.291
  311   1HD1  LEU  41          HD11      LEU  41  11.704  -3.372   1.213
  312   2HD1  LEU  41          HD12      LEU  41  12.216  -4.352  -0.161
  313   3HD1  LEU  41          HD13      LEU  41  12.896  -2.742   0.077
  314   1HD2  LEU  41          HD21      LEU  41  12.834  -5.169   3.155
  315   2HD2  LEU  41          HD22      LEU  41  12.575  -3.430   3.086
  316   3HD2  LEU  41          HD23      LEU  41  14.169  -4.067   3.490
  317    H    ALA  42           HN       ALA  42  14.965  -7.276  -0.528
  318    HA   ALA  42           HA       ALA  42  13.957  -9.715  -0.853
  319   1HB   ALA  42          HB1       ALA  42  15.845 -10.170  -2.424
  320   2HB   ALA  42          HB2       ALA  42  16.494  -8.621  -1.900
  321   3HB   ALA  42          HB3       ALA  42  14.920  -8.692  -2.677
  322    H    THR  43           HN       THR  43  16.941  -8.990   0.769
  323    HA   THR  43           HA       THR  43  18.025 -11.557   0.969
  324    HB   THR  43           HB       THR  43  19.230 -10.412   2.949
  325    HG1  THR  43           HG1      THR  43  18.282  -8.017   1.793
  326   1HG2  THR  43          HG21      THR  43  20.605  -9.034   1.398
  327   2HG2  THR  43          HG22      THR  43  19.396  -9.320   0.146
  328   3HG2  THR  43          HG23      THR  43  20.314 -10.671   0.814
  329    H    GLN  44           HN       GLN  44  16.317  -9.584   3.388
  330    HA   GLN  44           HA       GLN  44  16.087 -11.764   5.186
  331   1HB   GLN  44          HB2       GLN  44  14.817  -9.022   5.304
  332   2HB   GLN  44          HB1       GLN  44  14.944 -10.166   6.640
  333   1HG   GLN  44          HG2       GLN  44  17.262  -8.875   5.220
  334   2HG   GLN  44          HG1       GLN  44  16.597  -8.363   6.772
  335   1HE2  GLN  44          HE21      GLN  44  16.931  -9.640   8.587
  336   2HE2  GLN  44          HE22      GLN  44  18.141 -10.872   8.637
  337    H    GLN  45           HN       GLN  45  14.040 -10.139   2.880
  338    HA   GLN  45           HA       GLN  45  11.660 -11.535   3.767
  339   1HB   GLN  45          HB2       GLN  45  10.494 -10.352   2.089
  340   2HB   GLN  45          HB1       GLN  45  11.707  -9.219   2.670
  341   1HG   GLN  45          HG2       GLN  45  13.131 -10.118   0.741
  342   2HG   GLN  45          HG1       GLN  45  11.613 -10.728   0.098
  343   1HE2  GLN  45          HE21      GLN  45  10.160  -8.375   1.264
  344   2HE2  GLN  45          HE22      GLN  45  10.535  -7.063   0.203
  345    H    LEU  46           HN       LEU  46  14.368 -12.274   1.859
  346    HA   LEU  46           HA       LEU  46  13.574 -13.809  -0.195
  347   1HB   LEU  46          HB2       LEU  46  15.897 -13.761   1.509
  348   2HB   LEU  46          HB1       LEU  46  15.499 -15.408   1.080
  349    HG   LEU  46           HG       LEU  46  16.146 -13.159  -0.816
  350   1HD1  LEU  46          HD11      LEU  46  18.068 -14.169   0.264
  351   2HD1  LEU  46          HD12      LEU  46  18.006 -14.604  -1.443
  352   3HD1  LEU  46          HD13      LEU  46  17.512 -15.771  -0.217
  353   1HD2  LEU  46          HD21      LEU  46  14.379 -14.447  -1.819
  354   2HD2  LEU  46          HD22      LEU  46  15.175 -15.956  -1.378
  355   3HD2  LEU  46          HD23      LEU  46  15.904 -14.893  -2.581
  356    HA   PRO  47           HA       PRO  47  12.453 -17.589   2.232
  357   1HB   PRO  47          HB2       PRO  47  13.051 -17.970   4.795
  358   2HB   PRO  47          HB1       PRO  47  14.282 -18.171   3.543
  359   1HG   PRO  47          HG2       PRO  47  13.802 -15.833   5.354
  360   2HG   PRO  47          HG1       PRO  47  15.334 -16.622   4.932
  361   1HD   PRO  47          HD2       PRO  47  14.433 -14.334   3.726
  362   2HD   PRO  47          HD1       PRO  47  15.494 -15.516   2.936
  363    H    HIS  48           HN       HIS  48  10.482 -16.451   1.934
  364    HA   HIS  48           HA       HIS  48   9.109 -15.598   4.358
  365   1HB   HIS  48          HB2       HIS  48   8.881 -14.811   1.612
  366   2HB   HIS  48          HB1       HIS  48   7.361 -15.556   2.103
  367    HD1  HIS  48           HD1      HIS  48   6.132 -14.473   4.163
  368    HD2  HIS  48           HD2      HIS  48   9.357 -12.315   2.683
  369    HE1  HIS  48           HE1      HIS  48   5.942 -12.195   5.196
  370    HE2  HIS  48           HE2      HIS  48   7.949 -10.927   4.349
  371    H    LEU  49           HN       LEU  49   6.534 -16.322   3.756
  372    HA   LEU  49           HA       LEU  49   6.583 -19.191   4.128
  373   1HB   LEU  49          HB2       LEU  49   4.332 -17.167   3.962
  374   2HB   LEU  49          HB1       LEU  49   4.049 -18.891   4.121
  375    HG   LEU  49           HG       LEU  49   5.463 -17.124   6.119
  376   1HD1  LEU  49          HD11      LEU  49   3.546 -17.583   7.541
  377   2HD1  LEU  49          HD12      LEU  49   2.806 -18.541   6.258
  378   3HD1  LEU  49          HD13      LEU  49   3.039 -16.806   6.042
  379   1HD2  LEU  49          HD21      LEU  49   5.510 -19.107   7.548
  380   2HD2  LEU  49          HD22      LEU  49   6.439 -19.358   6.070
  381   3HD2  LEU  49          HD23      LEU  49   4.834 -20.072   6.236
  382    H    LEU  50           HN       LEU  50   4.432 -17.303   2.051
  383    HA   LEU  50           HA       LEU  50   4.863 -19.105  -0.183
  384   1HB   LEU  50          HB2       LEU  50   2.597 -18.252   0.409
  385   2HB   LEU  50          HB1       LEU  50   3.135 -16.631   0.015
  386    HG   LEU  50           HG       LEU  50   3.477 -17.301  -2.320
  387   1HD1  LEU  50          HD11      LEU  50   4.031 -19.643  -1.957
  388   2HD1  LEU  50          HD12      LEU  50   2.699 -19.480  -3.100
  389   3HD1  LEU  50          HD13      LEU  50   2.378 -19.963  -1.435
  390   1HD2  LEU  50          HD21      LEU  50   1.118 -17.598  -2.913
  391   2HD2  LEU  50          HD22      LEU  50   1.328 -16.378  -1.657
  392   3HD2  LEU  50          HD23      LEU  50   0.750 -17.989  -1.233
  393    H    LYS  51           HN       LYS  51   7.234 -17.941   0.342
  394    HA   LYS  51           HA       LYS  51   7.993 -15.502  -0.437
  395   1HB   LYS  51          HB2       LYS  51   9.592 -17.077   0.362
  396   2HB   LYS  51          HB1       LYS  51   9.367 -18.109  -1.043
  397   1HG   LYS  51          HG2       LYS  51  10.237 -16.187  -2.428
  398   2HG   LYS  51          HG1       LYS  51  10.714 -15.404  -0.922
  399   1HD   LYS  51          HD2       LYS  51  11.871 -17.741  -2.351
  400   2HD   LYS  51          HD1       LYS  51  12.671 -16.474  -1.428
  401   1HE   LYS  51          HE2       LYS  51  11.599 -17.643   0.622
  402   2HE   LYS  51          HE1       LYS  51  11.406 -19.011  -0.465
  403   1HZ   LYS  51          HZ1       LYS  51  13.789 -18.973  -0.875
  404   2HZ   LYS  51          HZ2       LYS  51  13.464 -19.173   0.774
  405   3HZ   LYS  51          HZ3       LYS  51  13.975 -17.670   0.189
  406    H    ASP  52           HN       ASP  52   8.770 -14.507  -2.249
  407    HA   ASP  52           HA       ASP  52   7.430 -15.248  -4.740
  408   1HB   ASP  52          HB2       ASP  52   7.199 -12.919  -3.862
  409   2HB   ASP  52          HB1       ASP  52   8.937 -12.714  -4.055
  410    H    VAL  53           HN       VAL  53  10.593 -14.552  -3.375
  411    HA   VAL  53           HA       VAL  53  12.553 -15.653  -3.864
  412    HB   VAL  53           HB       VAL  53  11.158 -17.091  -5.516
  413   1HG1  VAL  53          HG11      VAL  53  11.291 -15.125  -7.256
  414   2HG1  VAL  53          HG12      VAL  53  11.369 -16.808  -7.776
  415   3HG1  VAL  53          HG13      VAL  53  12.849 -15.862  -7.631
  416   1HG2  VAL  53          HG21      VAL  53  13.218 -18.171  -6.275
  417   2HG2  VAL  53          HG22      VAL  53  13.297 -17.716  -4.572
  418   3HG2  VAL  53          HG23      VAL  53  14.133 -16.746  -5.784
  419    H    GLY  54           HN       GLY  54  13.320 -13.661  -3.388
  420   1HA   GLY  54          HA2       GLY  54  13.570 -11.515  -5.209
  421   2HA   GLY  54          HA1       GLY  54  14.537 -11.747  -3.758
  422    H    SER  55           HN       SER  55  14.297 -12.367  -7.187
  423    HA   SER  55           HA       SER  55  16.584 -13.934  -7.533
  424   1HB   SER  55          HB2       SER  55  14.841 -13.446  -9.280
  425   2HB   SER  55          HB1       SER  55  15.560 -11.848  -9.468
  426    HG   SER  55           HG       SER  55  16.657 -14.370 -10.080
  427    H    LEU  56           HN       LEU  56  18.695 -13.507  -7.357
  428    HA   LEU  56           HA       LEU  56  19.821 -11.392  -6.125
  429   1HB   LEU  56          HB2       LEU  56  21.035 -12.969  -8.393
  430   2HB   LEU  56          HB1       LEU  56  21.943 -11.933  -7.307
  431    HG   LEU  56           HG       LEU  56  20.409 -14.407  -6.505
  432   1HD1  LEU  56          HD11      LEU  56  22.625 -15.347  -6.064
  433   2HD1  LEU  56          HD12      LEU  56  23.371 -13.883  -6.702
  434   3HD1  LEU  56          HD13      LEU  56  22.424 -14.925  -7.764
  435   1HD2  LEU  56          HD21      LEU  56  20.393 -12.739  -4.739
  436   2HD2  LEU  56          HD22      LEU  56  22.140 -12.546  -4.880
  437   3HD2  LEU  56          HD23      LEU  56  21.464 -14.074  -4.315
  438    H    ASP  57           HN       ASP  57  19.847 -11.646  -9.698
  439    HA   ASP  57           HA       ASP  57  20.798  -9.081 -10.196
  440   1HB   ASP  57          HB2       ASP  57  19.364  -9.313 -12.349
  441   2HB   ASP  57          HB1       ASP  57  20.743 -10.387 -12.112
  442    H    GLU  58           HN       GLU  58  17.450 -10.224 -10.009
  443    HA   GLU  58           HA       GLU  58  16.136  -7.844 -10.525
  444   1HB   GLU  58          HB2       GLU  58  15.080 -10.131 -10.216
  445   2HB   GLU  58          HB1       GLU  58  15.218  -9.877  -8.478
  446   1HG   GLU  58          HG2       GLU  58  13.793  -7.928  -8.624
  447   2HG   GLU  58          HG1       GLU  58  13.692  -8.112 -10.375
  448    H    LYS  59           HN       LYS  59  17.457  -9.146  -7.546
  449    HA   LYS  59           HA       LYS  59  16.593  -7.091  -5.870
  450   1HB   LYS  59          HB2       LYS  59  18.985  -8.900  -5.573
  451   2HB   LYS  59          HB1       LYS  59  18.325  -7.890  -4.296
  452   1HG   LYS  59          HG2       LYS  59  16.345  -9.169  -4.160
  453   2HG   LYS  59          HG1       LYS  59  16.674  -9.972  -5.688
  454   1HD   LYS  59          HD2       LYS  59  17.089 -11.362  -3.639
  455   2HD   LYS  59          HD1       LYS  59  18.450 -11.242  -4.752
  456   1HE   LYS  59          HE2       LYS  59  19.249  -9.324  -3.247
  457   2HE   LYS  59          HE1       LYS  59  18.062  -9.924  -2.089
  458   1HZ   LYS  59          HZ1       LYS  59  20.310 -11.488  -3.228
  459   2HZ   LYS  59          HZ2       LYS  59  19.155 -12.081  -2.144
  460   3HZ   LYS  59          HZ3       LYS  59  20.227 -10.868  -1.656
  461    H    MET  60           HN       MET  60  19.170  -7.283  -8.128
  462    HA   MET  60           HA       MET  60  20.603  -5.039  -7.085
  463   1HB   MET  60          HB2       MET  60  20.873  -6.597  -9.657
  464   2HB   MET  60          HB1       MET  60  21.937  -5.270  -9.204
  465   1HG   MET  60          HG2       MET  60  21.563  -7.804  -7.623
  466   2HG   MET  60          HG1       MET  60  22.897  -7.482  -8.732
  467   1HE   MET  60          HE1       MET  60  24.627  -8.058  -6.810
  468   2HE   MET  60          HE2       MET  60  23.309  -8.364  -5.679
  469   3HE   MET  60          HE3       MET  60  24.627  -7.286  -5.224
  470    H    LYS  61           HN       LYS  61  18.787  -5.650 -10.067
  471    HA   LYS  61           HA       LYS  61  18.836  -3.033 -11.049
  472   1HB   LYS  61          HB2       LYS  61  16.478  -3.860 -12.008
  473   2HB   LYS  61          HB1       LYS  61  18.019  -4.302 -12.725
  474   1HG   LYS  61          HG2       LYS  61  17.953  -6.438 -11.633
  475   2HG   LYS  61          HG1       LYS  61  16.520  -5.969 -10.717
  476   1HD   LYS  61          HD2       LYS  61  15.903  -7.391 -12.592
  477   2HD   LYS  61          HD1       LYS  61  15.259  -5.762 -12.812
  478   1HE   LYS  61          HE2       LYS  61  17.135  -5.233 -14.302
  479   2HE   LYS  61          HE1       LYS  61  17.752  -6.872 -14.097
  480   1HZ   LYS  61          HZ1       LYS  61  15.705  -7.716 -15.082
  481   2HZ   LYS  61          HZ2       LYS  61  16.504  -6.670 -16.143
  482   3HZ   LYS  61          HZ3       LYS  61  15.138  -6.136 -15.301
  483    H    THR  62           HN       THR  62  16.202  -4.654  -9.360
  484    HA   THR  62           HA       THR  62  14.354  -2.746  -9.111
  485    HB   THR  62           HB       THR  62  15.230  -4.484  -6.800
  486    HG1  THR  62           HG1      THR  62  14.396  -5.288  -9.083
  487   1HG2  THR  62          HG21      THR  62  12.766  -4.262  -6.203
  488   2HG2  THR  62          HG22      THR  62  12.721  -2.913  -7.336
  489   3HG2  THR  62          HG23      THR  62  13.774  -2.842  -5.923
  490    H    LEU  63           HN       LEU  63  17.472  -2.656  -7.482
  491    HA   LEU  63           HA       LEU  63  17.019  -0.782  -5.515
  492   1HB   LEU  63          HB2       LEU  63  19.354  -1.266  -7.317
  493   2HB   LEU  63          HB1       LEU  63  19.369   0.136  -6.272
  494    HG   LEU  63           HG       LEU  63  18.750  -1.815  -4.486
  495   1HD1  LEU  63          HD11      LEU  63  19.041  -3.451  -6.383
  496   2HD1  LEU  63          HD12      LEU  63  19.958  -3.781  -4.915
  497   3HD1  LEU  63          HD13      LEU  63  20.761  -3.076  -6.320
  498   1HD2  LEU  63          HD21      LEU  63  20.689  -1.186  -3.542
  499   2HD2  LEU  63          HD22      LEU  63  20.775  -0.036  -4.876
  500   3HD2  LEU  63          HD23      LEU  63  21.629  -1.573  -4.982
  501    H    ASP  64           HN       ASP  64  18.137  -0.052  -8.803
  502    HA   ASP  64           HA       ASP  64  17.720   2.695  -8.746
  503   1HB   ASP  64          HB2       ASP  64  17.668   0.700 -11.003
  504   2HB   ASP  64          HB1       ASP  64  17.413   2.418 -11.290
  505    H    VAL  65           HN       VAL  65  15.508   0.084  -9.665
  506    HA   VAL  65           HA       VAL  65  13.343   1.622 -10.485
  507    HB   VAL  65           HB       VAL  65  13.256  -1.039  -9.033
  508   1HG1  VAL  65          HG11      VAL  65  11.060  -1.318  -9.930
  509   2HG1  VAL  65          HG12      VAL  65  11.193   0.167 -10.871
  510   3HG1  VAL  65          HG13      VAL  65  11.102   0.244  -9.113
  511   1HG2  VAL  65          HG21      VAL  65  13.341  -0.398 -11.979
  512   2HG2  VAL  65          HG22      VAL  65  13.114  -2.003 -11.286
  513   3HG2  VAL  65          HG23      VAL  65  14.631  -1.139 -11.033
  514    H    ASN  66           HN       ASN  66  13.268  -0.092  -7.357
  515    HA   ASN  66           HA       ASN  66  11.663   2.031  -6.221
  516   1HB   ASN  66          HB2       ASN  66  12.768  -0.202  -4.568
  517   2HB   ASN  66          HB1       ASN  66  11.213   0.612  -4.454
  518   1HD2  ASN  66          HD21      ASN  66  10.600   0.400  -7.254
  519   2HD2  ASN  66          HD22      ASN  66  10.209  -1.255  -7.559
  520    H    GLN  67           HN       GLN  67  13.999   3.209  -6.849
  521    HA   GLN  67           HA       GLN  67  16.052   3.006  -4.957
  522   1HB   GLN  67          HB2       GLN  67  17.040   4.356  -6.444
  523   2HB   GLN  67          HB1       GLN  67  15.549   4.428  -7.348
  524   1HG   GLN  67          HG2       GLN  67  15.798   6.287  -5.143
  525   2HG   GLN  67          HG1       GLN  67  16.963   6.527  -6.408
  526   1HE2  GLN  67          HE21      GLN  67  13.825   5.266  -7.110
  527   2HE2  GLN  67          HE22      GLN  67  13.163   6.714  -7.756
  528    H    ASP  68           HN       ASP  68  13.547   5.385  -5.365
  529    HA   ASP  68           HA       ASP  68  13.846   6.307  -2.653
  530   1HB   ASP  68          HB2       ASP  68  12.302   7.322  -5.023
  531   2HB   ASP  68          HB1       ASP  68  12.058   7.961  -3.398
  532    H    SER  69           HN       SER  69  12.958   3.662  -2.911
  533    HA   SER  69           HA       SER  69  10.302   3.077  -3.091
  534   1HB   SER  69          HB2       SER  69  11.850   1.290  -2.730
  535   2HB   SER  69          HB1       SER  69  12.407   1.994  -1.210
  536    HG   SER  69           HG       SER  69  10.997   0.399  -0.660
  537    H    GLU  70           HN       GLU  70  12.039   4.714  -0.644
  538    HA   GLU  70           HA       GLU  70   9.547   5.360   0.777
  539   1HB   GLU  70          HB2       GLU  70  10.674   4.469   2.538
  540   2HB   GLU  70          HB1       GLU  70  12.222   4.654   1.736
  541   1HG   GLU  70          HG2       GLU  70  12.235   6.028   3.706
  542   2HG   GLU  70          HG1       GLU  70  12.179   7.089   2.311
  543    H    LEU  71           HN       LEU  71   9.340   7.578   1.397
  544    HA   LEU  71           HA       LEU  71  11.346   9.326   0.265
  545   1HB   LEU  71          HB2       LEU  71   9.846   9.035  -1.435
  546   2HB   LEU  71          HB1       LEU  71   8.468   9.053  -0.373
  547    HG   LEU  71           HG       LEU  71   8.715  10.962  -1.777
  548   1HD1  LEU  71          HD11      LEU  71   8.881  12.460   0.564
  549   2HD1  LEU  71          HD12      LEU  71   8.008  10.972   0.886
  550   3HD1  LEU  71          HD13      LEU  71   7.467  12.058  -0.388
  551   1HD2  LEU  71          HD21      LEU  71  11.229  11.240  -0.349
  552   2HD2  LEU  71          HD22      LEU  71  10.459  12.609  -1.078
  553   3HD2  LEU  71          HD23      LEU  71  10.939  11.267  -2.053
  554    H    ARG  72           HN       ARG  72  11.649  11.264   1.270
  555    HA   ARG  72           HA       ARG  72   9.914  11.980   3.522
  556   1HB   ARG  72          HB2       ARG  72  12.556  13.292   3.138
  557   2HB   ARG  72          HB1       ARG  72  11.743  12.840   4.628
  558   1HG   ARG  72          HG2       ARG  72  13.285  11.068   2.761
  559   2HG   ARG  72          HG1       ARG  72  13.713  11.522   4.411
  560   1HD   ARG  72          HD2       ARG  72  11.729   9.553   3.421
  561   2HD   ARG  72          HD1       ARG  72  12.855   9.435   4.765
  562    HE   ARG  72           HE       ARG  72  10.176  10.526   4.825
  563   1HH1  ARG  72          HH11      ARG  72  13.256  10.294   6.443
  564   2HH1  ARG  72          HH12      ARG  72  12.605  10.667   8.003
  565   1HH2  ARG  72          HH21      ARG  72   9.316  11.019   6.872
  566   2HH2  ARG  72          HH22      ARG  72  10.367  11.080   8.247
  567    H    PHE  73           HN       PHE  73  11.355  13.018   0.514
  568    HA   PHE  73           HA       PHE  73  10.052  15.600   0.651
  569   1HB   PHE  73          HB2       PHE  73  11.441  16.367  -1.100
  570   2HB   PHE  73          HB1       PHE  73  12.462  15.482   0.005
  571    HD1  PHE  73           HD1      PHE  73  12.044  16.261  -3.256
  572    HD2  PHE  73           HD2      PHE  73  12.575  12.799  -0.860
  573    HE1  PHE  73           HE1      PHE  73  12.918  15.032  -5.194
  574    HE2  PHE  73           HE2      PHE  73  13.402  11.563  -2.758
  575    HZ   PHE  73           HZ       PHE  73  13.614  12.683  -4.957
  576    H    SER  74           HN       SER  74  10.296  13.994  -2.613
  577    HA   SER  74           HA       SER  74   7.363  14.097  -2.601
  578   1HB   SER  74          HB2       SER  74   7.603  14.478  -5.136
  579   2HB   SER  74          HB1       SER  74   7.937  15.843  -4.074
  580    HG   SER  74           HG       SER  74  10.000  15.760  -4.590
  581    H    GLU  75           HN       GLU  75  10.048  12.188  -3.305
  582    HA   GLU  75           HA       GLU  75   8.969  10.391  -5.146
  583   1HB   GLU  75          HB2       GLU  75  10.911   9.756  -2.944
  584   2HB   GLU  75          HB1       GLU  75  10.688   8.839  -4.426
  585   1HG   GLU  75          HG2       GLU  75  11.447  11.704  -4.556
  586   2HG   GLU  75          HG1       GLU  75  12.667  10.483  -4.189
  587    H    TYR  76           HN       TYR  76   7.032  10.825  -2.770
  588    HA   TYR  76           HA       TYR  76   6.983   8.370  -1.401
  589   1HB   TYR  76          HB2       TYR  76   5.398  10.819  -1.359
  590   2HB   TYR  76          HB1       TYR  76   4.422   9.371  -1.123
  591    HD1  TYR  76           HD1      TYR  76   4.912  11.637   0.843
  592    HD2  TYR  76           HD2      TYR  76   6.817   7.884   0.297
  593    HE1  TYR  76           HE1      TYR  76   5.657  11.658   3.182
  594    HE2  TYR  76           HE2      TYR  76   7.571   7.894   2.573
  595    HH   TYR  76           HH       TYR  76   6.338  10.078   4.916
  596    H    TRP  77           HN       TRP  77   5.792   9.506  -4.371
  597    HA   TRP  77           HA       TRP  77   3.756   7.656  -4.886
  598   1HB   TRP  77          HB2       TRP  77   4.351   7.914  -7.273
  599   2HB   TRP  77          HB1       TRP  77   4.305   9.475  -6.456
  600    HD1  TRP  77           HD1      TRP  77   6.987   6.799  -7.258
  601    HE1  TRP  77           HE1      TRP  77   9.153   8.013  -7.855
  602    HE3  TRP  77           HE3      TRP  77   5.424  11.601  -6.598
  603    HZ2  TRP  77           HZ2      TRP  77  10.101  10.680  -8.032
  604    HZ3  TRP  77           HZ3      TRP  77   7.010  13.431  -6.984
  605    HH2  TRP  77           HH2      TRP  77   9.306  12.982  -7.693
  606    H    ARG  78           HN       ARG  78   7.086   7.154  -4.254
  607    HA   ARG  78           HA       ARG  78   7.481   4.800  -5.779
  608   1HB   ARG  78          HB2       ARG  78   8.873   5.934  -3.345
  609   2HB   ARG  78          HB1       ARG  78   9.425   4.488  -4.187
  610   1HG   ARG  78          HG2       ARG  78   9.093   7.139  -5.550
  611   2HG   ARG  78          HG1       ARG  78  10.581   6.648  -4.748
  612   1HD   ARG  78          HD2       ARG  78  10.814   4.759  -6.204
  613   2HD   ARG  78          HD1       ARG  78   9.233   5.066  -6.924
  614    HE   ARG  78           HE       ARG  78  11.035   7.273  -7.211
  615   1HH1  ARG  78          HH11      ARG  78  10.096   4.190  -8.528
  616   2HH1  ARG  78          HH12      ARG  78  10.682   4.543 -10.119
  617   1HH2  ARG  78          HH21      ARG  78  11.811   7.751  -9.304
  618   2HH2  ARG  78          HH22      ARG  78  11.658   6.569 -10.560
  619    H    LEU  79           HN       LEU  79   6.406   5.596  -2.504
  620    HA   LEU  79           HA       LEU  79   6.220   3.030  -1.448
  621   1HB   LEU  79          HB2       LEU  79   4.075   5.037  -0.912
  622   2HB   LEU  79          HB1       LEU  79   4.767   3.855   0.171
  623    HG   LEU  79           HG       LEU  79   6.022   6.440  -0.727
  624   1HD1  LEU  79          HD11      LEU  79   4.633   5.425   1.702
  625   2HD1  LEU  79          HD12      LEU  79   4.592   7.029   0.968
  626   3HD1  LEU  79          HD13      LEU  79   5.986   6.530   1.927
  627   1HD2  LEU  79          HD21      LEU  79   7.224   3.997   0.197
  628   2HD2  LEU  79          HD22      LEU  79   7.493   5.307   1.347
  629   3HD2  LEU  79          HD23      LEU  79   7.981   5.495  -0.339
  630    H    ILE  80           HN       ILE  80   4.404   4.616  -3.892
  631    HA   ILE  80           HA       ILE  80   1.975   3.482  -3.675
  632    HB   ILE  80           HB       ILE  80   2.987   5.191  -5.394
  633   1HG1  ILE  80          HG12      ILE  80   0.638   3.373  -5.985
  634   2HG1  ILE  80          HG11      ILE  80   0.607   4.861  -5.044
  635   1HG2  ILE  80          HG21      ILE  80   2.933   2.654  -7.008
  636   2HG2  ILE  80          HG22      ILE  80   4.346   3.636  -6.631
  637   3HG2  ILE  80          HG23      ILE  80   3.074   4.284  -7.661
  638   1HD1  ILE  80          HD11      ILE  80  -0.297   5.223  -7.257
  639   2HD1  ILE  80          HD12      ILE  80   1.197   4.633  -7.985
  640   3HD1  ILE  80          HD13      ILE  80   1.202   6.129  -7.052
  641    H    GLY  81           HN       GLY  81   4.661   2.099  -5.558
  642   1HA   GLY  81          HA2       GLY  81   3.253  -0.420  -5.810
  643   2HA   GLY  81          HA1       GLY  81   4.856  -0.055  -6.426
  644    H    GLU  82           HN       GLU  82   4.718   0.952  -3.262
  645    HA   GLU  82           HA       GLU  82   6.378  -1.254  -2.450
  646   1HB   GLU  82          HB2       GLU  82   5.571   1.281  -1.100
  647   2HB   GLU  82          HB1       GLU  82   6.540   0.059  -0.302
  648   1HG   GLU  82          HG2       GLU  82   7.278   1.700  -2.690
  649   2HG   GLU  82          HG1       GLU  82   8.074   1.650  -1.122
  650    H    LEU  83           HN       LEU  83   3.715   0.379  -0.774
  651    HA   LEU  83           HA       LEU  83   3.155  -1.533   1.096
  652   1HB   LEU  83          HB2       LEU  83   1.449   0.464  -0.326
  653   2HB   LEU  83          HB1       LEU  83   0.703  -0.672   0.783
  654    HG   LEU  83           HG       LEU  83   3.031   1.012   1.642
  655   1HD1  LEU  83          HD11      LEU  83   1.623   2.755   2.360
  656   2HD1  LEU  83          HD12      LEU  83   0.165   1.826   2.023
  657   3HD1  LEU  83          HD13      LEU  83   1.151   2.429   0.692
  658   1HD2  LEU  83          HD21      LEU  83   1.814   0.713   3.851
  659   2HD2  LEU  83          HD22      LEU  83   2.576  -0.719   3.161
  660   3HD2  LEU  83          HD23      LEU  83   0.833  -0.495   3.025
  661    H    ALA  84           HN       ALA  84   2.470  -1.582  -2.289
  662    HA   ALA  84           HA       ALA  84   0.627  -3.735  -2.194
  663   1HB   ALA  84          HB1       ALA  84   0.987  -3.879  -4.612
  664   2HB   ALA  84          HB2       ALA  84   2.343  -2.762  -4.466
  665   3HB   ALA  84          HB3       ALA  84   0.708  -2.219  -4.086
  666    H    LYS  85           HN       LYS  85   4.135  -3.551  -2.446
  667    HA   LYS  85           HA       LYS  85   4.919  -6.021  -3.312
  668   1HB   LYS  85          HB2       LYS  85   6.006  -4.639  -0.854
  669   2HB   LYS  85          HB1       LYS  85   6.837  -5.865  -1.800
  670   1HG   LYS  85          HG2       LYS  85   7.230  -4.424  -3.566
  671   2HG   LYS  85          HG1       LYS  85   5.933  -3.335  -3.094
  672   1HD   LYS  85          HD2       LYS  85   8.174  -2.407  -2.667
  673   2HD   LYS  85          HD1       LYS  85   7.191  -2.545  -1.212
  674   1HE   LYS  85          HE2       LYS  85   8.491  -4.943  -1.235
  675   2HE   LYS  85          HE1       LYS  85   9.708  -3.865  -1.916
  676   1HZ   LYS  85          HZ1       LYS  85   8.294  -3.452   0.663
  677   2HZ   LYS  85          HZ2       LYS  85   9.463  -2.422   0.004
  678   3HZ   LYS  85          HZ3       LYS  85   9.890  -3.985   0.487
  679    H    GLU  86           HN       GLU  86   3.328  -5.236  -0.361
  680    HA   GLU  86           HA       GLU  86   3.610  -7.867   0.754
  681   1HB   GLU  86          HB2       GLU  86   1.727  -5.755   1.763
  682   2HB   GLU  86          HB1       GLU  86   2.584  -6.996   2.668
  683   1HG   GLU  86          HG2       GLU  86   3.784  -4.587   1.349
  684   2HG   GLU  86          HG1       GLU  86   3.491  -4.805   3.059
  685    H    VAL  87           HN       VAL  87   1.039  -5.901  -0.655
  686    HA   VAL  87           HA       VAL  87  -1.010  -7.812  -0.317
  687    HB   VAL  87           HB       VAL  87  -0.828  -5.396  -2.124
  688   1HG1  VAL  87          HG11      VAL  87  -2.387  -7.060  -3.065
  689   2HG1  VAL  87          HG12      VAL  87  -3.215  -5.623  -2.486
  690   3HG1  VAL  87          HG13      VAL  87  -3.253  -7.097  -1.530
  691   1HG2  VAL  87          HG21      VAL  87  -2.274  -4.360  -0.491
  692   2HG2  VAL  87          HG22      VAL  87  -0.829  -4.982   0.305
  693   3HG2  VAL  87          HG23      VAL  87  -2.354  -5.858   0.436
  694    H    ARG  88           HN       ARG  88   1.211  -7.181  -2.966
  695    HA   ARG  88           HA       ARG  88   0.029  -8.406  -5.074
  696   1HB   ARG  88          HB2       ARG  88   2.299  -7.310  -4.973
  697   2HB   ARG  88          HB1       ARG  88   2.926  -8.843  -4.377
  698   1HG   ARG  88          HG2       ARG  88   2.409  -9.951  -6.407
  699   2HG   ARG  88          HG1       ARG  88   1.460  -8.582  -6.987
  700   1HD   ARG  88          HD2       ARG  88   4.429  -8.545  -6.459
  701   2HD   ARG  88          HD1       ARG  88   3.683  -8.715  -8.047
  702    HE   ARG  88           HE       ARG  88   2.829  -6.369  -6.626
  703   1HH1  ARG  88          HH11      ARG  88   5.273  -7.712  -8.712
  704   2HH1  ARG  88          HH12      ARG  88   5.751  -6.177  -9.355
  705   1HH2  ARG  88          HH21      ARG  88   3.452  -4.343  -7.465
  706   2HH2  ARG  88          HH22      ARG  88   4.719  -4.261  -8.645
  707    H    LYS  89           HN       LYS  89   2.377 -10.303  -3.175
  708    HA   LYS  89           HA       LYS  89   1.403 -12.771  -4.162
  709   1HB   LYS  89          HB2       LYS  89   2.755 -13.808  -2.359
  710   2HB   LYS  89          HB1       LYS  89   3.668 -12.652  -3.309
  711   1HG   LYS  89          HG2       LYS  89   2.551 -11.237  -1.134
  712   2HG   LYS  89          HG1       LYS  89   3.252 -12.734  -0.493
  713   1HD   LYS  89          HD2       LYS  89   4.934 -11.059  -0.459
  714   2HD   LYS  89          HD1       LYS  89   5.328 -12.222  -1.718
  715   1HE   LYS  89          HE2       LYS  89   3.879  -9.672  -2.322
  716   2HE   LYS  89          HE1       LYS  89   5.631  -9.725  -2.215
  717   1HZ   LYS  89          HZ1       LYS  89   3.863 -10.952  -4.212
  718   2HZ   LYS  89          HZ2       LYS  89   5.353 -11.678  -3.877
  719   3HZ   LYS  89          HZ3       LYS  89   5.297 -10.082  -4.433
  720    H    GLU  90           HN       GLU  90   0.647 -10.767  -1.446
  721    HA   GLU  90           HA       GLU  90  -0.819 -12.640   0.045
  722   1HB   GLU  90          HB2       GLU  90  -0.663  -9.646  -0.016
  723   2HB   GLU  90          HB1       GLU  90  -1.870 -10.454   0.987
  724   1HG   GLU  90          HG2       GLU  90   1.114 -10.821   1.115
  725   2HG   GLU  90          HG1       GLU  90   0.119  -9.926   2.262
  726    H    LYS  91           HN       LYS  91  -1.509 -11.244  -2.958
  727    HA   LYS  91           HA       LYS  91  -4.281 -10.913  -2.813
  728   1HB   LYS  91          HB2       LYS  91  -4.301 -10.859  -5.162
  729   2HB   LYS  91          HB1       LYS  91  -2.742 -10.197  -4.698
  730   1HG   LYS  91          HG2       LYS  91  -1.716 -12.400  -5.151
  731   2HG   LYS  91          HG1       LYS  91  -3.285 -12.979  -5.712
  732   1HD   LYS  91          HD2       LYS  91  -3.294 -11.194  -7.422
  733   2HD   LYS  91          HD1       LYS  91  -1.683 -10.710  -6.891
  734   1HE   LYS  91          HE2       LYS  91  -0.845 -12.952  -7.457
  735   2HE   LYS  91          HE1       LYS  91  -2.453 -13.394  -8.031
  736   1HZ   LYS  91          HZ1       LYS  91  -2.288 -11.623  -9.689
  737   2HZ   LYS  91          HZ2       LYS  91  -1.046 -12.758  -9.867
  738   3HZ   LYS  91          HZ3       LYS  91  -0.723 -11.257  -9.157
  739    H    ALA  92           HN       ALA  92  -2.368 -13.697  -3.809
  740    HA   ALA  92           HA       ALA  92  -4.700 -15.401  -3.960
  741   1HB   ALA  92          HB1       ALA  92  -3.072 -17.177  -4.511
  742   2HB   ALA  92          HB2       ALA  92  -1.761 -16.030  -4.232
  743   3HB   ALA  92          HB3       ALA  92  -2.905 -15.759  -5.547
  744    H    LEU  93           HN       LEU  93  -1.780 -15.286  -1.928
  745    HA   LEU  93           HA       LEU  93  -2.470 -17.395  -0.245
  746   1HB   LEU  93          HB2       LEU  93  -0.267 -16.307  -0.218
  747   2HB   LEU  93          HB1       LEU  93  -0.981 -14.880   0.515
  748    HG   LEU  93           HG       LEU  93  -1.407 -17.459   1.915
  749   1HD1  LEU  93          HD11      LEU  93   0.934 -17.653   1.296
  750   2HD1  LEU  93          HD12      LEU  93   0.791 -17.298   3.017
  751   3HD1  LEU  93          HD13      LEU  93   1.251 -16.023   1.889
  752   1HD2  LEU  93          HD21      LEU  93  -1.130 -16.030   3.878
  753   2HD2  LEU  93          HD22      LEU  93  -2.330 -15.363   2.771
  754   3HD2  LEU  93          HD23      LEU  93  -0.710 -14.670   2.839
  755    H    GLY  94           HN       GLY  94  -3.753 -14.197  -0.428
  756   1HA   GLY  94          HA2       GLY  94  -4.866 -13.823   2.080
  757   2HA   GLY  94          HA1       GLY  94  -5.608 -13.295   0.578
  758    H    ILE  95           HN       ILE  95  -5.694 -16.105  -0.361
  759    HA   ILE  95           HA       ILE  95  -8.341 -16.590   0.435
  760    HB   ILE  95           HB       ILE  95  -8.250 -18.579  -0.897
  761   1HG1  ILE  95          HG12      ILE  95  -5.273 -18.233  -0.627
  762   2HG1  ILE  95          HG11      ILE  95  -6.234 -19.681  -0.393
  763   1HG2  ILE  95          HG21      ILE  95  -8.524 -16.591  -2.104
  764   2HG2  ILE  95          HG22      ILE  95  -7.353 -17.545  -3.008
  765   3HG2  ILE  95          HG23      ILE  95  -6.810 -16.198  -2.005
  766   1HD1  ILE  95          HD11      ILE  95  -6.579 -19.861  -2.793
  767   2HD1  ILE  95          HD12      ILE  95  -4.864 -19.850  -2.381
  768   3HD1  ILE  95          HD13      ILE  95  -5.622 -18.401  -3.041
  769    H    ARG  96           HN       ARG  96  -7.535 -16.468   2.842
  770    HA   ARG  96           HA       ARG  96  -6.450 -18.730   4.068
  771   1HB   ARG  96          HB2       ARG  96  -8.439 -16.697   5.078
  772   2HB   ARG  96          HB1       ARG  96  -7.705 -17.919   6.106
  773   1HG   ARG  96          HG2       ARG  96  -6.268 -15.732   4.614
  774   2HG   ARG  96          HG1       ARG  96  -6.567 -15.799   6.352
  775   1HD   ARG  96          HD2       ARG  96  -5.225 -17.868   6.469
  776   2HD   ARG  96          HD1       ARG  96  -4.878 -17.712   4.747
  777    HE   ARG  96           HE       ARG  96  -4.065 -15.339   5.778
  778   1HH1  ARG  96          HH11      ARG  96  -3.381 -18.665   6.545
  779   2HH1  ARG  96          HH12      ARG  96  -1.779 -18.339   7.116
  780   1HH2  ARG  96          HH21      ARG  96  -1.958 -14.896   6.527
  781   2HH2  ARG  96          HH22      ARG  96  -0.968 -16.196   7.105
  782    H    LYS  97           HN       LYS  97  -9.514 -18.134   2.609
  783    HA   LYS  97           HA       LYS  97 -10.797 -20.421   3.845
  784   1HB   LYS  97          HB2       LYS  97 -12.127 -19.236   1.513
  785   2HB   LYS  97          HB1       LYS  97 -12.753 -19.536   3.125
  786   1HG   LYS  97          HG2       LYS  97 -11.130 -17.138   2.247
  787   2HG   LYS  97          HG1       LYS  97 -12.855 -17.184   2.615
  788   1HD   LYS  97          HD2       LYS  97 -12.510 -17.390   4.887
  789   2HD   LYS  97          HD1       LYS  97 -10.891 -18.062   4.687
  790   1HE   LYS  97          HE2       LYS  97 -10.005 -15.935   4.080
  791   2HE   LYS  97          HE1       LYS  97 -11.617 -15.217   3.989
  792   1HZ   LYS  97          HZ1       LYS  97 -11.841 -15.598   6.385
  793   2HZ   LYS  97          HZ2       LYS  97 -10.521 -14.599   6.036
  794   3HZ   LYS  97          HZ3       LYS  97 -10.268 -16.221   6.444
  795    H    LYS  98           HN       LYS  98  -9.304 -22.019   3.083
  796    HA   LYS  98           HA       LYS  98  -9.489 -22.583   0.200
  797   1HB   LYS  98          HB2       LYS  98  -7.376 -23.223   2.245
  798   2HB   LYS  98          HB1       LYS  98  -7.469 -24.099   0.722
  799   1HG   LYS  98          HG2       LYS  98  -7.480 -21.150   0.567
  800   2HG   LYS  98          HG1       LYS  98  -5.964 -21.915   1.053
  801   1HD   LYS  98          HD2       LYS  98  -6.016 -21.608  -1.353
  802   2HD   LYS  98          HD1       LYS  98  -6.075 -23.328  -0.967
  803   1HE   LYS  98          HE2       LYS  98  -8.488 -23.334  -1.309
  804   2HE   LYS  98          HE1       LYS  98  -8.453 -21.605  -1.654
  805   1HZ   LYS  98          HZ1       LYS  98  -7.090 -23.708  -3.252
  806   2HZ   LYS  98          HZ2       LYS  98  -7.081 -22.050  -3.588
  807   3HZ   LYS  98          HZ3       LYS  98  -8.526 -22.924  -3.681
  808   1H    MET   1          HT1       MET   1  18.342  -3.670  -3.752
  809   2H    MET   1          HT2       MET   1  19.025  -4.279  -2.333
  810   3H    MET   1          HT3       MET   1  17.519  -3.517  -2.283
  811    HA   MET   1           HA       MET   1  18.110  -6.049  -3.697
  812   1HB   MET   1          HB2       MET   1  17.106  -5.411  -0.992
  813   2HB   MET   1          HB1       MET   1  16.289  -6.715  -1.823
  814   1HG   MET   1          HG2       MET   1  18.331  -7.172  -0.251
  815   2HG   MET   1          HG1       MET   1  18.131  -8.084  -1.722
  816   1HE   MET   1          HE1       MET   1  20.789  -8.743  -1.125
  817   2HE   MET   1          HE2       MET   1  20.807  -7.544   0.168
  818   3HE   MET   1          HE3       MET   1  22.054  -7.514  -1.079
  819    H    ALA   2           HN       ALA   2  15.786  -7.199  -3.819
  820    HA   ALA   2           HA       ALA   2  14.075  -5.227  -5.153
  821   1HB   ALA   2          HB1       ALA   2  14.465  -8.146  -5.746
  822   2HB   ALA   2          HB2       ALA   2  14.902  -6.770  -6.755
  823   3HB   ALA   2          HB3       ALA   2  13.207  -7.156  -6.483
  824    H    ALA   3           HN       ALA   3  11.779  -5.647  -5.204
  825    HA   ALA   3           HA       ALA   3  10.847  -6.456  -2.577
  826   1HB   ALA   3          HB1       ALA   3  10.056  -4.366  -3.728
  827   2HB   ALA   3          HB2       ALA   3   8.777  -5.446  -3.172
  828   3HB   ALA   3          HB3       ALA   3   9.211  -5.401  -4.879
  829    H    GLU   4           HN       GLU   4  11.427  -8.699  -2.975
  830    HA   GLU   4           HA       GLU   4  10.001 -10.207  -4.938
  831   1HB   GLU   4          HB2       GLU   4  10.789 -12.153  -3.300
  832   2HB   GLU   4          HB1       GLU   4  11.878 -11.374  -4.434
  833   1HG   GLU   4          HG2       GLU   4  13.046 -10.316  -2.815
  834   2HG   GLU   4          HG1       GLU   4  11.658 -10.196  -1.735
  835    H    THR   5           HN       THR   5   9.919 -11.236  -1.549
  836    HA   THR   5           HA       THR   5   7.063 -11.584  -1.827
  837    HB   THR   5           HB       THR   5   8.338 -12.279   0.748
  838    HG1  THR   5           HG1      THR   5   9.935 -13.264  -0.261
  839   1HG2  THR   5          HG21      THR   5   5.968 -12.793   0.023
  840   2HG2  THR   5          HG22      THR   5   6.902 -14.170   0.590
  841   3HG2  THR   5          HG23      THR   5   6.654 -13.920  -1.137
  842    H    LEU   6           HN       LEU   6   6.513 -11.401   1.072
  843    HA   LEU   6           HA       LEU   6   5.653  -8.702   1.134
  844   1HB   LEU   6          HB2       LEU   6   5.556 -10.971   3.096
  845   2HB   LEU   6          HB1       LEU   6   4.983  -9.379   3.513
  846    HG   LEU   6           HG       LEU   6   3.603  -9.824   1.219
  847   1HD1  LEU   6          HD11      LEU   6   2.745 -12.080   1.261
  848   2HD1  LEU   6          HD12      LEU   6   3.763 -12.477   2.644
  849   3HD1  LEU   6          HD13      LEU   6   4.497 -12.127   1.082
  850   1HD2  LEU   6          HD21      LEU   6   3.108  -9.904   4.087
  851   2HD2  LEU   6          HD22      LEU   6   1.957 -10.861   3.163
  852   3HD2  LEU   6          HD23      LEU   6   2.170  -9.148   2.797
  853    H    THR   7           HN       THR   7   7.090  -7.110   1.486
  854    HA   THR   7           HA       THR   7   9.397  -7.511   3.160
  855    HB   THR   7           HB       THR   7   8.752  -4.735   2.498
  856    HG1  THR   7           HG1      THR   7   7.840  -5.447   0.639
  857   1HG2  THR   7          HG21      THR   7  11.046  -5.437   1.163
  858   2HG2  THR   7          HG22      THR   7  11.041  -6.550   2.534
  859   3HG2  THR   7          HG23      THR   7  10.961  -4.811   2.810
  860    H    GLU   8           HN       GLU   8   9.818  -5.566   4.791
  861    HA   GLU   8           HA       GLU   8   8.373  -5.985   7.048
  862   1HB   GLU   8          HB2       GLU   8   9.282  -3.190   6.469
  863   2HB   GLU   8          HB1       GLU   8   9.328  -4.067   7.990
  864   1HG   GLU   8          HG2       GLU   8  11.132  -4.393   5.614
  865   2HG   GLU   8          HG1       GLU   8  11.555  -3.868   7.242
  866    H    LEU   9           HN       LEU   9   7.485  -3.973   4.384
  867    HA   LEU   9           HA       LEU   9   5.503  -2.381   5.470
  868   1HB   LEU   9          HB2       LEU   9   5.336  -3.588   2.746
  869   2HB   LEU   9          HB1       LEU   9   4.789  -2.014   3.265
  870    HG   LEU   9           HG       LEU   9   7.578  -2.939   2.680
  871   1HD1  LEU   9          HD11      LEU   9   6.150  -0.427   1.872
  872   2HD1  LEU   9          HD12      LEU   9   6.098  -1.922   0.940
  873   3HD1  LEU   9          HD13      LEU   9   7.636  -1.100   1.200
  874   1HD2  LEU   9          HD21      LEU   9   6.778  -0.610   4.407
  875   2HD2  LEU   9          HD22      LEU   9   8.329  -0.705   3.580
  876   3HD2  LEU   9          HD23      LEU   9   7.900  -1.915   4.783
  877    H    GLU  10           HN       GLU  10   5.359  -5.804   4.762
  878    HA   GLU  10           HA       GLU  10   2.595  -6.078   4.468
  879   1HB   GLU  10          HB2       GLU  10   3.025  -8.364   5.670
  880   2HB   GLU  10          HB1       GLU  10   3.695  -8.067   4.069
  881   1HG   GLU  10          HG2       GLU  10   5.772  -8.285   4.815
  882   2HG   GLU  10          HG1       GLU  10   5.483  -7.178   6.150
  883    H    ALA  11           HN       ALA  11   4.593  -5.701   7.341
  884    HA   ALA  11           HA       ALA  11   2.699  -6.219   9.319
  885   1HB   ALA  11          HB1       ALA  11   4.145  -5.203  10.801
  886   2HB   ALA  11          HB2       ALA  11   4.588  -3.933   9.662
  887   3HB   ALA  11          HB3       ALA  11   5.244  -5.557   9.468
  888    H    ALA  12           HN       ALA  12   3.224  -3.477   7.245
  889    HA   ALA  12           HA       ALA  12   1.403  -1.714   8.536
  890   1HB   ALA  12          HB1       ALA  12   3.238  -0.989   7.003
  891   2HB   ALA  12          HB2       ALA  12   1.662  -0.303   6.610
  892   3HB   ALA  12          HB3       ALA  12   2.304  -1.642   5.658
  893    H    ILE  13           HN       ILE  13   1.153  -4.236   6.152
  894    HA   ILE  13           HA       ILE  13  -1.302  -3.635   5.012
  895    HB   ILE  13           HB       ILE  13   0.422  -5.626   4.607
  896   1HG1  ILE  13          HG12      ILE  13  -1.339  -4.904   3.073
  897   2HG1  ILE  13          HG11      ILE  13  -1.236  -6.661   3.137
  898   1HG2  ILE  13          HG21      ILE  13  -0.524  -6.688   6.823
  899   2HG2  ILE  13          HG22      ILE  13  -0.088  -7.694   5.443
  900   3HG2  ILE  13          HG23      ILE  13  -1.777  -7.281   5.733
  901   1HD1  ILE  13          HD11      ILE  13  -3.135  -6.602   4.775
  902   2HD1  ILE  13          HD12      ILE  13  -3.526  -6.095   3.133
  903   3HD1  ILE  13          HD13      ILE  13  -3.304  -4.888   4.399
  904    H    GLU  14           HN       GLU  14  -0.482  -4.813   8.154
  905    HA   GLU  14           HA       GLU  14  -2.947  -5.892   8.948
  906   1HB   GLU  14          HB2       GLU  14  -0.701  -4.660  10.543
  907   2HB   GLU  14          HB1       GLU  14  -2.087  -5.456  11.275
  908   1HG   GLU  14          HG2       GLU  14  -0.113  -6.744   9.401
  909   2HG   GLU  14          HG1       GLU  14  -0.140  -6.922  11.155
  910    H    THR  15           HN       THR  15  -1.706  -2.556   9.052
  911    HA   THR  15           HA       THR  15  -3.825  -1.568  10.609
  912    HB   THR  15           HB       THR  15  -2.009  -0.103   8.707
  913    HG1  THR  15           HG1      THR  15  -0.970   0.468  10.764
  914   1HG2  THR  15          HG21      THR  15  -2.621   1.899  10.038
  915   2HG2  THR  15          HG22      THR  15  -3.818   0.929  10.891
  916   3HG2  THR  15          HG23      THR  15  -3.989   1.216   9.160
  917    H    VAL  16           HN       VAL  16  -3.054  -1.187   7.199
  918    HA   VAL  16           HA       VAL  16  -5.391   0.015   6.306
  919    HB   VAL  16           HB       VAL  16  -3.381  -0.184   4.937
  920   1HG1  VAL  16          HG11      VAL  16  -4.023  -3.134   4.909
  921   2HG1  VAL  16          HG12      VAL  16  -2.617  -2.357   5.638
  922   3HG1  VAL  16          HG13      VAL  16  -2.814  -2.359   3.885
  923   1HG2  VAL  16          HG21      VAL  16  -4.528  -1.283   2.845
  924   2HG2  VAL  16          HG22      VAL  16  -5.147   0.218   3.516
  925   3HG2  VAL  16          HG23      VAL  16  -5.947  -1.300   3.888
  926    H    VAL  17           HN       VAL  17  -4.705  -3.414   6.810
  927    HA   VAL  17           HA       VAL  17  -7.194  -4.220   5.641
  928    HB   VAL  17           HB       VAL  17  -5.166  -5.667   5.640
  929   1HG1  VAL  17          HG11      VAL  17  -4.471  -6.851   7.562
  930   2HG1  VAL  17          HG12      VAL  17  -5.872  -6.314   8.490
  931   3HG1  VAL  17          HG13      VAL  17  -4.608  -5.165   8.061
  932   1HG2  VAL  17          HG21      VAL  17  -6.403  -7.755   6.081
  933   2HG2  VAL  17          HG22      VAL  17  -7.338  -6.595   5.137
  934   3HG2  VAL  17          HG23      VAL  17  -7.675  -6.810   6.855
  935    H    SER  18           HN       SER  18  -5.935  -3.758   8.892
  936    HA   SER  18           HA       SER  18  -8.347  -4.701  10.144
  937   1HB   SER  18          HB2       SER  18  -5.919  -3.310  11.292
  938   2HB   SER  18          HB1       SER  18  -7.244  -3.968  12.252
  939    HG   SER  18           HG       SER  18  -5.521  -5.419  10.524
  940    H    THR  19           HN       THR  19  -7.378  -1.740   8.779
  941    HA   THR  19           HA       THR  19  -9.051  -0.157  10.527
  942    HB   THR  19           HB       THR  19  -8.468   1.767   9.079
  943    HG1  THR  19           HG1      THR  19  -7.281  -0.272   7.561
  944   1HG2  THR  19          HG21      THR  19  -5.884   1.493   9.540
  945   2HG2  THR  19          HG22      THR  19  -6.435   0.083  10.447
  946   3HG2  THR  19          HG23      THR  19  -7.038   1.686  10.858
  947    H    PHE  20           HN       PHE  20  -9.059   0.318   7.052
  948    HA   PHE  20           HA       PHE  20 -11.912   0.667   7.085
  949   1HB   PHE  20          HB2       PHE  20 -10.723   2.214   5.777
  950   2HB   PHE  20          HB1       PHE  20  -9.736   0.957   5.044
  951    HD1  PHE  20           HD1      PHE  20 -13.422   1.556   5.326
  952    HD2  PHE  20           HD2      PHE  20 -10.074   0.831   2.802
  953    HE1  PHE  20           HE1      PHE  20 -14.902   1.549   3.362
  954    HE2  PHE  20           HE2      PHE  20 -11.546   0.821   0.838
  955    HZ   PHE  20           HZ       PHE  20 -13.960   1.181   1.115
  956    H    PHE  21           HN       PHE  21  -9.682  -1.682   5.770
  957    HA   PHE  21           HA       PHE  21 -11.516  -3.016   4.198
  958   1HB   PHE  21          HB2       PHE  21  -9.041  -4.078   5.558
  959   2HB   PHE  21          HB1       PHE  21  -9.885  -4.880   4.258
  960    HD1  PHE  21           HD1      PHE  21 -10.129  -1.563   3.430
  961    HD2  PHE  21           HD2      PHE  21  -7.233  -4.663   3.726
  962    HE1  PHE  21           HE1      PHE  21  -8.695  -0.381   1.832
  963    HE2  PHE  21           HE2      PHE  21  -5.799  -3.483   2.133
  964    HZ   PHE  21           HZ       PHE  21  -6.526  -1.337   1.167
  965    H    THR  22           HN       THR  22 -11.361  -2.893   7.575
  966    HA   THR  22           HA       THR  22 -12.332  -5.459   8.199
  967    HB   THR  22           HB       THR  22 -13.097  -4.495  10.310
  968    HG1  THR  22           HG1      THR  22 -13.618  -2.393   9.082
  969   1HG2  THR  22          HG21      THR  22 -10.446  -3.409   9.417
  970   2HG2  THR  22          HG22      THR  22 -10.733  -5.052   9.987
  971   3HG2  THR  22          HG23      THR  22 -10.948  -3.689  11.085
  972    H    PHE  23           HN       PHE  23 -13.786  -2.864   6.568
  973    HA   PHE  23           HA       PHE  23 -16.452  -3.241   7.357
  974   1HB   PHE  23          HB2       PHE  23 -16.780  -1.429   6.108
  975   2HB   PHE  23          HB1       PHE  23 -15.046  -1.431   5.856
  976    HD1  PHE  23           HD1      PHE  23 -17.927  -3.235   4.175
  977    HD2  PHE  23           HD2      PHE  23 -14.483  -0.782   3.860
  978    HE1  PHE  23           HE1      PHE  23 -18.233  -3.118   1.748
  979    HE2  PHE  23           HE2      PHE  23 -14.779  -0.657   1.436
  980    HZ   PHE  23           HZ       PHE  23 -16.665  -1.810   0.382
  981    H    ALA  24           HN       ALA  24 -14.398  -5.227   5.577
  982    HA   ALA  24           HA       ALA  24 -15.825  -6.467   3.651
  983   1HB   ALA  24          HB1       ALA  24 -13.540  -7.094   4.628
  984   2HB   ALA  24          HB2       ALA  24 -14.545  -8.399   4.000
  985   3HB   ALA  24          HB3       ALA  24 -14.447  -8.119   5.739
  986    H    GLY  25           HN       GLY  25 -16.120  -7.101   7.101
  987   1HA   GLY  25          HA2       GLY  25 -17.878  -9.089   7.330
  988   2HA   GLY  25          HA1       GLY  25 -18.007  -7.649   8.333
  989    H    ARG  26           HN       ARG  26 -18.712  -5.953   5.947
  990    HA   ARG  26           HA       ARG  26 -21.444  -5.900   6.084
  991   1HB   ARG  26          HB2       ARG  26 -19.665  -5.287   3.723
  992   2HB   ARG  26          HB1       ARG  26 -21.388  -4.950   3.728
  993   1HG   ARG  26          HG2       ARG  26 -19.501  -3.837   5.779
  994   2HG   ARG  26          HG1       ARG  26 -19.880  -3.026   4.257
  995   1HD   ARG  26          HD2       ARG  26 -21.347  -2.093   5.838
  996   2HD   ARG  26          HD1       ARG  26 -22.308  -3.238   4.906
  997    HE   ARG  26           HE       ARG  26 -21.216  -4.394   7.282
  998   1HH1  ARG  26          HH11      ARG  26 -23.798  -2.421   6.035
  999   2HH1  ARG  26          HH12      ARG  26 -24.900  -2.828   7.309
 1000   1HH2  ARG  26          HH21      ARG  26 -22.658  -4.942   8.962
 1001   2HH2  ARG  26          HH22      ARG  26 -24.252  -4.262   8.973
 1002    H    GLU  27           HN       GLU  27 -19.463  -7.697   3.813
 1003    HA   GLU  27           HA       GLU  27 -21.743  -9.144   2.755
 1004   1HB   GLU  27          HB2       GLU  27 -18.785  -9.596   2.296
 1005   2HB   GLU  27          HB1       GLU  27 -20.096 -10.310   1.366
 1006   1HG   GLU  27          HG2       GLU  27 -19.452  -7.375   1.533
 1007   2HG   GLU  27          HG1       GLU  27 -19.058  -8.448   0.190
 1008    H    GLY  28           HN       GLY  28 -22.555 -10.948   3.576
 1009   1HA   GLY  28          HA2       GLY  28 -22.019 -12.090   5.960
 1010   2HA   GLY  28          HA1       GLY  28 -22.688 -13.001   4.620
 1011    H    ARG  29           HN       ARG  29 -21.194 -14.109   3.196
 1012    HA   ARG  29           HA       ARG  29 -19.495 -15.817   4.415
 1013   1HB   ARG  29          HB2       ARG  29 -20.212 -16.008   2.062
 1014   2HB   ARG  29          HB1       ARG  29 -19.112 -14.709   1.628
 1015   1HG   ARG  29          HG2       ARG  29 -18.152 -16.834   1.031
 1016   2HG   ARG  29          HG1       ARG  29 -17.202 -16.116   2.337
 1017   1HD   ARG  29          HD2       ARG  29 -18.327 -17.545   3.954
 1018   2HD   ARG  29          HD1       ARG  29 -19.347 -18.217   2.683
 1019    HE   ARG  29           HE       ARG  29 -16.616 -18.577   2.046
 1020   1HH1  ARG  29          HH11      ARG  29 -19.107 -19.771   4.165
 1021   2HH1  ARG  29          HH12      ARG  29 -18.411 -21.351   4.304
 1022   1HH2  ARG  29          HH21      ARG  29 -15.691 -20.652   2.220
 1023   2HH2  ARG  29          HH22      ARG  29 -16.467 -21.851   3.199
 1024    H    LYS  30           HN       LYS  30 -17.135 -16.057   4.324
 1025    HA   LYS  30           HA       LYS  30 -15.832 -13.521   5.044
 1026   1HB   LYS  30          HB2       LYS  30 -14.706 -16.314   5.368
 1027   2HB   LYS  30          HB1       LYS  30 -14.209 -14.843   6.194
 1028   1HG   LYS  30          HG2       LYS  30 -16.812 -16.308   6.573
 1029   2HG   LYS  30          HG1       LYS  30 -15.448 -16.276   7.693
 1030   1HD   LYS  30          HD2       LYS  30 -17.081 -13.885   6.837
 1031   2HD   LYS  30          HD1       LYS  30 -17.225 -14.731   8.380
 1032   1HE   LYS  30          HE2       LYS  30 -14.913 -14.155   8.916
 1033   2HE   LYS  30          HE1       LYS  30 -14.757 -13.325   7.367
 1034   1HZ   LYS  30          HZ1       LYS  30 -16.455 -11.767   8.058
 1035   2HZ   LYS  30          HZ2       LYS  30 -15.194 -11.784   9.186
 1036   3HZ   LYS  30          HZ3       LYS  30 -16.649 -12.577   9.531
 1037    H    GLY  31           HN       GLY  31 -16.249 -13.594   2.441
 1038   1HA   GLY  31          HA2       GLY  31 -13.823 -14.656   1.125
 1039   2HA   GLY  31          HA1       GLY  31 -15.274 -14.081   0.305
 1040    H    SER  32           HN       SER  32 -15.719 -11.748   0.507
 1041    HA   SER  32           HA       SER  32 -13.297 -10.242   1.054
 1042   1HB   SER  32          HB2       SER  32 -13.649  -8.967  -1.116
 1043   2HB   SER  32          HB1       SER  32 -12.963 -10.587  -1.233
 1044    HG   SER  32           HG       SER  32 -15.564  -9.697  -1.865
 1045    H    LEU  33           HN       LEU  33 -13.654  -7.939   0.552
 1046    HA   LEU  33           HA       LEU  33 -16.068  -7.047   1.910
 1047   1HB   LEU  33          HB2       LEU  33 -14.046  -6.281   2.877
 1048   2HB   LEU  33          HB1       LEU  33 -13.390  -5.940   1.304
 1049    HG   LEU  33           HG       LEU  33 -15.709  -4.344   2.263
 1050   1HD1  LEU  33          HD11      LEU  33 -14.531  -3.737   4.081
 1051   2HD1  LEU  33          HD12      LEU  33 -13.538  -2.826   2.943
 1052   3HD1  LEU  33          HD13      LEU  33 -13.043  -4.422   3.463
 1053   1HD2  LEU  33          HD21      LEU  33 -13.679  -4.280   0.173
 1054   2HD2  LEU  33          HD22      LEU  33 -13.896  -2.737   0.994
 1055   3HD2  LEU  33          HD23      LEU  33 -15.266  -3.538   0.234
 1056    H    ASN  34           HN       ASN  34 -17.232  -5.053   0.931
 1057    HA   ASN  34           HA       ASN  34 -16.882  -5.288  -1.979
 1058   1HB   ASN  34          HB2       ASN  34 -18.901  -6.439  -1.108
 1059   2HB   ASN  34          HB1       ASN  34 -19.508  -4.876  -0.570
 1060   1HD2  ASN  34          HD21      ASN  34 -21.308  -5.019  -1.898
 1061   2HD2  ASN  34          HD22      ASN  34 -21.211  -4.827  -3.613
 1062    H    ILE  35           HN       ILE  35 -19.303  -3.127  -1.371
 1063    HA   ILE  35           HA       ILE  35 -17.493  -0.875  -1.203
 1064    HB   ILE  35           HB       ILE  35 -18.954   0.176  -3.103
 1065   1HG1  ILE  35          HG12      ILE  35 -19.542  -1.473  -4.839
 1066   2HG1  ILE  35          HG11      ILE  35 -19.056  -2.778  -3.767
 1067   1HG2  ILE  35          HG21      ILE  35 -16.561  -1.586  -3.247
 1068   2HG2  ILE  35          HG22      ILE  35 -16.701   0.153  -3.510
 1069   3HG2  ILE  35          HG23      ILE  35 -17.257  -0.975  -4.743
 1070   1HD1  ILE  35          HD11      ILE  35 -20.844  -2.282  -2.259
 1071   2HD1  ILE  35          HD12      ILE  35 -21.496  -2.441  -3.889
 1072   3HD1  ILE  35          HD13      ILE  35 -21.277  -0.842  -3.179
 1073    H    ASN  36           HN       ASN  36 -19.535  -2.066   0.528
 1074    HA   ASN  36           HA       ASN  36 -21.724  -0.190   0.521
 1075   1HB   ASN  36          HB2       ASN  36 -22.018  -2.565   1.258
 1076   2HB   ASN  36          HB1       ASN  36 -20.987  -2.221   2.644
 1077   1HD2  ASN  36          HD21      ASN  36 -21.757  -0.889   4.290
 1078   2HD2  ASN  36          HD22      ASN  36 -23.438  -0.532   4.466
 1079    H    GLU  37           HN       GLU  37 -19.344  -1.071   3.069
 1080    HA   GLU  37           HA       GLU  37 -19.666   1.569   4.145
 1081   1HB   GLU  37          HB2       GLU  37 -17.293  -0.082   4.831
 1082   2HB   GLU  37          HB1       GLU  37 -18.202   1.030   5.829
 1083   1HG   GLU  37          HG2       GLU  37 -20.126  -0.700   5.381
 1084   2HG   GLU  37          HG1       GLU  37 -18.766  -1.795   5.156
 1085    H    PHE  38           HN       PHE  38 -17.740   0.269   1.601
 1086    HA   PHE  38           HA       PHE  38 -15.597   2.016   1.590
 1087   1HB   PHE  38          HB2       PHE  38 -16.176   0.113  -0.067
 1088   2HB   PHE  38          HB1       PHE  38 -17.153   1.316  -0.901
 1089    HD1  PHE  38           HD1      PHE  38 -14.103  -0.256  -0.912
 1090    HD2  PHE  38           HD2      PHE  38 -15.798   3.618  -1.283
 1091    HE1  PHE  38           HE1      PHE  38 -12.109   0.493  -2.155
 1092    HE2  PHE  38           HE2      PHE  38 -13.818   4.381  -2.527
 1093    HZ   PHE  38           HZ       PHE  38 -11.967   2.814  -2.963
 1094    H    LYS  39           HN       LYS  39 -18.970   2.431   0.892
 1095    HA   LYS  39           HA       LYS  39 -18.926   4.933  -0.363
 1096   1HB   LYS  39          HB2       LYS  39 -21.069   3.901   1.479
 1097   2HB   LYS  39          HB1       LYS  39 -21.263   5.048   0.157
 1098   1HG   LYS  39          HG2       LYS  39 -20.050   2.632  -0.757
 1099   2HG   LYS  39          HG1       LYS  39 -21.561   2.274   0.081
 1100   1HD   LYS  39          HD2       LYS  39 -21.203   4.214  -2.205
 1101   2HD   LYS  39          HD1       LYS  39 -21.934   2.610  -2.306
 1102   1HE   LYS  39          HE2       LYS  39 -22.970   4.972  -0.741
 1103   2HE   LYS  39          HE1       LYS  39 -23.666   4.294  -2.211
 1104   1HZ   LYS  39          HZ1       LYS  39 -24.858   3.554  -0.251
 1105   2HZ   LYS  39          HZ2       LYS  39 -23.441   2.895   0.398
 1106   3HZ   LYS  39          HZ3       LYS  39 -24.106   2.242  -1.012
 1107    H    GLU  40           HN       GLU  40 -18.162   4.053   2.809
 1108    HA   GLU  40           HA       GLU  40 -18.610   6.650   3.940
 1109   1HB   GLU  40          HB2       GLU  40 -18.012   5.713   5.972
 1110   2HB   GLU  40          HB1       GLU  40 -18.618   4.299   5.117
 1111   1HG   GLU  40          HG2       GLU  40 -16.718   3.376   5.863
 1112   2HG   GLU  40          HG1       GLU  40 -16.023   4.160   4.446
 1113    H    LEU  41           HN       LEU  41 -16.432   5.562   1.692
 1114    HA   LEU  41           HA       LEU  41 -14.025   6.659   2.819
 1115   1HB   LEU  41          HB2       LEU  41 -14.588   5.621   0.050
 1116   2HB   LEU  41          HB1       LEU  41 -13.013   6.122   0.626
 1117    HG   LEU  41           HG       LEU  41 -14.589   3.689   1.243
 1118   1HD1  LEU  41          HD11      LEU  41 -11.762   3.352   1.185
 1119   2HD1  LEU  41          HD12      LEU  41 -12.258   4.326  -0.200
 1120   3HD1  LEU  41          HD13      LEU  41 -12.978   2.738   0.064
 1121   1HD2  LEU  41          HD21      LEU  41 -12.920   5.171   3.172
 1122   2HD2  LEU  41          HD22      LEU  41 -12.585   3.451   3.039
 1123   3HD2  LEU  41          HD23      LEU  41 -14.207   4.003   3.454
 1124    H    ALA  42           HN       ALA  42 -15.080   7.293  -0.476
 1125    HA   ALA  42           HA       ALA  42 -13.933   9.757  -0.786
 1126   1HB   ALA  42          HB1       ALA  42 -15.675  10.246  -2.457
 1127   2HB   ALA  42          HB2       ALA  42 -16.520   8.800  -1.928
 1128   3HB   ALA  42          HB3       ALA  42 -14.918   8.666  -2.638
 1129    H    THR  43           HN       THR  43 -17.041   9.005   0.558
 1130    HA   THR  43           HA       THR  43 -18.109  11.502   0.946
 1131    HB   THR  43           HB       THR  43 -19.278  10.408   2.954
 1132    HG1  THR  43           HG1      THR  43 -17.965   8.108   1.856
 1133   1HG2  THR  43          HG21      THR  43 -20.601   8.929   1.419
 1134   2HG2  THR  43          HG22      THR  43 -19.409   9.285   0.167
 1135   3HG2  THR  43          HG23      THR  43 -20.384  10.584   0.849
 1136    H    GLN  44           HN       GLN  44 -16.291   9.588   3.322
 1137    HA   GLN  44           HA       GLN  44 -16.094  11.811   5.156
 1138   1HB   GLN  44          HB2       GLN  44 -14.763   9.092   5.251
 1139   2HB   GLN  44          HB1       GLN  44 -14.958  10.214   6.598
 1140   1HG   GLN  44          HG2       GLN  44 -17.218   8.899   5.094
 1141   2HG   GLN  44          HG1       GLN  44 -16.562   8.341   6.642
 1142   1HE2  GLN  44          HE21      GLN  44 -16.907   9.588   8.505
 1143   2HE2  GLN  44          HE22      GLN  44 -18.152  10.783   8.582
 1144    H    GLN  45           HN       GLN  45 -13.860   9.999   3.088
 1145    HA   GLN  45           HA       GLN  45 -11.582  11.520   3.809
 1146   1HB   GLN  45          HB2       GLN  45 -10.464  10.310   2.121
 1147   2HB   GLN  45          HB1       GLN  45 -11.692   9.209   2.739
 1148   1HG   GLN  45          HG2       GLN  45 -13.142  10.038   0.853
 1149   2HG   GLN  45          HG1       GLN  45 -11.674  10.717   0.167
 1150   1HE2  GLN  45          HE21      GLN  45 -10.075   8.443   1.253
 1151   2HE2  GLN  45          HE22      GLN  45 -10.401   7.120   0.194
 1152    H    LEU  46           HN       LEU  46 -14.322  12.224   1.884
 1153    HA   LEU  46           HA       LEU  46 -13.546  13.783  -0.164
 1154   1HB   LEU  46          HB2       LEU  46 -15.881  13.732   1.524
 1155   2HB   LEU  46          HB1       LEU  46 -15.481  15.377   1.090
 1156    HG   LEU  46           HG       LEU  46 -16.115  13.125  -0.809
 1157   1HD1  LEU  46          HD11      LEU  46 -18.048  14.122   0.270
 1158   2HD1  LEU  46          HD12      LEU  46 -17.984  14.563  -1.436
 1159   3HD1  LEU  46          HD13      LEU  46 -17.500  15.729  -0.205
 1160   1HD2  LEU  46          HD21      LEU  46 -14.352  14.433  -1.798
 1161   2HD2  LEU  46          HD22      LEU  46 -15.170  15.932  -1.365
 1162   3HD2  LEU  46          HD23      LEU  46 -15.878  14.857  -2.571
 1163    HA   PRO  47           HA       PRO  47 -12.412  17.556   2.244
 1164   1HB   PRO  47          HB2       PRO  47 -13.084  17.999   4.779
 1165   2HB   PRO  47          HB1       PRO  47 -14.284  18.193   3.495
 1166   1HG   PRO  47          HG2       PRO  47 -13.858  15.881   5.357
 1167   2HG   PRO  47          HG1       PRO  47 -15.377  16.668   4.889
 1168   1HD   PRO  47          HD2       PRO  47 -14.456  14.358   3.738
 1169   2HD   PRO  47          HD1       PRO  47 -15.498  15.529   2.914
 1170    H    HIS  48           HN       HIS  48 -10.507  16.499   2.004
 1171    HA   HIS  48           HA       HIS  48  -9.131  15.620   4.406
 1172   1HB   HIS  48          HB2       HIS  48  -9.136  14.886   1.703
 1173   2HB   HIS  48          HB1       HIS  48  -7.539  15.590   2.022
 1174    HD1  HIS  48           HD1      HIS  48  -6.213  14.502   4.115
 1175    HD2  HIS  48           HD2      HIS  48  -9.436  12.326   2.657
 1176    HE1  HIS  48           HE1      HIS  48  -5.977  12.211   5.110
 1177    HE2  HIS  48           HE2      HIS  48  -7.994  10.943   4.296
 1178    H    LEU  49           HN       LEU  49  -6.575  16.339   3.754
 1179    HA   LEU  49           HA       LEU  49  -6.608  19.203   4.109
 1180   1HB   LEU  49          HB2       LEU  49  -4.362  17.175   3.936
 1181   2HB   LEU  49          HB1       LEU  49  -4.078  18.898   4.094
 1182    HG   LEU  49           HG       LEU  49  -5.478  17.128   6.099
 1183   1HD1  LEU  49          HD11      LEU  49  -3.559  17.594   7.512
 1184   2HD1  LEU  49          HD12      LEU  49  -2.829  18.560   6.230
 1185   3HD1  LEU  49          HD13      LEU  49  -3.051  16.824   6.010
 1186   1HD2  LEU  49          HD21      LEU  49  -5.537  19.108   7.526
 1187   2HD2  LEU  49          HD22      LEU  49  -6.464  19.359   6.047
 1188   3HD2  LEU  49          HD23      LEU  49  -4.863  20.078   6.217
 1189    H    LEU  50           HN       LEU  50  -4.492  17.290   2.030
 1190    HA   LEU  50           HA       LEU  50  -4.926  19.086  -0.211
 1191   1HB   LEU  50          HB2       LEU  50  -2.651  18.258   0.388
 1192   2HB   LEU  50          HB1       LEU  50  -3.172  16.630  -0.003
 1193    HG   LEU  50           HG       LEU  50  -3.521  17.301  -2.342
 1194   1HD1  LEU  50          HD11      LEU  50  -4.071  19.646  -1.976
 1195   2HD1  LEU  50          HD12      LEU  50  -2.740  19.478  -3.121
 1196   3HD1  LEU  50          HD13      LEU  50  -2.416  19.962  -1.456
 1197   1HD2  LEU  50          HD21      LEU  50  -1.162  17.598  -2.934
 1198   2HD2  LEU  50          HD22      LEU  50  -1.371  16.375  -1.681
 1199   3HD2  LEU  50          HD23      LEU  50  -0.793  17.986  -1.255
 1200    H    LYS  51           HN       LYS  51  -7.292  17.897   0.329
 1201    HA   LYS  51           HA       LYS  51  -8.029  15.448  -0.440
 1202   1HB   LYS  51          HB2       LYS  51  -9.653  16.981   0.351
 1203   2HB   LYS  51          HB1       LYS  51  -9.416  18.056  -1.017
 1204   1HG   LYS  51          HG2       LYS  51 -10.290  16.191  -2.462
 1205   2HG   LYS  51          HG1       LYS  51 -10.760  15.346  -0.985
 1206   1HD   LYS  51          HD2       LYS  51 -11.951  17.696  -2.346
 1207   2HD   LYS  51          HD1       LYS  51 -12.721  16.424  -1.406
 1208   1HE   LYS  51          HE2       LYS  51 -11.652  17.591   0.628
 1209   2HE   LYS  51          HE1       LYS  51 -11.428  18.957  -0.455
 1210   1HZ   LYS  51          HZ1       LYS  51 -13.813  18.963  -0.875
 1211   2HZ   LYS  51          HZ2       LYS  51 -13.488  19.159   0.774
 1212   3HZ   LYS  51          HZ3       LYS  51 -14.023  17.665   0.189
 1213    H    ASP  52           HN       ASP  52  -8.988  14.541  -2.319
 1214    HA   ASP  52           HA       ASP  52  -7.492  15.246  -4.751
 1215   1HB   ASP  52          HB2       ASP  52  -7.262  12.918  -3.892
 1216   2HB   ASP  52          HB1       ASP  52  -8.998  12.700  -4.094
 1217    H    VAL  53           HN       VAL  53 -10.655  14.586  -3.428
 1218    HA   VAL  53           HA       VAL  53 -12.585  15.720  -3.916
 1219    HB   VAL  53           HB       VAL  53 -11.192  17.121  -5.583
 1220   1HG1  VAL  53          HG11      VAL  53 -11.344  15.125  -7.294
 1221   2HG1  VAL  53          HG12      VAL  53 -11.390  16.802  -7.837
 1222   3HG1  VAL  53          HG13      VAL  53 -12.887  15.883  -7.685
 1223   1HG2  VAL  53          HG21      VAL  53 -13.247  18.203  -6.344
 1224   2HG2  VAL  53          HG22      VAL  53 -13.331  17.753  -4.640
 1225   3HG2  VAL  53          HG23      VAL  53 -14.168  16.782  -5.852
 1226    H    GLY  54           HN       GLY  54 -13.107  13.607  -3.388
 1227   1HA   GLY  54          HA2       GLY  54 -13.579  11.487  -5.137
 1228   2HA   GLY  54          HA1       GLY  54 -14.521  11.798  -3.690
 1229    H    SER  55           HN       SER  55 -14.292  12.385  -7.149
 1230    HA   SER  55           HA       SER  55 -16.593  13.921  -7.497
 1231   1HB   SER  55          HB2       SER  55 -14.815  13.396  -9.210
 1232   2HB   SER  55          HB1       SER  55 -15.582  11.824  -9.420
 1233    HG   SER  55           HG       SER  55 -16.621  14.382 -10.008
 1234    H    LEU  56           HN       LEU  56 -18.709  13.483  -7.385
 1235    HA   LEU  56           HA       LEU  56 -19.810  11.356  -6.131
 1236   1HB   LEU  56          HB2       LEU  56 -21.055  12.929  -8.387
 1237   2HB   LEU  56          HB1       LEU  56 -21.946  11.888  -7.292
 1238    HG   LEU  56           HG       LEU  56 -20.423  14.373  -6.499
 1239   1HD1  LEU  56          HD11      LEU  56 -22.640  15.314  -6.067
 1240   2HD1  LEU  56          HD12      LEU  56 -23.385  13.848  -6.705
 1241   3HD1  LEU  56          HD13      LEU  56 -22.435  14.887  -7.766
 1242   1HD2  LEU  56          HD21      LEU  56 -20.415  12.708  -4.728
 1243   2HD2  LEU  56          HD22      LEU  56 -22.161  12.517  -4.877
 1244   3HD2  LEU  56          HD23      LEU  56 -21.487  14.045  -4.313
 1245    H    ASP  57           HN       ASP  57 -19.867  11.625  -9.700
 1246    HA   ASP  57           HA       ASP  57 -20.800   9.076 -10.203
 1247   1HB   ASP  57          HB2       ASP  57 -19.374   9.299 -12.356
 1248   2HB   ASP  57          HB1       ASP  57 -20.758  10.367 -12.119
 1249    H    GLU  58           HN       GLU  58 -17.536  10.186  -9.975
 1250    HA   GLU  58           HA       GLU  58 -16.177   7.826 -10.520
 1251   1HB   GLU  58          HB2       GLU  58 -15.142  10.117 -10.216
 1252   2HB   GLU  58          HB1       GLU  58 -15.297   9.881  -8.475
 1253   1HG   GLU  58          HG2       GLU  58 -13.843   7.945  -8.590
 1254   2HG   GLU  58          HG1       GLU  58 -13.737   8.105 -10.341
 1255    H    LYS  59           HN       LYS  59 -17.489   9.119  -7.533
 1256    HA   LYS  59           HA       LYS  59 -16.629   7.070  -5.851
 1257   1HB   LYS  59          HB2       LYS  59 -19.017   8.898  -5.620
 1258   2HB   LYS  59          HB1       LYS  59 -18.453   7.838  -4.326
 1259   1HG   LYS  59          HG2       LYS  59 -16.468   9.038  -4.073
 1260   2HG   LYS  59          HG1       LYS  59 -16.657   9.872  -5.609
 1261   1HD   LYS  59          HD2       LYS  59 -17.119  11.288  -3.615
 1262   2HD   LYS  59          HD1       LYS  59 -18.466  11.180  -4.748
 1263   1HE   LYS  59          HE2       LYS  59 -19.353   9.310  -3.270
 1264   2HE   LYS  59          HE1       LYS  59 -18.153   9.823  -2.085
 1265   1HZ   LYS  59          HZ1       LYS  59 -20.337  11.495  -3.201
 1266   2HZ   LYS  59          HZ2       LYS  59 -19.149  12.045  -2.130
 1267   3HZ   LYS  59          HZ3       LYS  59 -20.256  10.867  -1.631
 1268    H    MET  60           HN       MET  60 -19.189   7.257  -8.141
 1269    HA   MET  60           HA       MET  60 -20.639   4.981  -7.087
 1270   1HB   MET  60          HB2       MET  60 -20.911   6.553  -9.659
 1271   2HB   MET  60          HB1       MET  60 -21.977   5.229  -9.198
 1272   1HG   MET  60          HG2       MET  60 -21.590   7.769  -7.632
 1273   2HG   MET  60          HG1       MET  60 -22.932   7.440  -8.727
 1274   1HE   MET  60          HE1       MET  60 -24.647   8.027  -6.800
 1275   2HE   MET  60          HE2       MET  60 -23.325   8.342  -5.676
 1276   3HE   MET  60          HE3       MET  60 -24.641   7.264  -5.210
 1277    H    LYS  61           HN       LYS  61 -18.816   5.613 -10.071
 1278    HA   LYS  61           HA       LYS  61 -18.847   2.975 -11.016
 1279   1HB   LYS  61          HB2       LYS  61 -16.666   3.737 -12.127
 1280   2HB   LYS  61          HB1       LYS  61 -18.214   4.316 -12.691
 1281   1HG   LYS  61          HG2       LYS  61 -17.926   6.414 -11.622
 1282   2HG   LYS  61          HG1       LYS  61 -16.511   5.854 -10.740
 1283   1HD   LYS  61          HD2       LYS  61 -15.867   7.280 -12.606
 1284   2HD   LYS  61          HD1       LYS  61 -15.289   5.631 -12.851
 1285   1HE   LYS  61          HE2       LYS  61 -17.176   5.188 -14.337
 1286   2HE   LYS  61          HE1       LYS  61 -17.771   6.827 -14.079
 1287   1HZ   LYS  61          HZ1       LYS  61 -15.749   7.682 -15.084
 1288   2HZ   LYS  61          HZ2       LYS  61 -16.546   6.641 -16.152
 1289   3HZ   LYS  61          HZ3       LYS  61 -15.171   6.110 -15.323
 1290    H    THR  62           HN       THR  62 -16.307   4.667  -9.243
 1291    HA   THR  62           HA       THR  62 -14.384   2.776  -9.127
 1292    HB   THR  62           HB       THR  62 -15.245   4.507  -6.812
 1293    HG1  THR  62           HG1      THR  62 -14.661   5.582  -8.812
 1294   1HG2  THR  62          HG21      THR  62 -12.771   4.278  -6.220
 1295   2HG2  THR  62          HG22      THR  62 -12.745   2.910  -7.332
 1296   3HG2  THR  62          HG23      THR  62 -13.790   2.872  -5.912
 1297    H    LEU  63           HN       LEU  63 -17.460   2.673  -7.437
 1298    HA   LEU  63           HA       LEU  63 -16.999   0.786  -5.493
 1299   1HB   LEU  63          HB2       LEU  63 -19.349   1.226  -7.301
 1300   2HB   LEU  63          HB1       LEU  63 -19.326  -0.160  -6.233
 1301    HG   LEU  63           HG       LEU  63 -18.751   1.818  -4.471
 1302   1HD1  LEU  63          HD11      LEU  63 -19.065   3.424  -6.399
 1303   2HD1  LEU  63          HD12      LEU  63 -19.968   3.765  -4.924
 1304   3HD1  LEU  63          HD13      LEU  63 -20.781   3.036  -6.310
 1305   1HD2  LEU  63          HD21      LEU  63 -20.678   1.161  -3.528
 1306   2HD2  LEU  63          HD22      LEU  63 -20.761   0.012  -4.863
 1307   3HD2  LEU  63          HD23      LEU  63 -21.623   1.544  -4.966
 1308    H    ASP  64           HN       ASP  64 -18.151   0.042  -8.758
 1309    HA   ASP  64           HA       ASP  64 -17.722  -2.692  -8.727
 1310   1HB   ASP  64          HB2       ASP  64 -17.683  -0.664 -10.945
 1311   2HB   ASP  64          HB1       ASP  64 -17.365  -2.363 -11.258
 1312    H    VAL  65           HN       VAL  65 -15.500  -0.097  -9.672
 1313    HA   VAL  65           HA       VAL  65 -13.349  -1.636 -10.516
 1314    HB   VAL  65           HB       VAL  65 -13.242   1.004  -9.042
 1315   1HG1  VAL  65          HG11      VAL  65 -11.059   1.299  -9.982
 1316   2HG1  VAL  65          HG12      VAL  65 -11.198  -0.201 -10.899
 1317   3HG1  VAL  65          HG13      VAL  65 -11.089  -0.249  -9.139
 1318   1HG2  VAL  65          HG21      VAL  65 -13.363   0.397 -11.994
 1319   2HG2  VAL  65          HG22      VAL  65 -13.125   1.995 -11.287
 1320   3HG2  VAL  65          HG23      VAL  65 -14.640   1.132 -11.024
 1321    H    ASN  66           HN       ASN  66 -13.364   0.034  -7.370
 1322    HA   ASN  66           HA       ASN  66 -11.625  -2.000  -6.255
 1323   1HB   ASN  66          HB2       ASN  66 -12.851   0.197  -4.638
 1324   2HB   ASN  66          HB1       ASN  66 -11.286  -0.588  -4.452
 1325   1HD2  ASN  66          HD21      ASN  66 -10.621  -0.400  -7.272
 1326   2HD2  ASN  66          HD22      ASN  66 -10.221   1.254  -7.565
 1327    H    GLN  67           HN       GLN  67 -14.255  -2.935  -6.941
 1328    HA   GLN  67           HA       GLN  67 -16.118  -3.054  -4.971
 1329   1HB   GLN  67          HB2       GLN  67 -17.028  -4.299  -6.586
 1330   2HB   GLN  67          HB1       GLN  67 -15.478  -4.415  -7.382
 1331   1HG   GLN  67          HG2       GLN  67 -15.917  -6.327  -5.183
 1332   2HG   GLN  67          HG1       GLN  67 -16.972  -6.485  -6.577
 1333   1HE2  GLN  67          HE21      GLN  67 -13.795  -5.248  -7.219
 1334   2HE2  GLN  67          HE22      GLN  67 -13.121  -6.720  -7.831
 1335    H    ASP  68           HN       ASP  68 -13.596  -5.492  -5.398
 1336    HA   ASP  68           HA       ASP  68 -13.889  -6.331  -2.673
 1337   1HB   ASP  68          HB2       ASP  68 -12.332  -7.384  -5.015
 1338   2HB   ASP  68          HB1       ASP  68 -12.102  -8.000  -3.379
 1339    H    SER  69           HN       SER  69 -12.953  -3.669  -3.044
 1340    HA   SER  69           HA       SER  69 -10.300  -3.140  -3.150
 1341   1HB   SER  69          HB2       SER  69 -11.841  -1.327  -2.783
 1342   2HB   SER  69          HB1       SER  69 -12.400  -2.025  -1.265
 1343    HG   SER  69           HG       SER  69 -10.983  -0.439  -0.717
 1344    H    GLU  70           HN       GLU  70 -12.055  -4.747  -0.665
 1345    HA   GLU  70           HA       GLU  70  -9.549  -5.366   0.749
 1346   1HB   GLU  70          HB2       GLU  70 -10.669  -4.478   2.516
 1347   2HB   GLU  70          HB1       GLU  70 -12.222  -4.675   1.729
 1348   1HG   GLU  70          HG2       GLU  70 -12.235  -6.054   3.696
 1349   2HG   GLU  70          HG1       GLU  70 -12.130  -7.121   2.310
 1350    H    LEU  71           HN       LEU  71  -9.334  -7.578   1.394
 1351    HA   LEU  71           HA       LEU  71 -11.334  -9.337   0.272
 1352   1HB   LEU  71          HB2       LEU  71  -9.856  -9.047  -1.433
 1353   2HB   LEU  71          HB1       LEU  71  -8.469  -9.046  -0.383
 1354    HG   LEU  71           HG       LEU  71  -8.703 -10.955  -1.788
 1355   1HD1  LEU  71          HD11      LEU  71  -8.844 -12.462   0.548
 1356   2HD1  LEU  71          HD12      LEU  71  -7.989 -10.967   0.877
 1357   3HD1  LEU  71          HD13      LEU  71  -7.437 -12.039  -0.404
 1358   1HD2  LEU  71          HD21      LEU  71 -11.217 -11.221  -0.367
 1359   2HD2  LEU  71          HD22      LEU  71 -10.441 -12.604  -1.057
 1360   3HD2  LEU  71          HD23      LEU  71 -10.911 -11.288  -2.069
 1361    H    ARG  72           HN       ARG  72 -11.618 -11.273   1.267
 1362    HA   ARG  72           HA       ARG  72  -9.879 -11.975   3.520
 1363   1HB   ARG  72          HB2       ARG  72 -12.521 -13.293   3.135
 1364   2HB   ARG  72          HB1       ARG  72 -11.706 -12.851   4.626
 1365   1HG   ARG  72          HG2       ARG  72 -13.275 -11.077   2.782
 1366   2HG   ARG  72          HG1       ARG  72 -13.665 -11.527   4.441
 1367   1HD   ARG  72          HD2       ARG  72 -11.697  -9.554   3.411
 1368   2HD   ARG  72          HD1       ARG  72 -12.816  -9.431   4.761
 1369    HE   ARG  72           HE       ARG  72 -10.137 -10.516   4.816
 1370   1HH1  ARG  72          HH11      ARG  72 -13.216 -10.294   6.442
 1371   2HH1  ARG  72          HH12      ARG  72 -12.562 -10.670   8.000
 1372   1HH2  ARG  72          HH21      ARG  72  -9.275 -11.017   6.863
 1373   2HH2  ARG  72          HH22      ARG  72 -10.324 -11.079   8.240
 1374    H    PHE  73           HN       PHE  73 -11.312 -13.015   0.513
 1375    HA   PHE  73           HA       PHE  73 -10.005 -15.594   0.626
 1376   1HB   PHE  73          HB2       PHE  73 -11.476 -16.368  -1.037
 1377   2HB   PHE  73          HB1       PHE  73 -12.410 -15.338   0.007
 1378    HD1  PHE  73           HD1      PHE  73 -11.950 -16.250  -3.261
 1379    HD2  PHE  73           HD2      PHE  73 -12.558 -12.791  -0.880
 1380    HE1  PHE  73           HE1      PHE  73 -12.836 -15.040  -5.210
 1381    HE2  PHE  73           HE2      PHE  73 -13.391 -11.571  -2.786
 1382    HZ   PHE  73           HZ       PHE  73 -13.571 -12.701  -4.984
 1383    H    SER  74           HN       SER  74 -10.276 -13.795  -2.533
 1384    HA   SER  74           HA       SER  74  -7.366 -14.097  -2.674
 1385   1HB   SER  74          HB2       SER  74  -7.691 -14.452  -5.196
 1386   2HB   SER  74          HB1       SER  74  -8.000 -15.813  -4.120
 1387    HG   SER  74           HG       SER  74 -10.051 -15.749  -4.625
 1388    H    GLU  75           HN       GLU  75 -10.029 -12.131  -3.366
 1389    HA   GLU  75           HA       GLU  75  -8.967 -10.320  -5.197
 1390   1HB   GLU  75          HB2       GLU  75 -10.892  -9.761  -2.961
 1391   2HB   GLU  75          HB1       GLU  75 -10.703  -8.810  -4.427
 1392   1HG   GLU  75          HG2       GLU  75 -11.430 -11.685  -4.591
 1393   2HG   GLU  75          HG1       GLU  75 -12.655 -10.479  -4.207
 1394    H    TYR  76           HN       TYR  76  -7.005 -10.797  -2.855
 1395    HA   TYR  76           HA       TYR  76  -7.044  -8.400  -1.417
 1396   1HB   TYR  76          HB2       TYR  76  -5.423 -10.799  -1.382
 1397   2HB   TYR  76          HB1       TYR  76  -4.445  -9.353  -1.152
 1398    HD1  TYR  76           HD1      TYR  76  -4.942 -11.627   0.794
 1399    HD2  TYR  76           HD2      TYR  76  -6.816  -7.856   0.309
 1400    HE1  TYR  76           HE1      TYR  76  -5.663 -11.693   3.129
 1401    HE2  TYR  76           HE2      TYR  76  -7.545  -7.897   2.621
 1402    HH   TYR  76           HH       TYR  76  -6.297 -10.098   4.903
 1403    H    TRP  77           HN       TRP  77  -5.687  -9.499  -4.360
 1404    HA   TRP  77           HA       TRP  77  -3.730  -7.563  -4.902
 1405   1HB   TRP  77          HB2       TRP  77  -4.372  -7.840  -7.277
 1406   2HB   TRP  77          HB1       TRP  77  -4.296  -9.403  -6.457
 1407    HD1  TRP  77           HD1      TRP  77  -7.072  -6.751  -7.118
 1408    HE1  TRP  77           HE1      TRP  77  -9.200  -8.021  -7.737
 1409    HE3  TRP  77           HE3      TRP  77  -5.353 -11.537  -6.639
 1410    HZ2  TRP  77           HZ2      TRP  77 -10.077 -10.705  -7.970
 1411    HZ3  TRP  77           HZ3      TRP  77  -6.899 -13.399  -7.042
 1412    HH2  TRP  77           HH2      TRP  77  -9.214 -12.993  -7.695
 1413    H    ARG  78           HN       ARG  78  -7.178  -7.246  -4.511
 1414    HA   ARG  78           HA       ARG  78  -7.552  -4.838  -5.789
 1415   1HB   ARG  78          HB2       ARG  78  -8.885  -5.998  -3.342
 1416   2HB   ARG  78          HB1       ARG  78  -9.439  -4.529  -4.143
 1417   1HG   ARG  78          HG2       ARG  78  -9.194  -7.183  -5.521
 1418   2HG   ARG  78          HG1       ARG  78 -10.660  -6.597  -4.739
 1419   1HD   ARG  78          HD2       ARG  78 -10.801  -4.736  -6.224
 1420   2HD   ARG  78          HD1       ARG  78  -9.219  -5.100  -6.912
 1421    HE   ARG  78           HE       ARG  78 -11.057  -7.262  -7.220
 1422   1HH1  ARG  78          HH11      ARG  78 -10.104  -4.178  -8.527
 1423   2HH1  ARG  78          HH12      ARG  78 -10.686  -4.528 -10.120
 1424   1HH2  ARG  78          HH21      ARG  78 -11.823  -7.735  -9.316
 1425   2HH2  ARG  78          HH22      ARG  78 -11.664  -6.551 -10.569
 1426    H    LEU  79           HN       LEU  79  -6.295  -5.623  -2.579
 1427    HA   LEU  79           HA       LEU  79  -6.179  -3.005  -1.540
 1428   1HB   LEU  79          HB2       LEU  79  -4.061  -5.004  -0.902
 1429   2HB   LEU  79          HB1       LEU  79  -4.778  -3.806   0.140
 1430    HG   LEU  79           HG       LEU  79  -6.012  -6.413  -0.728
 1431   1HD1  LEU  79          HD11      LEU  79  -4.636  -5.397   1.706
 1432   2HD1  LEU  79          HD12      LEU  79  -4.563  -6.989   0.950
 1433   3HD1  LEU  79          HD13      LEU  79  -5.970  -6.528   1.907
 1434   1HD2  LEU  79          HD21      LEU  79  -7.218  -3.972   0.203
 1435   2HD2  LEU  79          HD22      LEU  79  -7.483  -5.293   1.342
 1436   3HD2  LEU  79          HD23      LEU  79  -7.970  -5.469  -0.344
 1437    H    ILE  80           HN       ILE  80  -4.339  -4.637  -3.906
 1438    HA   ILE  80           HA       ILE  80  -1.864  -3.521  -3.718
 1439    HB   ILE  80           HB       ILE  80  -2.962  -5.229  -5.427
 1440   1HG1  ILE  80          HG12      ILE  80  -0.606  -3.412  -6.035
 1441   2HG1  ILE  80          HG11      ILE  80  -0.576  -4.912  -5.115
 1442   1HG2  ILE  80          HG21      ILE  80  -2.900  -2.655  -7.027
 1443   2HG2  ILE  80          HG22      ILE  80  -4.324  -3.617  -6.647
 1444   3HG2  ILE  80          HG23      ILE  80  -3.077  -4.273  -7.701
 1445   1HD1  ILE  80          HD11      ILE  80   0.299  -5.249  -7.341
 1446   2HD1  ILE  80          HD12      ILE  80  -1.200  -4.641  -8.044
 1447   3HD1  ILE  80          HD13      ILE  80  -1.203  -6.148  -7.129
 1448    H    GLY  81           HN       GLY  81  -4.622  -2.120  -5.522
 1449   1HA   GLY  81          HA2       GLY  81  -3.222   0.402  -5.811
 1450   2HA   GLY  81          HA1       GLY  81  -4.832   0.026  -6.405
 1451    H    GLU  82           HN       GLU  82  -4.794  -0.950  -3.240
 1452    HA   GLU  82           HA       GLU  82  -6.395   1.274  -2.440
 1453   1HB   GLU  82          HB2       GLU  82  -5.591  -1.239  -1.093
 1454   2HB   GLU  82          HB1       GLU  82  -6.582  -0.033  -0.302
 1455   1HG   GLU  82          HG2       GLU  82  -7.256  -1.691  -2.694
 1456   2HG   GLU  82          HG1       GLU  82  -8.078  -1.639  -1.139
 1457    H    LEU  83           HN       LEU  83  -3.689  -0.365  -0.862
 1458    HA   LEU  83           HA       LEU  83  -3.167   1.523   1.073
 1459   1HB   LEU  83          HB2       LEU  83  -1.470  -0.491  -0.338
 1460   2HB   LEU  83          HB1       LEU  83  -0.713   0.652   0.757
 1461    HG   LEU  83           HG       LEU  83  -3.038  -1.022   1.642
 1462   1HD1  LEU  83          HD11      LEU  83  -1.637  -2.766   2.347
 1463   2HD1  LEU  83          HD12      LEU  83  -0.175  -1.831   2.045
 1464   3HD1  LEU  83          HD13      LEU  83  -1.134  -2.427   0.691
 1465   1HD2  LEU  83          HD21      LEU  83  -1.821  -0.694   3.844
 1466   2HD2  LEU  83          HD22      LEU  83  -2.573   0.733   3.136
 1467   3HD2  LEU  83          HD23      LEU  83  -0.833   0.494   3.002
 1468    H    ALA  84           HN       ALA  84  -2.526   1.535  -2.310
 1469    HA   ALA  84           HA       ALA  84  -0.661   3.677  -2.218
 1470   1HB   ALA  84          HB1       ALA  84  -0.997   3.831  -4.631
 1471   2HB   ALA  84          HB2       ALA  84  -2.368   2.729  -4.501
 1472   3HB   ALA  84          HB3       ALA  84  -0.742   2.166  -4.111
 1473    H    LYS  85           HN       LYS  85  -4.168   3.520  -2.418
 1474    HA   LYS  85           HA       LYS  85  -4.893   5.994  -3.329
 1475   1HB   LYS  85          HB2       LYS  85  -6.099   4.716  -0.889
 1476   2HB   LYS  85          HB1       LYS  85  -6.852   5.903  -1.926
 1477   1HG   LYS  85          HG2       LYS  85  -7.253   4.388  -3.607
 1478   2HG   LYS  85          HG1       LYS  85  -5.962   3.309  -3.086
 1479   1HD   LYS  85          HD2       LYS  85  -8.290   2.472  -2.647
 1480   2HD   LYS  85          HD1       LYS  85  -7.234   2.526  -1.237
 1481   1HE   LYS  85          HE2       LYS  85  -8.378   4.965  -1.099
 1482   2HE   LYS  85          HE1       LYS  85  -9.683   4.038  -1.835
 1483   1HZ   LYS  85          HZ1       LYS  85  -8.304   3.409   0.716
 1484   2HZ   LYS  85          HZ2       LYS  85  -9.476   2.431  -0.013
 1485   3HZ   LYS  85          HZ3       LYS  85  -9.889   3.976   0.539
 1486    H    GLU  86           HN       GLU  86  -3.299   5.241  -0.396
 1487    HA   GLU  86           HA       GLU  86  -3.607   7.885   0.703
 1488   1HB   GLU  86          HB2       GLU  86  -1.646   5.841   1.675
 1489   2HB   GLU  86          HB1       GLU  86  -2.508   7.068   2.596
 1490   1HG   GLU  86          HG2       GLU  86  -3.667   4.573   1.388
 1491   2HG   GLU  86          HG1       GLU  86  -3.376   4.896   3.091
 1492    H    VAL  87           HN       VAL  87  -1.016   5.906  -0.632
 1493    HA   VAL  87           HA       VAL  87   1.034   7.800  -0.385
 1494    HB   VAL  87           HB       VAL  87   0.798   5.386  -2.180
 1495   1HG1  VAL  87          HG11      VAL  87   2.364   7.008  -3.139
 1496   2HG1  VAL  87          HG12      VAL  87   3.200   5.594  -2.516
 1497   3HG1  VAL  87          HG13      VAL  87   3.217   7.095  -1.599
 1498   1HG2  VAL  87          HG21      VAL  87   2.268   4.358  -0.543
 1499   2HG2  VAL  87          HG22      VAL  87   0.805   4.958   0.240
 1500   3HG2  VAL  87          HG23      VAL  87   2.315   5.855   0.387
 1501    H    ARG  88           HN       ARG  88  -1.210   7.170  -3.027
 1502    HA   ARG  88           HA       ARG  88  -0.054   8.399  -5.143
 1503   1HB   ARG  88          HB2       ARG  88  -2.332   7.325  -5.008
 1504   2HB   ARG  88          HB1       ARG  88  -2.936   8.866  -4.406
 1505   1HG   ARG  88          HG2       ARG  88  -2.446   9.966  -6.440
 1506   2HG   ARG  88          HG1       ARG  88  -1.492   8.602  -7.027
 1507   1HD   ARG  88          HD2       ARG  88  -4.459   8.556  -6.488
 1508   2HD   ARG  88          HD1       ARG  88  -3.716   8.722  -8.078
 1509    HE   ARG  88           HE       ARG  88  -2.857   6.383  -6.649
 1510   1HH1  ARG  88          HH11      ARG  88  -5.299   7.718  -8.740
 1511   2HH1  ARG  88          HH12      ARG  88  -5.770   6.182  -9.386
 1512   1HH2  ARG  88          HH21      ARG  88  -3.469   4.352  -7.493
 1513   2HH2  ARG  88          HH22      ARG  88  -4.729   4.268  -8.678
 1514    H    LYS  89           HN       LYS  89  -2.359  10.301  -3.207
 1515    HA   LYS  89           HA       LYS  89  -1.426  12.780  -4.196
 1516   1HB   LYS  89          HB2       LYS  89  -2.725  13.785  -2.357
 1517   2HB   LYS  89          HB1       LYS  89  -3.653  12.610  -3.264
 1518   1HG   LYS  89          HG2       LYS  89  -2.417  11.218  -1.084
 1519   2HG   LYS  89          HG1       LYS  89  -3.135  12.723  -0.481
 1520   1HD   LYS  89          HD2       LYS  89  -4.814  11.007  -0.382
 1521   2HD   LYS  89          HD1       LYS  89  -5.248  12.189  -1.610
 1522   1HE   LYS  89          HE2       LYS  89  -3.829   9.647  -2.311
 1523   2HE   LYS  89          HE1       LYS  89  -5.573   9.703  -2.134
 1524   1HZ   LYS  89          HZ1       LYS  89  -3.886  10.936  -4.194
 1525   2HZ   LYS  89          HZ2       LYS  89  -5.345  11.683  -3.785
 1526   3HZ   LYS  89          HZ3       LYS  89  -5.343  10.092  -4.356
 1527    H    GLU  90           HN       GLU  90  -0.604  10.798  -1.499
 1528    HA   GLU  90           HA       GLU  90   0.836  12.697  -0.015
 1529   1HB   GLU  90          HB2       GLU  90   0.703   9.711  -0.109
 1530   2HB   GLU  90          HB1       GLU  90   1.824  10.534   0.982
 1531   1HG   GLU  90          HG2       GLU  90  -1.172  10.907   0.882
 1532   2HG   GLU  90          HG1       GLU  90  -0.280   9.948   2.082
 1533    H    LYS  91           HN       LYS  91   1.530  11.274  -3.001
 1534    HA   LYS  91           HA       LYS  91   4.304  10.959  -2.843
 1535   1HB   LYS  91          HB2       LYS  91   4.318  10.900  -5.194
 1536   2HB   LYS  91          HB1       LYS  91   2.772  10.211  -4.726
 1537   1HG   LYS  91          HG2       LYS  91   1.712  12.403  -5.180
 1538   2HG   LYS  91          HG1       LYS  91   3.270  12.996  -5.757
 1539   1HD   LYS  91          HD2       LYS  91   3.282  11.198  -7.457
 1540   2HD   LYS  91          HD1       LYS  91   1.675  10.710  -6.914
 1541   1HE   LYS  91          HE2       LYS  91   0.824  12.948  -7.483
 1542   2HE   LYS  91          HE1       LYS  91   2.427  13.395  -8.065
 1543   1HZ   LYS  91          HZ1       LYS  91   2.260  11.622  -9.720
 1544   2HZ   LYS  91          HZ2       LYS  91   1.015  12.754  -9.894
 1545   3HZ   LYS  91          HZ3       LYS  91   0.698  11.253  -9.181
 1546    H    ALA  92           HN       ALA  92   2.333  13.711  -3.854
 1547    HA   ALA  92           HA       ALA  92   4.645  15.446  -4.023
 1548   1HB   ALA  92          HB1       ALA  92   2.995  17.206  -4.550
 1549   2HB   ALA  92          HB2       ALA  92   1.697  16.047  -4.258
 1550   3HB   ALA  92          HB3       ALA  92   2.829  15.790  -5.587
 1551    H    LEU  93           HN       LEU  93   1.707  15.398  -1.989
 1552    HA   LEU  93           HA       LEU  93   2.411  17.438  -0.271
 1553   1HB   LEU  93          HB2       LEU  93   0.234  16.271  -0.243
 1554   2HB   LEU  93          HB1       LEU  93   1.011  14.875   0.493
 1555    HG   LEU  93           HG       LEU  93   1.370  17.458   1.886
 1556   1HD1  LEU  93          HD11      LEU  93  -0.965  17.639   1.261
 1557   2HD1  LEU  93          HD12      LEU  93  -0.826  17.284   2.983
 1558   3HD1  LEU  93          HD13      LEU  93  -1.275  16.007   1.853
 1559   1HD2  LEU  93          HD21      LEU  93   1.115  16.037   3.849
 1560   2HD2  LEU  93          HD22      LEU  93   2.311  15.369   2.737
 1561   3HD2  LEU  93          HD23      LEU  93   0.694  14.670   2.817
 1562    H    GLY  94           HN       GLY  94   3.691  14.237  -0.518
 1563   1HA   GLY  94          HA2       GLY  94   4.845  13.732   1.917
 1564   2HA   GLY  94          HA1       GLY  94   5.601  13.338   0.367
 1565    H    ILE  95           HN       ILE  95   5.719  16.118  -0.426
 1566    HA   ILE  95           HA       ILE  95   8.331  16.625   0.434
 1567    HB   ILE  95           HB       ILE  95   8.226  18.683  -0.804
 1568   1HG1  ILE  95          HG12      ILE  95   5.266  18.208  -0.669
 1569   2HG1  ILE  95          HG11      ILE  95   6.159  19.695  -0.411
 1570   1HG2  ILE  95          HG21      ILE  95   8.660  16.724  -2.006
 1571   2HG2  ILE  95          HG22      ILE  95   7.562  17.702  -2.980
 1572   3HG2  ILE  95          HG23      ILE  95   6.948  16.311  -2.088
 1573   1HD1  ILE  95          HD11      ILE  95   6.580  19.856  -2.818
 1574   2HD1  ILE  95          HD12      ILE  95   4.859  19.838  -2.433
 1575   3HD1  ILE  95          HD13      ILE  95   5.636  18.387  -3.067
 1576    H    ARG  96           HN       ARG  96   7.532  16.469   2.819
 1577    HA   ARG  96           HA       ARG  96   6.448  18.739   4.043
 1578   1HB   ARG  96          HB2       ARG  96   8.446  16.719   5.085
 1579   2HB   ARG  96          HB1       ARG  96   7.681  17.944   6.089
 1580   1HG   ARG  96          HG2       ARG  96   6.275  15.739   4.594
 1581   2HG   ARG  96          HG1       ARG  96   6.562  15.809   6.333
 1582   1HD   ARG  96          HD2       ARG  96   5.213  17.880   6.434
 1583   2HD   ARG  96          HD1       ARG  96   4.870  17.709   4.714
 1584    HE   ARG  96           HE       ARG  96   4.061  15.342   5.760
 1585   1HH1  ARG  96          HH11      ARG  96   3.370  18.673   6.509
 1586   2HH1  ARG  96          HH12      ARG  96   1.766  18.348   7.075
 1587   1HH2  ARG  96          HH21      ARG  96   1.951  14.904   6.501
 1588   2HH2  ARG  96          HH22      ARG  96   0.958  16.205   7.071
 1589    H    LYS  97           HN       LYS  97   9.487  18.146   2.539
 1590    HA   LYS  97           HA       LYS  97  10.751  20.438   3.744
 1591   1HB   LYS  97          HB2       LYS  97  12.115  19.248   1.449
 1592   2HB   LYS  97          HB1       LYS  97  12.725  19.577   3.062
 1593   1HG   LYS  97          HG2       LYS  97  11.128  17.172   2.201
 1594   2HG   LYS  97          HG1       LYS  97  12.850  17.217   2.586
 1595   1HD   LYS  97          HD2       LYS  97  12.478  17.412   4.847
 1596   2HD   LYS  97          HD1       LYS  97  10.878  18.124   4.635
 1597   1HE   LYS  97          HE2       LYS  97   9.939  16.018   4.016
 1598   2HE   LYS  97          HE1       LYS  97  11.537  15.270   3.937
 1599   1HZ   LYS  97          HZ1       LYS  97  11.764  15.651   6.335
 1600   2HZ   LYS  97          HZ2       LYS  97  10.443  14.658   5.977
 1601   3HZ   LYS  97          HZ3       LYS  97  10.194  16.279   6.388
 1602    H    LYS  98           HN       LYS  98   9.289  22.029   3.006
 1603    HA   LYS  98           HA       LYS  98   9.456  22.598   0.125
 1604   1HB   LYS  98          HB2       LYS  98   7.363  23.239   2.188
 1605   2HB   LYS  98          HB1       LYS  98   7.442  24.110   0.663
 1606   1HG   LYS  98          HG2       LYS  98   7.430  21.148   0.525
 1607   2HG   LYS  98          HG1       LYS  98   5.932  21.952   1.007
 1608   1HD   LYS  98          HD2       LYS  98   5.981  21.613  -1.400
 1609   2HD   LYS  98          HD1       LYS  98   6.038  23.336  -1.020
 1610   1HE   LYS  98          HE2       LYS  98   8.451  23.340  -1.363
 1611   2HE   LYS  98          HE1       LYS  98   8.416  21.612  -1.705
 1612   1HZ   LYS  98          HZ1       LYS  98   7.052  23.714  -3.301
 1613   2HZ   LYS  98          HZ2       LYS  98   7.036  22.057  -3.635
 1614   3HZ   LYS  98          HZ3       LYS  98   8.485  22.924  -3.733
  Start of MODEL    2
    1   1H    MET   1          HT1       MET   1 -18.262   3.697  -3.767
    2   2H    MET   1          HT2       MET   1 -19.411   4.417  -2.761
    3   3H    MET   1          HT3       MET   1 -17.981   3.795  -2.101
    4    HA   MET   1           HA       MET   1 -18.336   6.189  -3.788
    5   1HB   MET   1          HB2       MET   1 -17.517   5.650  -0.966
    6   2HB   MET   1          HB1       MET   1 -16.667   6.914  -1.826
    7   1HG   MET   1          HG2       MET   1 -18.728   7.601  -0.452
    8   2HG   MET   1          HG1       MET   1 -18.521   8.256  -2.068
    9   1HE   MET   1          HE1       MET   1 -22.275   8.133  -2.313
   10   2HE   MET   1          HE2       MET   1 -20.842   9.085  -1.924
   11   3HE   MET   1          HE3       MET   1 -21.688   8.202  -0.654
   12    H    ALA   2           HN       ALA   2 -16.082   7.409  -3.686
   13    HA   ALA   2           HA       ALA   2 -14.150   5.507  -4.787
   14   1HB   ALA   2          HB1       ALA   2 -13.231   7.446  -6.058
   15   2HB   ALA   2          HB2       ALA   2 -14.594   8.400  -5.473
   16   3HB   ALA   2          HB3       ALA   2 -14.876   6.997  -6.502
   17    H    ALA   3           HN       ALA   3 -11.901   6.013  -4.558
   18    HA   ALA   3           HA       ALA   3 -11.328   6.971  -1.883
   19   1HB   ALA   3          HB1       ALA   3  -9.552   5.713  -3.965
   20   2HB   ALA   3          HB2       ALA   3 -10.305   4.891  -2.599
   21   3HB   ALA   3          HB3       ALA   3  -9.064   6.112  -2.319
   22    H    GLU   4           HN       GLU   4 -11.818   9.178  -2.301
   23    HA   GLU   4           HA       GLU   4 -10.463  10.698  -4.269
   24   1HB   GLU   4          HB2       GLU   4 -11.003  12.521  -2.238
   25   2HB   GLU   4          HB1       GLU   4 -12.008  12.175  -3.632
   26   1HG   GLU   4          HG2       GLU   4 -13.318  12.136  -1.612
   27   2HG   GLU   4          HG1       GLU   4 -13.257  10.530  -2.335
   28    H    THR   5           HN       THR   5  -9.993  11.585  -0.881
   29    HA   THR   5           HA       THR   5  -7.208  11.917  -1.358
   30    HB   THR   5           HB       THR   5  -8.162  11.863   1.431
   31    HG1  THR   5           HG1      THR   5  -9.952  12.847   0.581
   32   1HG2  THR   5          HG21      THR   5  -5.945  12.709   0.137
   33   2HG2  THR   5          HG22      THR   5  -6.481  13.335   1.700
   34   3HG2  THR   5          HG23      THR   5  -6.871  14.214   0.217
   35    H    LEU   6           HN       LEU   6  -6.108  11.086   1.108
   36    HA   LEU   6           HA       LEU   6  -5.426   8.422   0.622
   37   1HB   LEU   6          HB2       LEU   6  -4.096   8.554   2.604
   38   2HB   LEU   6          HB1       LEU   6  -3.984  10.109   1.789
   39    HG   LEU   6           HG       LEU   6  -5.548   9.447   4.276
   40   1HD1  LEU   6          HD11      LEU   6  -3.914  10.370   5.460
   41   2HD1  LEU   6          HD12      LEU   6  -3.668  11.665   4.290
   42   3HD1  LEU   6          HD13      LEU   6  -2.929  10.085   4.024
   43   1HD2  LEU   6          HD21      LEU   6  -6.889  10.991   3.007
   44   2HD2  LEU   6          HD22      LEU   6  -5.488  12.027   2.737
   45   3HD2  LEU   6          HD23      LEU   6  -6.141  11.835   4.363
   46    H    THR   7           HN       THR   7  -6.765   6.757   0.894
   47    HA   THR   7           HA       THR   7  -9.022   6.787   2.539
   48    HB   THR   7           HB       THR   7  -8.384   4.115   2.463
   49    HG1  THR   7           HG1      THR   7  -6.490   4.641   1.216
   50   1HG2  THR   7          HG21      THR   7  -9.682   5.564   0.164
   51   2HG2  THR   7          HG22      THR   7 -10.485   5.275   1.707
   52   3HG2  THR   7          HG23      THR   7  -9.977   3.912   0.711
   53    H    GLU   8           HN       GLU   8  -9.327   5.300   4.467
   54    HA   GLU   8           HA       GLU   8  -7.908   6.081   6.630
   55   1HB   GLU   8          HB2       GLU   8  -8.907   3.257   6.380
   56   2HB   GLU   8          HB1       GLU   8  -8.693   4.203   7.843
   57   1HG   GLU   8          HG2       GLU   8 -10.710   4.744   5.676
   58   2HG   GLU   8          HG1       GLU   8 -11.042   4.034   7.253
   59    H    LEU   9           HN       LEU   9  -6.879   3.761   4.277
   60    HA   LEU   9           HA       LEU   9  -4.927   2.311   5.534
   61   1HB   LEU   9          HB2       LEU   9  -4.503   3.577   2.862
   62   2HB   LEU   9          HB1       LEU   9  -4.001   1.982   3.388
   63    HG   LEU   9           HG       LEU   9  -6.707   2.936   2.526
   64   1HD1  LEU   9          HD11      LEU   9  -5.017   1.991   0.932
   65   2HD1  LEU   9          HD12      LEU   9  -6.599   1.221   0.939
   66   3HD1  LEU   9          HD13      LEU   9  -5.238   0.443   1.742
   67   1HD2  LEU   9          HD21      LEU   9  -7.013   0.289   3.279
   68   2HD2  LEU   9          HD22      LEU   9  -7.689   1.707   4.069
   69   3HD2  LEU   9          HD23      LEU   9  -6.157   1.041   4.623
   70    H    GLU  10           HN       GLU  10  -4.993   5.673   4.718
   71    HA   GLU  10           HA       GLU  10  -2.399   6.521   4.733
   72   1HB   GLU  10          HB2       GLU  10  -3.401   8.519   6.082
   73   2HB   GLU  10          HB1       GLU  10  -3.948   8.190   4.448
   74   1HG   GLU  10          HG2       GLU  10  -6.034   7.969   5.134
   75   2HG   GLU  10          HG1       GLU  10  -5.571   6.720   6.262
   76    H    ALA  11           HN       ALA  11  -4.475   5.983   7.521
   77    HA   ALA  11           HA       ALA  11  -2.663   6.463   9.570
   78   1HB   ALA  11          HB1       ALA  11  -5.243   5.540   9.454
   79   2HB   ALA  11          HB2       ALA  11  -4.286   5.698  10.922
   80   3HB   ALA  11          HB3       ALA  11  -4.372   4.147  10.090
   81    H    ALA  12           HN       ALA  12  -3.103   3.611   7.574
   82    HA   ALA  12           HA       ALA  12  -1.274   1.954   8.972
   83   1HB   ALA  12          HB1       ALA  12  -1.995   1.730   6.057
   84   2HB   ALA  12          HB2       ALA  12  -3.043   1.169   7.359
   85   3HB   ALA  12          HB3       ALA  12  -1.447   0.451   7.139
   86    H    ILE  13           HN       ILE  13  -0.944   4.509   6.668
   87    HA   ILE  13           HA       ILE  13   1.481   3.985   5.505
   88    HB   ILE  13           HB       ILE  13  -0.163   6.046   5.296
   89   1HG1  ILE  13          HG12      ILE  13   1.635   5.440   3.742
   90   2HG1  ILE  13          HG11      ILE  13   1.524   7.182   3.963
   91   1HG2  ILE  13          HG21      ILE  13   2.074   7.384   6.790
   92   2HG2  ILE  13          HG22      ILE  13   0.576   6.909   7.587
   93   3HG2  ILE  13          HG23      ILE  13   0.538   8.069   6.259
   94   1HD1  ILE  13          HD11      ILE  13   3.395   6.963   5.633
   95   2HD1  ILE  13          HD12      ILE  13   3.812   6.646   3.950
   96   3HD1  ILE  13          HD13      ILE  13   3.582   5.303   5.068
   97    H    GLU  14           HN       GLU  14   0.719   4.971   8.738
   98    HA   GLU  14           HA       GLU  14   3.239   5.837   9.615
   99   1HB   GLU  14          HB2       GLU  14   1.001   4.552  11.187
  100   2HB   GLU  14          HB1       GLU  14   2.365   5.412  11.885
  101   1HG   GLU  14          HG2       GLU  14   1.647   7.461  10.773
  102   2HG   GLU  14          HG1       GLU  14   0.280   6.599  10.068
  103    H    THR  15           HN       THR  15   1.780   2.601   9.475
  104    HA   THR  15           HA       THR  15   3.928   1.366  10.930
  105    HB   THR  15           HB       THR  15   1.978   0.054   9.022
  106    HG1  THR  15           HG1      THR  15   0.883  -0.477  11.025
  107   1HG2  THR  15          HG21      THR  15   2.507  -1.962  10.457
  108   2HG2  THR  15          HG22      THR  15   3.853  -1.032  11.116
  109   3HG2  THR  15          HG23      THR  15   3.806  -1.417   9.396
  110    H    VAL  16           HN       VAL  16   2.980   1.215   7.523
  111    HA   VAL  16           HA       VAL  16   5.230  -0.062   6.526
  112    HB   VAL  16           HB       VAL  16   3.219   0.119   5.236
  113   1HG1  VAL  16          HG11      VAL  16   2.388   2.237   5.993
  114   2HG1  VAL  16          HG12      VAL  16   2.544   2.293   4.239
  115   3HG1  VAL  16          HG13      VAL  16   3.744   3.088   5.255
  116   1HG2  VAL  16          HG21      VAL  16   4.465   1.617   3.245
  117   2HG2  VAL  16          HG22      VAL  16   4.589  -0.118   3.492
  118   3HG2  VAL  16          HG23      VAL  16   5.794   0.951   4.191
  119    H    VAL  17           HN       VAL  17   4.737   3.342   7.255
  120    HA   VAL  17           HA       VAL  17   7.100   4.183   5.847
  121    HB   VAL  17           HB       VAL  17   5.106   5.658   6.222
  122   1HG1  VAL  17          HG11      VAL  17   4.877   5.031   8.662
  123   2HG1  VAL  17          HG12      VAL  17   4.730   6.744   8.285
  124   3HG1  VAL  17          HG13      VAL  17   6.229   6.117   8.973
  125   1HG2  VAL  17          HG21      VAL  17   7.187   6.585   5.454
  126   2HG2  VAL  17          HG22      VAL  17   7.806   6.656   7.104
  127   3HG2  VAL  17          HG23      VAL  17   6.461   7.689   6.622
  128    H    SER  18           HN       SER  18   6.144   3.642   9.210
  129    HA   SER  18           HA       SER  18   8.741   4.327  10.253
  130   1HB   SER  18          HB2       SER  18   6.746   4.843  11.560
  131   2HB   SER  18          HB1       SER  18   6.316   3.134  11.611
  132    HG   SER  18           HG       SER  18   7.595   2.937  13.252
  133    H    THR  19           HN       THR  19   7.494   1.561   8.821
  134    HA   THR  19           HA       THR  19   9.057  -0.265  10.432
  135    HB   THR  19           HB       THR  19   8.249  -1.993   8.703
  136    HG1  THR  19           HG1      THR  19   7.267   0.210   7.550
  137   1HG2  THR  19          HG21      THR  19   6.356  -0.527  10.536
  138   2HG2  THR  19          HG22      THR  19   7.345  -1.935  10.919
  139   3HG2  THR  19          HG23      THR  19   6.000  -2.083   9.789
  140    H    PHE  20           HN       PHE  20   8.913  -0.545   6.976
  141    HA   PHE  20           HA       PHE  20  11.718  -1.157   6.779
  142   1HB   PHE  20          HB2       PHE  20  10.490  -2.608   5.450
  143   2HB   PHE  20          HB1       PHE  20   9.285  -1.381   5.068
  144    HD1  PHE  20           HD1      PHE  20  12.989  -1.476   4.529
  145    HD2  PHE  20           HD2      PHE  20   9.112  -1.267   2.784
  146    HE1  PHE  20           HE1      PHE  20  14.008  -1.178   2.315
  147    HE2  PHE  20           HE2      PHE  20  10.124  -0.959   0.570
  148    HZ   PHE  20           HZ       PHE  20  12.569  -0.917   0.330
  149    H    PHE  21           HN       PHE  21   9.499   1.354   6.007
  150    HA   PHE  21           HA       PHE  21  11.220   2.680   4.243
  151   1HB   PHE  21          HB2       PHE  21   8.755   3.536   5.719
  152   2HB   PHE  21          HB1       PHE  21   9.550   4.568   4.544
  153    HD1  PHE  21           HD1      PHE  21   6.826   4.093   3.946
  154    HD2  PHE  21           HD2      PHE  21  10.136   1.510   3.207
  155    HE1  PHE  21           HE1      PHE  21   5.535   2.947   2.229
  156    HE2  PHE  21           HE2      PHE  21   8.835   0.382   1.451
  157    HZ   PHE  21           HZ       PHE  21   6.535   1.095   0.959
  158    H    THR  22           HN       THR  22  11.413   2.234   7.520
  159    HA   THR  22           HA       THR  22  12.429   4.775   8.275
  160    HB   THR  22           HB       THR  22  13.386   3.670  10.186
  161    HG1  THR  22           HG1      THR  22  14.189   1.881   8.909
  162   1HG2  THR  22          HG21      THR  22  11.425   2.478  11.023
  163   2HG2  THR  22          HG22      THR  22  10.783   2.406   9.379
  164   3HG2  THR  22          HG23      THR  22  10.975   3.963  10.186
  165    H    PHE  23           HN       PHE  23  13.669   2.474   6.096
  166    HA   PHE  23           HA       PHE  23  16.434   2.899   6.763
  167   1HB   PHE  23          HB2       PHE  23  16.895   1.134   5.458
  168   2HB   PHE  23          HB1       PHE  23  15.166   0.868   5.553
  169    HD1  PHE  23           HD1      PHE  23  13.939   0.648   3.633
  170    HD2  PHE  23           HD2      PHE  23  17.771   2.475   3.442
  171    HE1  PHE  23           HE1      PHE  23  13.823   0.648   1.186
  172    HE2  PHE  23           HE2      PHE  23  17.666   2.464   1.022
  173    HZ   PHE  23           HZ       PHE  23  15.679   1.532  -0.123
  174    H    ALA  24           HN       ALA  24  14.238   4.823   5.100
  175    HA   ALA  24           HA       ALA  24  15.689   6.033   3.077
  176   1HB   ALA  24          HB1       ALA  24  13.324   6.573   4.149
  177   2HB   ALA  24          HB2       ALA  24  14.212   7.801   3.260
  178   3HB   ALA  24          HB3       ALA  24  14.249   7.784   5.021
  179    H    GLY  25           HN       GLY  25  15.656   6.674   6.520
  180   1HA   GLY  25          HA2       GLY  25  17.318   8.734   6.946
  181   2HA   GLY  25          HA1       GLY  25  17.361   7.272   7.943
  182    H    ARG  26           HN       ARG  26  18.284   5.598   5.772
  183    HA   ARG  26           HA       ARG  26  20.953   5.454   6.132
  184   1HB   ARG  26          HB2       ARG  26  19.679   3.781   4.931
  185   2HB   ARG  26          HB1       ARG  26  19.415   4.890   3.594
  186   1HG   ARG  26          HG2       ARG  26  21.118   3.369   2.958
  187   2HG   ARG  26          HG1       ARG  26  21.890   4.928   3.248
  188   1HD   ARG  26          HD2       ARG  26  22.513   4.149   5.507
  189   2HD   ARG  26          HD1       ARG  26  21.805   2.580   5.127
  190    HE   ARG  26           HE       ARG  26  23.744   3.300   3.192
  191   1HH1  ARG  26          HH11      ARG  26  23.405   2.138   6.456
  192   2HH1  ARG  26          HH12      ARG  26  24.938   1.331   6.466
  193   1HH2  ARG  26          HH21      ARG  26  25.765   2.240   3.192
  194   2HH2  ARG  26          HH22      ARG  26  26.280   1.387   4.609
  195    H    GLU  27           HN       GLU  27  19.301   7.511   3.773
  196    HA   GLU  27           HA       GLU  27  21.826   8.509   2.744
  197   1HB   GLU  27          HB2       GLU  27  18.986   9.312   2.083
  198   2HB   GLU  27          HB1       GLU  27  20.426   9.851   1.229
  199   1HG   GLU  27          HG2       GLU  27  19.381   7.034   1.387
  200   2HG   GLU  27          HG1       GLU  27  19.331   8.104  -0.013
  201    H    GLY  28           HN       GLY  28  22.535  10.645   2.904
  202   1HA   GLY  28          HA2       GLY  28  22.370  11.852   5.381
  203   2HA   GLY  28          HA1       GLY  28  22.889  12.671   3.920
  204    H    ARG  29           HN       ARG  29  21.597  14.153   2.992
  205    HA   ARG  29           HA       ARG  29  19.810  15.602   4.397
  206   1HB   ARG  29          HB2       ARG  29  20.754  16.259   2.209
  207   2HB   ARG  29          HB1       ARG  29  19.658  15.136   1.416
  208   1HG   ARG  29          HG2       ARG  29  17.746  16.417   2.174
  209   2HG   ARG  29          HG1       ARG  29  18.808  17.513   3.062
  210   1HD   ARG  29          HD2       ARG  29  18.707  17.107   0.076
  211   2HD   ARG  29          HD1       ARG  29  18.153  18.524   0.969
  212    HE   ARG  29           HE       ARG  29  20.822  18.186   1.606
  213   1HH1  ARG  29          HH11      ARG  29  18.919  18.805  -1.243
  214   2HH1  ARG  29          HH12      ARG  29  20.176  19.682  -2.050
  215   1HH2  ARG  29          HH21      ARG  29  22.484  19.336   0.553
  216   2HH2  ARG  29          HH22      ARG  29  22.204  19.982  -1.029
  217    H    LYS  30           HN       LYS  30  17.454  15.957   4.044
  218    HA   LYS  30           HA       LYS  30  16.066  13.380   4.173
  219   1HB   LYS  30          HB2       LYS  30  14.814  16.040   4.799
  220   2HB   LYS  30          HB1       LYS  30  14.383  14.449   5.407
  221   1HG   LYS  30          HG2       LYS  30  16.960  15.833   6.101
  222   2HG   LYS  30          HG1       LYS  30  15.481  15.993   7.050
  223   1HD   LYS  30          HD2       LYS  30  16.554  14.284   8.161
  224   2HD   LYS  30          HD1       LYS  30  15.533  13.382   7.041
  225   1HE   LYS  30          HE2       LYS  30  17.394  13.074   5.532
  226   2HE   LYS  30          HE1       LYS  30  18.421  14.092   6.540
  227   1HZ   LYS  30          HZ1       LYS  30  18.183  12.459   8.326
  228   2HZ   LYS  30          HZ2       LYS  30  18.875  11.772   6.944
  229   3HZ   LYS  30          HZ3       LYS  30  17.252  11.473   7.314
  230    H    GLY  31           HN       GLY  31  16.454  13.400   1.738
  231   1HA   GLY  31          HA2       GLY  31  14.190  14.773   0.376
  232   2HA   GLY  31          HA1       GLY  31  15.727  14.405  -0.412
  233    H    SER  32           HN       SER  32  16.291  11.929  -0.268
  234    HA   SER  32           HA       SER  32  13.831  10.419  -0.390
  235   1HB   SER  32          HB2       SER  32  14.202   9.516  -2.489
  236   2HB   SER  32          HB1       SER  32  14.597  11.217  -2.689
  237    HG   SER  32           HG       SER  32  16.682  10.751  -2.862
  238    H    LEU  33           HN       LEU  33  14.138   8.133  -0.530
  239    HA   LEU  33           HA       LEU  33  16.352   7.225   1.086
  240   1HB   LEU  33          HB2       LEU  33  14.275   6.466   1.889
  241   2HB   LEU  33          HB1       LEU  33  13.686   6.169   0.294
  242    HG   LEU  33           HG       LEU  33  15.955   4.493   1.083
  243   1HD1  LEU  33          HD11      LEU  33  15.095   3.657   2.932
  244   2HD1  LEU  33          HD12      LEU  33  13.574   3.312   2.123
  245   3HD1  LEU  33          HD13      LEU  33  13.845   4.877   2.889
  246   1HD2  LEU  33          HD21      LEU  33  13.526   3.232   0.146
  247   2HD2  LEU  33          HD22      LEU  33  15.114   3.275  -0.598
  248   3HD2  LEU  33          HD23      LEU  33  13.991   4.580  -0.883
  249    H    ASN  34           HN       ASN  34  17.582   5.306   0.303
  250    HA   ASN  34           HA       ASN  34  17.407   5.230  -2.631
  251   1HB   ASN  34          HB2       ASN  34  19.799   5.335  -0.802
  252   2HB   ASN  34          HB1       ASN  34  19.962   4.757  -2.460
  253   1HD2  ASN  34          HD21      ASN  34  21.263   6.435  -3.113
  254   2HD2  ASN  34          HD22      ASN  34  20.689   8.056  -3.288
  255    H    ILE  35           HN       ILE  35  19.219   3.172  -3.097
  256    HA   ILE  35           HA       ILE  35  17.730   0.967  -1.979
  257    HB   ILE  35           HB       ILE  35  18.864  -0.312  -3.903
  258   1HG1  ILE  35          HG12      ILE  35  19.660   1.000  -5.753
  259   2HG1  ILE  35          HG11      ILE  35  19.154   2.497  -4.987
  260   1HG2  ILE  35          HG21      ILE  35  16.633   1.606  -3.933
  261   2HG2  ILE  35          HG22      ILE  35  16.660  -0.111  -4.340
  262   3HG2  ILE  35          HG23      ILE  35  17.213   1.085  -5.510
  263   1HD1  ILE  35          HD11      ILE  35  21.566   2.216  -4.905
  264   2HD1  ILE  35          HD12      ILE  35  21.368   0.702  -4.025
  265   3HD1  ILE  35          HD13      ILE  35  20.869   2.222  -3.286
  266    H    ASN  36           HN       ASN  36  19.779   2.216  -0.477
  267    HA   ASN  36           HA       ASN  36  22.057   0.454  -0.540
  268   1HB   ASN  36          HB2       ASN  36  21.256   2.793   1.163
  269   2HB   ASN  36          HB1       ASN  36  22.612   1.769   1.623
  270   1HD2  ASN  36          HD21      ASN  36  24.462   1.753   0.339
  271   2HD2  ASN  36          HD22      ASN  36  24.787   3.000  -0.811
  272    H    GLU  37           HN       GLU  37  19.688   1.274   2.031
  273    HA   GLU  37           HA       GLU  37  20.306  -1.239   3.277
  274   1HB   GLU  37          HB2       GLU  37  17.946   0.372   4.065
  275   2HB   GLU  37          HB1       GLU  37  18.954  -0.656   5.048
  276   1HG   GLU  37          HG2       GLU  37  20.815   0.972   4.586
  277   2HG   GLU  37          HG1       GLU  37  19.566   2.083   4.009
  278    H    PHE  38           HN       PHE  38  18.059  -0.130   0.847
  279    HA   PHE  38           HA       PHE  38  16.000  -1.943   1.164
  280   1HB   PHE  38          HB2       PHE  38  16.375  -0.153  -0.665
  281   2HB   PHE  38          HB1       PHE  38  17.299  -1.384  -1.510
  282    HD1  PHE  38           HD1      PHE  38  15.932  -3.746  -1.548
  283    HD2  PHE  38           HD2      PHE  38  14.256   0.154  -1.404
  284    HE1  PHE  38           HE1      PHE  38  13.853  -4.612  -2.538
  285    HE2  PHE  38           HE2      PHE  38  12.168  -0.699  -2.393
  286    HZ   PHE  38           HZ       PHE  38  11.966  -3.087  -2.962
  287    H    LYS  39           HN       LYS  39  19.318  -2.325   0.221
  288    HA   LYS  39           HA       LYS  39  19.224  -4.863  -0.862
  289   1HB   LYS  39          HB2       LYS  39  21.484  -3.559   0.584
  290   2HB   LYS  39          HB1       LYS  39  21.616  -4.953  -0.482
  291   1HG   LYS  39          HG2       LYS  39  21.117  -3.719  -2.372
  292   2HG   LYS  39          HG1       LYS  39  20.417  -2.420  -1.406
  293   1HD   LYS  39          HD2       LYS  39  22.492  -1.615  -0.762
  294   2HD   LYS  39          HD1       LYS  39  23.263  -3.154  -1.122
  295   1HE   LYS  39          HE2       LYS  39  22.170  -1.224  -3.162
  296   2HE   LYS  39          HE1       LYS  39  23.873  -1.417  -2.754
  297   1HZ   LYS  39          HZ1       LYS  39  22.103  -3.434  -4.021
  298   2HZ   LYS  39          HZ2       LYS  39  23.669  -3.766  -3.477
  299   3HZ   LYS  39          HZ3       LYS  39  23.427  -2.650  -4.725
  300    H    GLU  40           HN       GLU  40  18.852  -3.851   2.240
  301    HA   GLU  40           HA       GLU  40  19.553  -6.358   3.467
  302   1HB   GLU  40          HB2       GLU  40  19.098  -5.360   5.518
  303   2HB   GLU  40          HB1       GLU  40  19.589  -3.973   4.552
  304   1HG   GLU  40          HG2       GLU  40  17.667  -2.966   4.960
  305   2HG   GLU  40          HG1       GLU  40  16.766  -4.335   4.307
  306    H    LEU  41           HN       LEU  41  17.030  -5.273   1.563
  307    HA   LEU  41           HA       LEU  41  14.836  -6.495   2.875
  308   1HB   LEU  41          HB2       LEU  41  15.139  -5.576   0.025
  309   2HB   LEU  41          HB1       LEU  41  13.639  -6.136   0.731
  310    HG   LEU  41           HG       LEU  41  14.985  -3.536   0.953
  311   1HD1  LEU  41          HD11      LEU  41  12.442  -4.633   0.319
  312   2HD1  LEU  41          HD12      LEU  41  13.027  -2.982   0.116
  313   3HD1  LEU  41          HD13      LEU  41  12.257  -3.466   1.627
  314   1HD2  LEU  41          HD21      LEU  41  14.336  -2.990   3.147
  315   2HD2  LEU  41          HD22      LEU  41  15.127  -4.550   3.306
  316   3HD2  LEU  41          HD23      LEU  41  13.368  -4.451   3.320
  317    H    ALA  42           HN       ALA  42  15.408  -7.364  -0.502
  318    HA   ALA  42           HA       ALA  42  14.482  -9.854  -0.468
  319   1HB   ALA  42          HB1       ALA  42  16.240 -10.418  -2.192
  320   2HB   ALA  42          HB2       ALA  42  16.810  -8.772  -1.942
  321   3HB   ALA  42          HB3       ALA  42  15.171  -9.056  -2.511
  322    H    THR  43           HN       THR  43  17.569  -8.878   0.781
  323    HA   THR  43           HA       THR  43  18.839 -11.321   1.038
  324    HB   THR  43           HB       THR  43  19.885  -9.951   3.057
  325    HG1  THR  43           HG1      THR  43  19.047  -7.735   1.546
  326   1HG2  THR  43          HG21      THR  43  21.361  -8.805   1.449
  327   2HG2  THR  43          HG22      THR  43  20.222  -9.190   0.160
  328   3HG2  THR  43          HG23      THR  43  21.075 -10.485   0.998
  329    H    GLN  44           HN       GLN  44  17.294  -9.451   3.642
  330    HA   GLN  44           HA       GLN  44  17.058 -11.724   5.322
  331   1HB   GLN  44          HB2       GLN  44  16.171  -8.848   5.547
  332   2HB   GLN  44          HB1       GLN  44  15.817 -10.046   6.796
  333   1HG   GLN  44          HG2       GLN  44  18.226 -10.431   7.078
  334   2HG   GLN  44          HG1       GLN  44  18.550  -9.198   5.860
  335   1HE2  GLN  44          HE21      GLN  44  19.681  -7.895   7.276
  336   2HE2  GLN  44          HE22      GLN  44  18.910  -7.008   8.542
  337    H    GLN  45           HN       GLN  45  15.018  -9.887   3.233
  338    HA   GLN  45           HA       GLN  45  12.532 -10.976   4.076
  339   1HB   GLN  45          HB2       GLN  45  13.333  -9.674   1.478
  340   2HB   GLN  45          HB1       GLN  45  11.680 -10.022   1.966
  341   1HG   GLN  45          HG2       GLN  45  12.443  -8.592   4.075
  342   2HG   GLN  45          HG1       GLN  45  13.523  -7.907   2.869
  343   1HE2  GLN  45          HE21      GLN  45  11.495  -8.489   0.729
  344   2HE2  GLN  45          HE22      GLN  45  10.291  -7.277   0.909
  345    H    LEU  46           HN       LEU  46  15.078 -12.044   1.998
  346    HA   LEU  46           HA       LEU  46  14.026 -13.696   0.180
  347   1HB   LEU  46          HB2       LEU  46  16.446 -13.843   1.827
  348   2HB   LEU  46          HB1       LEU  46  15.872 -15.417   1.327
  349    HG   LEU  46           HG       LEU  46  16.961 -13.197  -0.369
  350   1HD1  LEU  46          HD11      LEU  46  18.492 -14.876   0.409
  351   2HD1  LEU  46          HD12      LEU  46  18.233 -15.067  -1.325
  352   3HD1  LEU  46          HD13      LEU  46  17.440 -16.159  -0.190
  353   1HD2  LEU  46          HD21      LEU  46  15.098 -15.384  -1.267
  354   2HD2  LEU  46          HD22      LEU  46  16.200 -14.539  -2.353
  355   3HD2  LEU  46          HD23      LEU  46  14.932 -13.646  -1.515
  356    HA   PRO  47           HA       PRO  47  12.651 -17.120   2.966
  357   1HB   PRO  47          HB2       PRO  47  13.427 -17.384   5.525
  358   2HB   PRO  47          HB1       PRO  47  14.437 -17.954   4.193
  359   1HG   PRO  47          HG2       PRO  47  14.677 -15.469   5.836
  360   2HG   PRO  47          HG1       PRO  47  15.954 -16.539   5.227
  361   1HD   PRO  47          HD2       PRO  47  15.238 -14.142   4.056
  362   2HD   PRO  47          HD1       PRO  47  16.032 -15.484   3.208
  363    H    HIS  48           HN       HIS  48  10.885 -15.751   2.735
  364    HA   HIS  48           HA       HIS  48   9.867 -14.379   5.090
  365   1HB   HIS  48          HB2       HIS  48   9.534 -14.092   2.227
  366   2HB   HIS  48          HB1       HIS  48   7.972 -14.219   3.017
  367    HD1  HIS  48           HD1      HIS  48  10.354 -11.776   2.062
  368    HD2  HIS  48           HD2      HIS  48   7.932 -12.320   5.393
  369    HE1  HIS  48           HE1      HIS  48  10.206  -9.521   3.164
  370    HE2  HIS  48           HE2      HIS  48   8.737  -9.872   5.177
  371    H    LEU  49           HN       LEU  49   7.108 -14.769   4.570
  372    HA   LEU  49           HA       LEU  49   6.732 -17.446   5.557
  373   1HB   LEU  49          HB2       LEU  49   4.783 -15.262   4.778
  374   2HB   LEU  49          HB1       LEU  49   4.283 -16.823   5.398
  375    HG   LEU  49           HG       LEU  49   5.931 -14.771   6.877
  376   1HD1  LEU  49          HD11      LEU  49   3.587 -14.139   6.635
  377   2HD1  LEU  49          HD12      LEU  49   3.964 -14.563   8.305
  378   3HD1  LEU  49          HD13      LEU  49   3.092 -15.705   7.281
  379   1HD2  LEU  49          HD21      LEU  49   4.905 -17.470   7.748
  380   2HD2  LEU  49          HD22      LEU  49   5.660 -16.276   8.803
  381   3HD2  LEU  49          HD23      LEU  49   6.592 -17.018   7.502
  382    H    LEU  50           HN       LEU  50   4.779 -15.955   2.997
  383    HA   LEU  50           HA       LEU  50   5.080 -18.335   1.360
  384   1HB   LEU  50          HB2       LEU  50   3.288 -17.564   0.065
  385   2HB   LEU  50          HB1       LEU  50   2.877 -17.103   1.702
  386    HG   LEU  50           HG       LEU  50   3.710 -15.341  -0.584
  387   1HD1  LEU  50          HD11      LEU  50   1.415 -15.585  -0.564
  388   2HD1  LEU  50          HD12      LEU  50   1.660 -14.110   0.374
  389   3HD1  LEU  50          HD13      LEU  50   1.332 -15.633   1.196
  390   1HD2  LEU  50          HD21      LEU  50   3.525 -14.471   2.294
  391   2HD2  LEU  50          HD22      LEU  50   3.934 -13.475   0.899
  392   3HD2  LEU  50          HD23      LEU  50   5.043 -14.735   1.438
  393    H    LYS  51           HN       LYS  51   7.481 -17.387   1.553
  394    HA   LYS  51           HA       LYS  51   8.520 -15.311   0.264
  395   1HB   LYS  51          HB2       LYS  51   9.913 -16.779   1.460
  396   2HB   LYS  51          HB1       LYS  51   9.535 -18.125   0.400
  397   1HG   LYS  51          HG2       LYS  51  10.731 -17.000  -1.425
  398   2HG   LYS  51          HG1       LYS  51  11.162 -15.678  -0.318
  399   1HD   LYS  51          HD2       LYS  51  12.167 -17.499   1.164
  400   2HD   LYS  51          HD1       LYS  51  11.990 -18.582  -0.210
  401   1HE   LYS  51          HE2       LYS  51  13.510 -17.332  -1.510
  402   2HE   LYS  51          HE1       LYS  51  13.482 -15.976  -0.383
  403   1HZ   LYS  51          HZ1       LYS  51  14.559 -17.397   1.262
  404   2HZ   LYS  51          HZ2       LYS  51  15.499 -17.261  -0.137
  405   3HZ   LYS  51          HZ3       LYS  51  14.610 -18.671   0.150
  406    H    ASP  52           HN       ASP  52   9.383 -14.807  -1.672
  407    HA   ASP  52           HA       ASP  52   8.176 -16.129  -4.009
  408   1HB   ASP  52          HB2       ASP  52   7.378 -13.845  -3.721
  409   2HB   ASP  52          HB1       ASP  52   9.033 -13.248  -3.642
  410    H    VAL  53           HN       VAL  53  11.107 -15.432  -2.438
  411    HA   VAL  53           HA       VAL  53  13.227 -16.036  -2.857
  412    HB   VAL  53           HB       VAL  53  12.111 -17.079  -5.424
  413   1HG1  VAL  53          HG11      VAL  53  14.203 -18.370  -5.617
  414   2HG1  VAL  53          HG12      VAL  53  14.835 -17.505  -4.216
  415   3HG1  VAL  53          HG13      VAL  53  14.476 -16.630  -5.705
  416   1HG2  VAL  53          HG21      VAL  53  12.266 -19.270  -4.378
  417   2HG2  VAL  53          HG22      VAL  53  11.228 -18.191  -3.446
  418   3HG2  VAL  53          HG23      VAL  53  12.872 -18.521  -2.902
  419    H    GLY  54           HN       GLY  54  13.535 -13.747  -2.824
  420   1HA   GLY  54          HA2       GLY  54  13.537 -12.026  -4.974
  421   2HA   GLY  54          HA1       GLY  54  14.667 -11.921  -3.628
  422    H    SER  55           HN       SER  55  14.226 -12.805  -6.921
  423    HA   SER  55           HA       SER  55  16.452 -14.404  -7.388
  424   1HB   SER  55          HB2       SER  55  14.604 -13.849  -9.020
  425   2HB   SER  55          HB1       SER  55  15.407 -12.303  -9.292
  426    HG   SER  55           HG       SER  55  16.463 -14.890  -9.771
  427    H    LEU  56           HN       LEU  56  18.594 -14.040  -7.549
  428    HA   LEU  56           HA       LEU  56  19.879 -11.961  -6.353
  429   1HB   LEU  56          HB2       LEU  56  20.746 -13.751  -8.599
  430   2HB   LEU  56          HB1       LEU  56  21.820 -12.516  -7.970
  431    HG   LEU  56           HG       LEU  56  21.637 -13.552  -5.719
  432   1HD1  LEU  56          HD11      LEU  56  20.726 -15.834  -5.562
  433   2HD1  LEU  56          HD12      LEU  56  20.108 -15.681  -7.207
  434   3HD1  LEU  56          HD13      LEU  56  19.488 -14.633  -5.930
  435   1HD2  LEU  56          HD21      LEU  56  23.525 -14.084  -7.124
  436   2HD2  LEU  56          HD22      LEU  56  22.595 -15.333  -7.954
  437   3HD2  LEU  56          HD23      LEU  56  23.014 -15.530  -6.252
  438    H    ASP  57           HN       ASP  57  19.241 -12.196  -9.848
  439    HA   ASP  57           HA       ASP  57  20.290  -9.663 -10.500
  440   1HB   ASP  57          HB2       ASP  57  18.656  -9.888 -12.493
  441   2HB   ASP  57          HB1       ASP  57  20.002 -11.022 -12.369
  442    H    GLU  58           HN       GLU  58  16.971 -10.742  -9.919
  443    HA   GLU  58           HA       GLU  58  15.594  -8.400 -10.353
  444   1HB   GLU  58          HB2       GLU  58  14.574 -10.624  -9.796
  445   2HB   GLU  58          HB1       GLU  58  15.020 -10.360  -8.113
  446   1HG   GLU  58          HG2       GLU  58  13.613  -8.366  -8.058
  447   2HG   GLU  58          HG1       GLU  58  13.152  -8.650  -9.737
  448    H    LYS  59           HN       LYS  59  17.278  -9.501  -7.469
  449    HA   LYS  59           HA       LYS  59  16.629  -7.319  -5.853
  450   1HB   LYS  59          HB2       LYS  59  19.072  -9.079  -5.716
  451   2HB   LYS  59          HB1       LYS  59  18.473  -8.050  -4.421
  452   1HG   LYS  59          HG2       LYS  59  16.606  -9.402  -4.043
  453   2HG   LYS  59          HG1       LYS  59  16.747 -10.185  -5.611
  454   1HD   LYS  59          HD2       LYS  59  17.435 -11.637  -3.729
  455   2HD   LYS  59          HD1       LYS  59  18.715 -11.377  -4.912
  456   1HE   LYS  59          HE2       LYS  59  19.551  -9.535  -3.387
  457   2HE   LYS  59          HE1       LYS  59  18.418 -10.151  -2.184
  458   1HZ   LYS  59          HZ1       LYS  59  20.604 -11.715  -3.446
  459   2HZ   LYS  59          HZ2       LYS  59  19.523 -12.292  -2.280
  460   3HZ   LYS  59          HZ3       LYS  59  20.629 -11.076  -1.879
  461    H    MET  60           HN       MET  60  18.976  -7.756  -8.338
  462    HA   MET  60           HA       MET  60  20.481  -5.425  -7.658
  463   1HB   MET  60          HB2       MET  60  20.539  -7.213 -10.083
  464   2HB   MET  60          HB1       MET  60  21.637  -5.862  -9.835
  465   1HG   MET  60          HG2       MET  60  22.497  -6.921  -7.816
  466   2HG   MET  60          HG1       MET  60  21.389  -8.273  -8.051
  467   1HE   MET  60          HE1       MET  60  24.790  -7.255 -11.003
  468   2HE   MET  60          HE2       MET  60  24.549  -6.378  -9.492
  469   3HE   MET  60          HE3       MET  60  23.346  -6.268 -10.775
  470    H    LYS  61           HN       LYS  61  18.058  -6.293 -10.061
  471    HA   LYS  61           HA       LYS  61  18.158  -3.793 -11.449
  472   1HB   LYS  61          HB2       LYS  61  15.591  -5.196 -11.593
  473   2HB   LYS  61          HB1       LYS  61  16.663  -4.689 -12.890
  474   1HG   LYS  61          HG2       LYS  61  16.858  -7.206 -11.258
  475   2HG   LYS  61          HG1       LYS  61  16.366  -7.068 -12.942
  476   1HD   LYS  61          HD2       LYS  61  19.104  -6.488 -11.814
  477   2HD   LYS  61          HD1       LYS  61  18.647  -7.835 -12.854
  478   1HE   LYS  61          HE2       LYS  61  18.077  -6.243 -14.637
  479   2HE   LYS  61          HE1       LYS  61  18.584  -4.913 -13.596
  480   1HZ   LYS  61          HZ1       LYS  61  20.333  -5.507 -15.133
  481   2HZ   LYS  61          HZ2       LYS  61  20.321  -7.108 -14.589
  482   3HZ   LYS  61          HZ3       LYS  61  20.816  -5.868 -13.552
  483    H    THR  62           HN       THR  62  15.899  -5.227  -9.167
  484    HA   THR  62           HA       THR  62  14.020  -3.292  -8.957
  485    HB   THR  62           HB       THR  62  15.159  -4.840  -6.630
  486    HG1  THR  62           HG1      THR  62  14.143  -5.840  -8.736
  487   1HG2  THR  62          HG21      THR  62  12.592  -3.323  -7.029
  488   2HG2  THR  62          HG22      THR  62  13.777  -3.142  -5.736
  489   3HG2  THR  62          HG23      THR  62  12.761  -4.582  -5.807
  490    H    LEU  63           HN       LEU  63  17.303  -3.112  -7.821
  491    HA   LEU  63           HA       LEU  63  17.149  -1.091  -5.946
  492   1HB   LEU  63          HB2       LEU  63  19.207  -1.878  -7.947
  493   2HB   LEU  63          HB1       LEU  63  19.422  -0.364  -7.097
  494    HG   LEU  63           HG       LEU  63  18.882  -2.216  -5.082
  495   1HD1  LEU  63          HD11      LEU  63  19.389  -3.844  -7.067
  496   2HD1  LEU  63          HD12      LEU  63  20.060  -4.141  -5.463
  497   3HD1  LEU  63          HD13      LEU  63  21.062  -3.410  -6.717
  498   1HD2  LEU  63          HD21      LEU  63  21.681  -1.930  -5.348
  499   2HD2  LEU  63          HD22      LEU  63  20.593  -1.050  -4.280
  500   3HD2  LEU  63          HD23      LEU  63  20.948  -0.422  -5.888
  501    H    ASP  64           HN       ASP  64  18.434  -0.254  -9.132
  502    HA   ASP  64           HA       ASP  64  17.677   2.407  -9.008
  503   1HB   ASP  64          HB2       ASP  64  19.277   1.911 -10.598
  504   2HB   ASP  64          HB1       ASP  64  18.336   0.603 -11.317
  505    H    VAL  65           HN       VAL  65  15.789  -0.388  -9.981
  506    HA   VAL  65           HA       VAL  65  13.667   0.914 -11.251
  507    HB   VAL  65           HB       VAL  65  13.544  -1.511  -9.428
  508   1HG1  VAL  65          HG11      VAL  65  11.522  -0.569 -11.461
  509   2HG1  VAL  65          HG12      VAL  65  11.356  -0.381  -9.716
  510   3HG1  VAL  65          HG13      VAL  65  11.401  -1.994 -10.427
  511   1HG2  VAL  65          HG21      VAL  65  13.489  -1.474 -12.434
  512   2HG2  VAL  65          HG22      VAL  65  13.768  -2.842 -11.353
  513   3HG2  VAL  65          HG23      VAL  65  14.994  -1.586 -11.523
  514    H    ASN  66           HN       ASN  66  13.412  -0.304  -7.911
  515    HA   ASN  66           HA       ASN  66  11.774   1.980  -7.194
  516   1HB   ASN  66          HB2       ASN  66  12.724  -0.001  -5.160
  517   2HB   ASN  66          HB1       ASN  66  11.191   0.860  -5.278
  518   1HD2  ASN  66          HD21      ASN  66  11.642  -1.951  -4.850
  519   2HD2  ASN  66          HD22      ASN  66  10.866  -2.782  -6.151
  520    H    GLN  67           HN       GLN  67  14.170   2.938  -7.903
  521    HA   GLN  67           HA       GLN  67  16.242   3.010  -6.078
  522   1HB   GLN  67          HB2       GLN  67  16.953   3.922  -8.010
  523   2HB   GLN  67          HB1       GLN  67  15.355   4.441  -8.485
  524   1HG   GLN  67          HG2       GLN  67  16.632   5.963  -6.411
  525   2HG   GLN  67          HG1       GLN  67  17.470   6.029  -7.921
  526   1HE2  GLN  67          HE21      GLN  67  14.053   5.651  -7.971
  527   2HE2  GLN  67          HE22      GLN  67  13.647   7.280  -8.306
  528    H    ASP  68           HN       ASP  68  13.586   5.188  -6.569
  529    HA   ASP  68           HA       ASP  68  14.057   6.589  -4.046
  530   1HB   ASP  68          HB2       ASP  68  12.348   7.193  -6.467
  531   2HB   ASP  68          HB1       ASP  68  12.150   8.053  -4.943
  532    H    SER  69           HN       SER  69  13.052   3.775  -4.260
  533    HA   SER  69           HA       SER  69  10.393   3.271  -4.210
  534   1HB   SER  69          HB2       SER  69  10.812   1.530  -2.517
  535   2HB   SER  69          HB1       SER  69  12.088   1.536  -3.731
  536    HG   SER  69           HG       SER  69  13.487   2.273  -2.293
  537    H    GLU  70           HN       GLU  70  12.372   4.712  -1.805
  538    HA   GLU  70           HA       GLU  70   9.975   5.775  -0.497
  539   1HB   GLU  70          HB2       GLU  70  10.858   4.210   1.093
  540   2HB   GLU  70          HB1       GLU  70  12.482   4.823   0.842
  541   1HG   GLU  70          HG2       GLU  70  11.998   6.886   1.852
  542   2HG   GLU  70          HG1       GLU  70  10.264   6.541   1.868
  543    H    LEU  71           HN       LEU  71  10.267   7.769   0.510
  544    HA   LEU  71           HA       LEU  71  12.638   9.176  -0.087
  545   1HB   LEU  71          HB2       LEU  71  11.275  11.009  -1.128
  546   2HB   LEU  71          HB1       LEU  71  11.640   9.572  -2.080
  547    HG   LEU  71           HG       LEU  71   9.310  10.365  -2.275
  548   1HD1  LEU  71          HD11      LEU  71   9.079   7.715  -0.985
  549   2HD1  LEU  71          HD12      LEU  71  10.195   7.856  -2.335
  550   3HD1  LEU  71          HD13      LEU  71   8.500   8.219  -2.552
  551   1HD2  LEU  71          HD21      LEU  71   8.699   9.326   0.403
  552   2HD2  LEU  71          HD22      LEU  71   7.836  10.487  -0.606
  553   3HD2  LEU  71          HD23      LEU  71   9.296  10.975   0.224
  554    H    ARG  72           HN       ARG  72  12.559  11.397   0.622
  555    HA   ARG  72           HA       ARG  72  11.172  11.665   3.183
  556   1HB   ARG  72          HB2       ARG  72  13.441  13.298   2.120
  557   2HB   ARG  72          HB1       ARG  72  12.973  13.087   3.806
  558   1HG   ARG  72          HG2       ARG  72  14.305  11.119   1.971
  559   2HG   ARG  72          HG1       ARG  72  14.970  11.841   3.446
  560   1HD   ARG  72          HD2       ARG  72  12.731   9.838   3.206
  561   2HD   ARG  72          HD1       ARG  72  14.306   9.604   3.964
  562    HE   ARG  72           HE       ARG  72  13.265  11.618   5.408
  563   1HH1  ARG  72          HH11      ARG  72  11.996   8.521   4.442
  564   2HH1  ARG  72          HH12      ARG  72  10.999   8.345   5.848
  565   1HH2  ARG  72          HH21      ARG  72  11.958  11.395   7.265
  566   2HH2  ARG  72          HH22      ARG  72  10.976   9.979   7.452
  567    H    PHE  73           HN       PHE  73  11.633  12.972  -0.001
  568    HA   PHE  73           HA       PHE  73  10.098  15.355   0.622
  569   1HB   PHE  73          HB2       PHE  73  10.771  16.112  -1.689
  570   2HB   PHE  73          HB1       PHE  73  12.050  15.971  -0.502
  571    HD1  PHE  73           HD1      PHE  73  11.028  12.766  -1.774
  572    HD2  PHE  73           HD2      PHE  73  13.432  16.178  -2.598
  573    HE1  PHE  73           HE1      PHE  73  12.380  11.436  -3.319
  574    HE2  PHE  73           HE2      PHE  73  14.769  14.857  -4.174
  575    HZ   PHE  73           HZ       PHE  73  14.244  12.484  -4.544
  576    H    SER  74           HN       SER  74   9.797  14.729  -2.725
  577    HA   SER  74           HA       SER  74   7.029  13.951  -2.190
  578   1HB   SER  74          HB2       SER  74   6.663  15.011  -4.551
  579   2HB   SER  74          HB1       SER  74   6.756  16.035  -3.118
  580    HG   SER  74           HG       SER  74   8.191  16.968  -4.429
  581    H    GLU  75           HN       GLU  75   9.526  12.357  -3.003
  582    HA   GLU  75           HA       GLU  75   8.655  11.197  -5.481
  583   1HB   GLU  75          HB2       GLU  75  10.737  10.596  -3.449
  584   2HB   GLU  75          HB1       GLU  75  10.318   9.338  -4.590
  585   1HG   GLU  75          HG2       GLU  75  11.218  12.088  -5.336
  586   2HG   GLU  75          HG1       GLU  75  12.302  10.713  -5.112
  587    H    TYR  76           HN       TYR  76   7.358  11.071  -2.441
  588    HA   TYR  76           HA       TYR  76   6.960   8.602  -1.544
  589   1HB   TYR  76          HB2       TYR  76   5.452  11.058  -1.432
  590   2HB   TYR  76          HB1       TYR  76   4.406   9.637  -1.288
  591    HD1  TYR  76           HD1      TYR  76   5.204  11.867   0.770
  592    HD2  TYR  76           HD2      TYR  76   6.519   7.871   0.140
  593    HE1  TYR  76           HE1      TYR  76   5.969  11.745   3.095
  594    HE2  TYR  76           HE2      TYR  76   7.287   7.755   2.427
  595    HH   TYR  76           HH       TYR  76   7.963   9.255   4.255
  596    H    TRP  77           HN       TRP  77   5.738   9.718  -4.525
  597    HA   TRP  77           HA       TRP  77   3.686   7.817  -4.878
  598   1HB   TRP  77          HB2       TRP  77   3.962   8.179  -7.276
  599   2HB   TRP  77          HB1       TRP  77   4.056   9.721  -6.431
  600    HD1  TRP  77           HD1      TRP  77   6.548   7.039  -7.707
  601    HE1  TRP  77           HE1      TRP  77   8.623   8.255  -8.583
  602    HE3  TRP  77           HE3      TRP  77   5.182  11.829  -6.634
  603    HZ2  TRP  77           HZ2      TRP  77   9.567  10.920  -8.808
  604    HZ3  TRP  77           HZ3      TRP  77   6.716  13.657  -7.193
  605    HH2  TRP  77           HH2      TRP  77   8.869  13.215  -8.266
  606    H    ARG  78           HN       ARG  78   7.051   7.380  -4.468
  607    HA   ARG  78           HA       ARG  78   7.302   5.086  -6.166
  608   1HB   ARG  78          HB2       ARG  78   9.079   6.403  -4.116
  609   2HB   ARG  78          HB1       ARG  78   9.525   4.868  -4.867
  610   1HG   ARG  78          HG2       ARG  78   8.892   7.371  -6.407
  611   2HG   ARG  78          HG1       ARG  78  10.517   6.904  -5.907
  612   1HD   ARG  78          HD2       ARG  78  10.346   4.849  -7.186
  613   2HD   ARG  78          HD1       ARG  78   8.687   5.243  -7.635
  614    HE   ARG  78           HE       ARG  78  10.384   7.336  -8.433
  615   1HH1  ARG  78          HH11      ARG  78   9.645   4.028  -9.220
  616   2HH1  ARG  78          HH12      ARG  78  10.092   4.186 -10.886
  617   1HH2  ARG  78          HH21      ARG  78  10.974   7.561 -10.625
  618   2HH2  ARG  78          HH22      ARG  78  10.847   6.196 -11.685
  619    H    LEU  79           HN       LEU  79   6.993   5.648  -2.617
  620    HA   LEU  79           HA       LEU  79   6.865   2.940  -1.944
  621   1HB   LEU  79          HB2       LEU  79   5.470   5.245  -0.613
  622   2HB   LEU  79          HB1       LEU  79   5.794   3.674   0.107
  623    HG   LEU  79           HG       LEU  79   7.992   5.485  -0.863
  624   1HD1  LEU  79          HD11      LEU  79   7.465   5.225   2.022
  625   2HD1  LEU  79          HD12      LEU  79   6.332   6.217   1.113
  626   3HD1  LEU  79          HD13      LEU  79   8.054   6.599   1.092
  627   1HD2  LEU  79          HD21      LEU  79   8.448   3.614   1.337
  628   2HD2  LEU  79          HD22      LEU  79   9.406   3.914  -0.100
  629   3HD2  LEU  79          HD23      LEU  79   8.020   2.834  -0.182
  630    H    ILE  80           HN       ILE  80   4.700   4.856  -3.709
  631    HA   ILE  80           HA       ILE  80   2.247   3.946  -2.996
  632    HB   ILE  80           HB       ILE  80   3.117   5.625  -4.881
  633   1HG1  ILE  80          HG12      ILE  80   0.455   4.204  -5.122
  634   2HG1  ILE  80          HG11      ILE  80   0.812   5.427  -3.907
  635   1HG2  ILE  80          HG21      ILE  80   3.901   3.957  -6.427
  636   2HG2  ILE  80          HG22      ILE  80   2.519   4.808  -7.112
  637   3HG2  ILE  80          HG23      ILE  80   2.316   3.188  -6.451
  638   1HD1  ILE  80          HD11      ILE  80  -0.440   6.274  -5.868
  639   2HD1  ILE  80          HD12      ILE  80   0.955   5.889  -6.876
  640   3HD1  ILE  80          HD13      ILE  80   1.095   7.098  -5.599
  641    H    GLY  81           HN       GLY  81   4.364   2.418  -5.425
  642   1HA   GLY  81          HA2       GLY  81   2.645   0.097  -5.558
  643   2HA   GLY  81          HA1       GLY  81   4.170   0.318  -6.404
  644    H    GLU  82           HN       GLU  82   4.755   1.124  -3.269
  645    HA   GLU  82           HA       GLU  82   6.160  -1.361  -2.789
  646   1HB   GLU  82          HB2       GLU  82   5.909   1.188  -1.252
  647   2HB   GLU  82          HB1       GLU  82   6.854  -0.174  -0.681
  648   1HG   GLU  82          HG2       GLU  82   7.333   1.445  -3.171
  649   2HG   GLU  82          HG1       GLU  82   8.345   1.372  -1.731
  650    H    LEU  83           HN       LEU  83   3.815   0.591  -0.970
  651    HA   LEU  83           HA       LEU  83   3.254  -1.176   1.070
  652   1HB   LEU  83          HB2       LEU  83   1.498   0.836  -0.313
  653   2HB   LEU  83          HB1       LEU  83   0.948  -0.094   1.065
  654    HG   LEU  83           HG       LEU  83   2.913   0.858   2.352
  655   1HD1  LEU  83          HD11      LEU  83   3.763   3.030   1.458
  656   2HD1  LEU  83          HD12      LEU  83   3.041   2.604  -0.091
  657   3HD1  LEU  83          HD13      LEU  83   4.325   1.604   0.589
  658   1HD2  LEU  83          HD21      LEU  83   0.733   1.675   2.812
  659   2HD2  LEU  83          HD22      LEU  83   0.703   2.623   1.325
  660   3HD2  LEU  83          HD23      LEU  83   1.782   3.084   2.641
  661    H    ALA  84           HN       ALA  84   2.460  -1.461  -2.261
  662    HA   ALA  84           HA       ALA  84   0.396  -3.371  -1.855
  663   1HB   ALA  84          HB1       ALA  84   1.756  -2.129  -4.112
  664   2HB   ALA  84          HB2       ALA  84   0.066  -2.609  -3.934
  665   3HB   ALA  84          HB3       ALA  84   1.282  -3.802  -4.396
  666    H    LYS  85           HN       LYS  85   3.849  -3.505  -2.447
  667    HA   LYS  85           HA       LYS  85   4.326  -6.119  -3.127
  668   1HB   LYS  85          HB2       LYS  85   5.971  -4.598  -1.115
  669   2HB   LYS  85          HB1       LYS  85   6.515  -5.873  -2.207
  670   1HG   LYS  85          HG2       LYS  85   5.853  -4.383  -4.116
  671   2HG   LYS  85          HG1       LYS  85   5.596  -3.107  -2.947
  672   1HD   LYS  85          HD2       LYS  85   8.136  -4.364  -3.847
  673   2HD   LYS  85          HD1       LYS  85   7.713  -2.664  -3.730
  674   1HE   LYS  85          HE2       LYS  85   8.353  -4.535  -1.453
  675   2HE   LYS  85          HE1       LYS  85   9.329  -3.176  -2.033
  676   1HZ   LYS  85          HZ1       LYS  85   7.978  -1.676  -1.033
  677   2HZ   LYS  85          HZ2       LYS  85   7.733  -2.964   0.032
  678   3HZ   LYS  85          HZ3       LYS  85   6.587  -2.627  -1.165
  679    H    GLU  86           HN       GLU  86   3.169  -4.951  -0.088
  680    HA   GLU  86           HA       GLU  86   3.586  -7.457   1.192
  681   1HB   GLU  86          HB2       GLU  86   2.024  -6.308   2.905
  682   2HB   GLU  86          HB1       GLU  86   3.667  -5.741   2.739
  683   1HG   GLU  86          HG2       GLU  86   2.953  -3.839   1.556
  684   2HG   GLU  86          HG1       GLU  86   1.363  -4.521   1.306
  685    H    VAL  87           HN       VAL  87   0.754  -5.690  -0.102
  686    HA   VAL  87           HA       VAL  87  -1.014  -7.879   0.543
  687    HB   VAL  87           HB       VAL  87  -1.803  -5.504  -1.138
  688   1HG1  VAL  87          HG11      VAL  87  -3.566  -6.971  -1.144
  689   2HG1  VAL  87          HG12      VAL  87  -3.935  -6.008   0.288
  690   3HG1  VAL  87          HG13      VAL  87  -3.195  -7.598   0.461
  691   1HG2  VAL  87          HG21      VAL  87  -0.726  -4.578   0.801
  692   2HG2  VAL  87          HG22      VAL  87  -1.595  -5.686   1.860
  693   3HG2  VAL  87          HG23      VAL  87  -2.474  -4.426   0.995
  694    H    ARG  88           HN       ARG  88   1.137  -7.570  -1.901
  695    HA   ARG  88           HA       ARG  88  -0.588  -8.501  -4.023
  696   1HB   ARG  88          HB2       ARG  88   1.445  -7.072  -4.412
  697   2HB   ARG  88          HB1       ARG  88   2.425  -8.478  -4.023
  698   1HG   ARG  88          HG2       ARG  88   1.467  -9.698  -5.885
  699   2HG   ARG  88          HG1       ARG  88   0.423  -8.328  -6.260
  700   1HD   ARG  88          HD2       ARG  88   2.277  -8.256  -7.759
  701   2HD   ARG  88          HD1       ARG  88   2.487  -6.954  -6.589
  702    HE   ARG  88           HE       ARG  88   3.840  -9.257  -5.696
  703   1HH1  ARG  88          HH11      ARG  88   4.036  -6.765  -8.117
  704   2HH1  ARG  88          HH12      ARG  88   5.759  -6.859  -8.263
  705   1HH2  ARG  88          HH21      ARG  88   6.114  -9.397  -5.886
  706   2HH2  ARG  88          HH22      ARG  88   6.940  -8.352  -6.993
  707    H    LYS  89           HN       LYS  89   2.092  -9.974  -2.210
  708    HA   LYS  89           HA       LYS  89   1.526 -12.585  -3.309
  709   1HB   LYS  89          HB2       LYS  89   3.276 -13.296  -1.588
  710   2HB   LYS  89          HB1       LYS  89   3.806 -12.248  -2.890
  711   1HG   LYS  89          HG2       LYS  89   2.924 -10.694  -0.633
  712   2HG   LYS  89          HG1       LYS  89   4.158 -11.865  -0.154
  713   1HD   LYS  89          HD2       LYS  89   5.054  -9.664  -0.870
  714   2HD   LYS  89          HD1       LYS  89   5.677 -11.034  -1.766
  715   1HE   LYS  89          HE2       LYS  89   3.978 -10.486  -3.545
  716   2HE   LYS  89          HE1       LYS  89   3.646  -9.008  -2.650
  717   1HZ   LYS  89          HZ1       LYS  89   5.216  -8.562  -4.380
  718   2HZ   LYS  89          HZ2       LYS  89   6.246  -9.788  -3.835
  719   3HZ   LYS  89          HZ3       LYS  89   5.993  -8.411  -2.885
  720    H    GLU  90           HN       GLU  90   1.015 -10.789  -0.390
  721    HA   GLU  90           HA       GLU  90   0.170 -12.852   1.296
  722   1HB   GLU  90          HB2       GLU  90  -0.372  -9.888   1.238
  723   2HB   GLU  90          HB1       GLU  90  -0.983 -10.938   2.519
  724   1HG   GLU  90          HG2       GLU  90   1.920 -10.576   1.791
  725   2HG   GLU  90          HG1       GLU  90   1.098  -9.820   3.156
  726    H    LYS  91           HN       LYS  91  -1.332 -11.576  -1.466
  727    HA   LYS  91           HA       LYS  91  -4.006 -11.769  -0.695
  728   1HB   LYS  91          HB2       LYS  91  -4.553 -11.586  -3.018
  729   2HB   LYS  91          HB1       LYS  91  -3.132 -10.587  -2.742
  730   1HG   LYS  91          HG2       LYS  91  -1.755 -12.533  -3.551
  731   2HG   LYS  91          HG1       LYS  91  -3.269 -13.293  -4.038
  732   1HD   LYS  91          HD2       LYS  91  -3.768 -11.290  -5.417
  733   2HD   LYS  91          HD1       LYS  91  -2.169 -10.663  -5.017
  734   1HE   LYS  91          HE2       LYS  91  -2.144 -11.753  -7.191
  735   2HE   LYS  91          HE1       LYS  91  -1.144 -12.637  -6.039
  736   1HZ   LYS  91          HZ1       LYS  91  -2.515 -14.121  -7.374
  737   2HZ   LYS  91          HZ2       LYS  91  -3.919 -13.362  -6.815
  738   3HZ   LYS  91          HZ3       LYS  91  -2.935 -14.219  -5.738
  739    H    ALA  92           HN       ALA  92  -1.907 -14.073  -2.338
  740    HA   ALA  92           HA       ALA  92  -3.820 -16.082  -2.715
  741   1HB   ALA  92          HB1       ALA  92  -0.919 -16.627  -2.127
  742   2HB   ALA  92          HB2       ALA  92  -1.473 -15.985  -3.673
  743   3HB   ALA  92          HB3       ALA  92  -2.030 -17.566  -3.125
  744    H    LEU  93           HN       LEU  93  -2.236 -14.964   0.113
  745    HA   LEU  93           HA       LEU  93  -2.979 -17.298   1.680
  746   1HB   LEU  93          HB2       LEU  93  -0.985 -15.965   2.295
  747   2HB   LEU  93          HB1       LEU  93  -2.030 -14.587   2.606
  748    HG   LEU  93           HG       LEU  93  -2.875 -16.978   4.046
  749   1HD1  LEU  93          HD11      LEU  93  -0.168 -15.774   4.664
  750   2HD1  LEU  93          HD12      LEU  93  -0.470 -17.413   4.087
  751   3HD1  LEU  93          HD13      LEU  93  -1.040 -16.921   5.682
  752   1HD2  LEU  93          HD21      LEU  93  -3.759 -14.746   4.468
  753   2HD2  LEU  93          HD22      LEU  93  -2.148 -14.167   4.893
  754   3HD2  LEU  93          HD23      LEU  93  -2.947 -15.372   5.903
  755    H    GLY  94           HN       GLY  94  -4.234 -14.163   0.875
  756   1HA   GLY  94          HA2       GLY  94  -6.142 -13.689   2.764
  757   2HA   GLY  94          HA1       GLY  94  -6.398 -13.381   1.049
  758    H    ILE  95           HN       ILE  95  -6.209 -16.137   0.252
  759    HA   ILE  95           HA       ILE  95  -8.922 -16.878   0.717
  760    HB   ILE  95           HB       ILE  95  -8.285 -18.969  -0.539
  761   1HG1  ILE  95          HG12      ILE  95  -5.745 -17.524  -1.176
  762   2HG1  ILE  95          HG11      ILE  95  -5.806 -18.678   0.154
  763   1HG2  ILE  95          HG21      ILE  95  -9.305 -17.302  -1.765
  764   2HG2  ILE  95          HG22      ILE  95  -7.833 -17.647  -2.668
  765   3HG2  ILE  95          HG23      ILE  95  -7.916 -16.232  -1.622
  766   1HD1  ILE  95          HD11      ILE  95  -4.952 -19.683  -1.897
  767   2HD1  ILE  95          HD12      ILE  95  -6.454 -19.274  -2.725
  768   3HD1  ILE  95          HD13      ILE  95  -6.468 -20.431  -1.394
  769    H    ARG  96           HN       ARG  96  -8.126 -16.763   3.191
  770    HA   ARG  96           HA       ARG  96  -6.888 -19.002   4.314
  771   1HB   ARG  96          HB2       ARG  96  -8.704 -16.850   5.270
  772   2HB   ARG  96          HB1       ARG  96  -8.421 -18.224   6.332
  773   1HG   ARG  96          HG2       ARG  96  -6.204 -16.602   5.120
  774   2HG   ARG  96          HG1       ARG  96  -6.964 -16.179   6.654
  775   1HD   ARG  96          HD2       ARG  96  -6.282 -18.253   7.635
  776   2HD   ARG  96          HD1       ARG  96  -5.707 -18.855   6.081
  777    HE   ARG  96           HE       ARG  96  -3.781 -17.622   6.339
  778   1HH1  ARG  96          HH11      ARG  96  -6.117 -16.659   8.739
  779   2HH1  ARG  96          HH12      ARG  96  -4.988 -15.705   9.641
  780   1HH2  ARG  96          HH21      ARG  96  -2.291 -16.363   7.516
  781   2HH2  ARG  96          HH22      ARG  96  -2.812 -15.536   8.945
  782    H    LYS  97           HN       LYS  97 -10.001 -18.484   2.928
  783    HA   LYS  97           HA       LYS  97 -11.125 -20.888   4.113
  784   1HB   LYS  97          HB2       LYS  97 -12.786 -20.021   1.995
  785   2HB   LYS  97          HB1       LYS  97 -13.080 -19.861   3.716
  786   1HG   LYS  97          HG2       LYS  97 -11.632 -17.810   2.025
  787   2HG   LYS  97          HG1       LYS  97 -13.336 -17.751   2.472
  788   1HD   LYS  97          HD2       LYS  97 -12.900 -17.185   4.626
  789   2HD   LYS  97          HD1       LYS  97 -11.385 -18.087   4.674
  790   1HE   LYS  97          HE2       LYS  97 -10.215 -16.378   3.553
  791   2HE   LYS  97          HE1       LYS  97 -11.704 -15.581   3.048
  792   1HZ   LYS  97          HZ1       LYS  97 -10.632 -14.407   4.867
  793   2HZ   LYS  97          HZ2       LYS  97 -10.718 -15.785   5.843
  794   3HZ   LYS  97          HZ3       LYS  97 -12.137 -15.008   5.352
  795    H    LYS  98           HN       LYS  98  -9.552 -22.326   3.294
  796    HA   LYS  98           HA       LYS  98  -9.589 -22.744   0.388
  797   1HB   LYS  98          HB2       LYS  98  -7.669 -23.839   2.454
  798   2HB   LYS  98          HB1       LYS  98  -7.539 -24.040   0.713
  799   1HG   LYS  98          HG2       LYS  98  -7.377 -21.522   0.557
  800   2HG   LYS  98          HG1       LYS  98  -7.192 -21.507   2.315
  801   1HD   LYS  98          HD2       LYS  98  -5.238 -22.968   2.113
  802   2HD   LYS  98          HD1       LYS  98  -5.415 -22.966   0.357
  803   1HE   LYS  98          HE2       LYS  98  -3.703 -21.379   1.092
  804   2HE   LYS  98          HE1       LYS  98  -5.052 -20.560   0.308
  805   1HZ   LYS  98          HZ1       LYS  98  -5.931 -19.995   2.487
  806   2HZ   LYS  98          HZ2       LYS  98  -4.357 -19.401   2.308
  807   3HZ   LYS  98          HZ3       LYS  98  -4.636 -20.783   3.241
  808   1H    MET   1          HT1       MET   1  18.316  -3.702  -3.858
  809   2H    MET   1          HT2       MET   1  19.382  -4.394  -2.747
  810   3H    MET   1          HT3       MET   1  17.914  -3.750  -2.214
  811    HA   MET   1           HA       MET   1  18.334  -6.163  -3.873
  812   1HB   MET   1          HB2       MET   1  17.585  -5.625  -1.065
  813   2HB   MET   1          HB1       MET   1  16.719  -6.907  -1.857
  814   1HG   MET   1          HG2       MET   1  18.872  -7.410  -0.505
  815   2HG   MET   1          HG1       MET   1  18.581  -8.245  -2.023
  816   1HE   MET   1          HE1       MET   1  22.362  -8.057  -2.340
  817   2HE   MET   1          HE2       MET   1  20.922  -9.040  -2.071
  818   3HE   MET   1          HE3       MET   1  21.638  -8.138  -0.734
  819    H    ALA   2           HN       ALA   2  16.072  -7.401  -3.709
  820    HA   ALA   2           HA       ALA   2  14.127  -5.502  -4.800
  821   1HB   ALA   2          HB1       ALA   2  13.203  -7.427  -6.075
  822   2HB   ALA   2          HB2       ALA   2  14.555  -8.396  -5.488
  823   3HB   ALA   2          HB3       ALA   2  14.852  -6.995  -6.512
  824    H    ALA   3           HN       ALA   3  11.905  -5.902  -4.501
  825    HA   ALA   3           HA       ALA   3  11.254  -6.867  -1.837
  826   1HB   ALA   3          HB1       ALA   3   9.575  -5.652  -4.024
  827   2HB   ALA   3          HB2       ALA   3  10.239  -4.827  -2.613
  828   3HB   ALA   3          HB3       ALA   3   8.999  -6.066  -2.411
  829    H    GLU   4           HN       GLU   4  11.831  -9.120  -2.334
  830    HA   GLU   4           HA       GLU   4  10.483 -10.587  -4.347
  831   1HB   GLU   4          HB2       GLU   4  11.023 -12.465  -2.347
  832   2HB   GLU   4          HB1       GLU   4  12.014 -12.097  -3.744
  833   1HG   GLU   4          HG2       GLU   4  13.357 -12.090  -1.751
  834   2HG   GLU   4          HG1       GLU   4  13.268 -10.464  -2.422
  835    H    THR   5           HN       THR   5  10.021 -11.568  -0.967
  836    HA   THR   5           HA       THR   5   7.242 -11.919  -1.460
  837    HB   THR   5           HB       THR   5   8.181 -11.918   1.337
  838    HG1  THR   5           HG1      THR   5   9.983 -12.864   0.490
  839   1HG2  THR   5          HG21      THR   5   5.972 -12.752   0.034
  840   2HG2  THR   5          HG22      THR   5   6.526 -13.442   1.565
  841   3HG2  THR   5          HG23      THR   5   6.914 -14.249   0.044
  842    H    LEU   6           HN       LEU   6   6.154 -11.128   1.041
  843    HA   LEU   6           HA       LEU   6   5.462  -8.459   0.567
  844   1HB   LEU   6          HB2       LEU   6   4.072  -8.651   2.463
  845   2HB   LEU   6          HB1       LEU   6   4.068 -10.228   1.705
  846    HG   LEU   6           HG       LEU   6   5.580  -9.400   4.149
  847   1HD1  LEU   6          HD11      LEU   6   3.975 -10.349   5.407
  848   2HD1  LEU   6          HD12      LEU   6   3.677 -11.631   4.235
  849   3HD1  LEU   6          HD13      LEU   6   2.969 -10.034   3.993
  850   1HD2  LEU   6          HD21      LEU   6   6.941 -10.982   2.990
  851   2HD2  LEU   6          HD22      LEU   6   5.551 -12.027   2.694
  852   3HD2  LEU   6          HD23      LEU   6   6.160 -11.815   4.335
  853    H    THR   7           HN       THR   7   6.688  -6.737   0.910
  854    HA   THR   7           HA       THR   7   9.014  -6.813   2.509
  855    HB   THR   7           HB       THR   7   8.465  -4.130   2.337
  856    HG1  THR   7           HG1      THR   7   6.526  -4.617   1.159
  857   1HG2  THR   7          HG21      THR   7   9.683  -5.681   0.022
  858   2HG2  THR   7          HG22      THR   7  10.522  -5.376   1.550
  859   3HG2  THR   7          HG23      THR   7  10.027  -4.023   0.538
  860    H    GLU   8           HN       GLU   8   9.342  -5.288   4.419
  861    HA   GLU   8           HA       GLU   8   7.932  -6.062   6.579
  862   1HB   GLU   8          HB2       GLU   8   8.919  -3.231   6.288
  863   2HB   GLU   8          HB1       GLU   8   8.711  -4.131   7.782
  864   1HG   GLU   8          HG2       GLU   8  10.732  -4.712   5.622
  865   2HG   GLU   8          HG1       GLU   8  11.051  -4.015   7.210
  866    H    LEU   9           HN       LEU   9   6.914  -3.683   4.276
  867    HA   LEU   9           HA       LEU   9   4.912  -2.302   5.523
  868   1HB   LEU   9          HB2       LEU   9   4.361  -3.505   2.827
  869   2HB   LEU   9          HB1       LEU   9   3.994  -1.897   3.422
  870    HG   LEU   9           HG       LEU   9   6.650  -2.953   2.493
  871   1HD1  LEU   9          HD11      LEU   9   4.990  -1.988   0.892
  872   2HD1  LEU   9          HD12      LEU   9   6.575  -1.223   0.908
  873   3HD1  LEU   9          HD13      LEU   9   5.211  -0.442   1.705
  874   1HD2  LEU   9          HD21      LEU   9   6.989  -0.294   3.238
  875   2HD2  LEU   9          HD22      LEU   9   7.687  -1.712   4.007
  876   3HD2  LEU   9          HD23      LEU   9   6.164  -1.050   4.593
  877    H    GLU  10           HN       GLU  10   5.003  -5.651   4.688
  878    HA   GLU  10           HA       GLU  10   2.408  -6.484   4.727
  879   1HB   GLU  10          HB2       GLU  10   3.423  -8.523   6.001
  880   2HB   GLU  10          HB1       GLU  10   3.977  -8.152   4.373
  881   1HG   GLU  10          HG2       GLU  10   6.060  -7.941   5.082
  882   2HG   GLU  10          HG1       GLU  10   5.580  -6.717   6.237
  883    H    ALA  11           HN       ALA  11   4.504  -5.847   7.517
  884    HA   ALA  11           HA       ALA  11   2.677  -6.439   9.544
  885   1HB   ALA  11          HB1       ALA  11   5.260  -5.539   9.470
  886   2HB   ALA  11          HB2       ALA  11   4.282  -5.677  10.930
  887   3HB   ALA  11          HB3       ALA  11   4.400  -4.130  10.092
  888    H    ALA  12           HN       ALA  12   3.122  -3.605   7.551
  889    HA   ALA  12           HA       ALA  12   1.301  -1.928   8.945
  890   1HB   ALA  12          HB1       ALA  12   2.007  -1.724   6.023
  891   2HB   ALA  12          HB2       ALA  12   3.069  -1.162   7.314
  892   3HB   ALA  12          HB3       ALA  12   1.475  -0.437   7.105
  893    H    ILE  13           HN       ILE  13   0.970  -4.503   6.657
  894    HA   ILE  13           HA       ILE  13  -1.457  -3.970   5.489
  895    HB   ILE  13           HB       ILE  13   0.185  -6.038   5.280
  896   1HG1  ILE  13          HG12      ILE  13  -1.624  -5.401   3.741
  897   2HG1  ILE  13          HG11      ILE  13  -1.495  -7.146   3.925
  898   1HG2  ILE  13          HG21      ILE  13  -2.060  -7.369   6.763
  899   2HG2  ILE  13          HG22      ILE  13  -0.561  -6.904   7.565
  900   3HG2  ILE  13          HG23      ILE  13  -0.525  -8.059   6.233
  901   1HD1  ILE  13          HD11      ILE  13  -3.361  -6.961   5.618
  902   2HD1  ILE  13          HD12      ILE  13  -3.787  -6.648   3.935
  903   3HD1  ILE  13          HD13      ILE  13  -3.569  -5.303   5.054
  904    H    GLU  14           HN       GLU  14  -0.692  -4.949   8.720
  905    HA   GLU  14           HA       GLU  14  -3.210  -5.825   9.591
  906   1HB   GLU  14          HB2       GLU  14  -0.974  -4.542  11.168
  907   2HB   GLU  14          HB1       GLU  14  -2.337  -5.409  11.862
  908   1HG   GLU  14          HG2       GLU  14  -1.616  -7.453  10.742
  909   2HG   GLU  14          HG1       GLU  14  -0.254  -6.586  10.035
  910    H    THR  15           HN       THR  15  -1.783  -2.563   9.470
  911    HA   THR  15           HA       THR  15  -3.895  -1.386  10.922
  912    HB   THR  15           HB       THR  15  -1.949  -0.080   9.032
  913    HG1  THR  15           HG1      THR  15  -0.857   0.447  11.026
  914   1HG2  THR  15          HG21      THR  15  -2.487   1.950  10.461
  915   2HG2  THR  15          HG22      THR  15  -3.858   1.031  11.080
  916   3HG2  THR  15          HG23      THR  15  -3.759   1.419   9.362
  917    H    VAL  16           HN       VAL  16  -2.975  -1.231   7.528
  918    HA   VAL  16           HA       VAL  16  -5.241   0.058   6.534
  919    HB   VAL  16           HB       VAL  16  -3.216  -0.099   5.242
  920   1HG1  VAL  16          HG11      VAL  16  -2.369  -2.220   5.979
  921   2HG1  VAL  16          HG12      VAL  16  -2.532  -2.264   4.225
  922   3HG1  VAL  16          HG13      VAL  16  -3.723  -3.074   5.241
  923   1HG2  VAL  16          HG21      VAL  16  -4.449  -1.589   3.241
  924   2HG2  VAL  16          HG22      VAL  16  -4.583   0.148   3.505
  925   3HG2  VAL  16          HG23      VAL  16  -5.784  -0.941   4.191
  926    H    VAL  17           HN       VAL  17  -4.715  -3.344   7.243
  927    HA   VAL  17           HA       VAL  17  -7.083  -4.191   5.851
  928    HB   VAL  17           HB       VAL  17  -5.085  -5.665   6.210
  929   1HG1  VAL  17          HG11      VAL  17  -4.843  -5.037   8.646
  930   2HG1  VAL  17          HG12      VAL  17  -4.700  -6.752   8.269
  931   3HG1  VAL  17          HG13      VAL  17  -6.193  -6.121   8.965
  932   1HG2  VAL  17          HG21      VAL  17  -7.169  -6.593   5.452
  933   2HG2  VAL  17          HG22      VAL  17  -7.780  -6.665   7.103
  934   3HG2  VAL  17          HG23      VAL  17  -6.435  -7.697   6.615
  935    H    SER  18           HN       SER  18  -6.109  -3.645   9.194
  936    HA   SER  18           HA       SER  18  -8.705  -4.314  10.242
  937   1HB   SER  18          HB2       SER  18  -6.704  -4.833  11.546
  938   2HB   SER  18          HB1       SER  18  -6.276  -3.124  11.598
  939    HG   SER  18           HG       SER  18  -7.549  -2.934  13.243
  940    H    THR  19           HN       THR  19  -7.418  -1.541   8.815
  941    HA   THR  19           HA       THR  19  -9.003   0.276  10.417
  942    HB   THR  19           HB       THR  19  -8.178   2.014   8.712
  943    HG1  THR  19           HG1      THR  19  -7.249  -0.139   7.504
  944   1HG2  THR  19          HG21      THR  19  -6.294   0.537  10.546
  945   2HG2  THR  19          HG22      THR  19  -7.289   1.940  10.933
  946   3HG2  THR  19          HG23      THR  19  -5.937   2.100   9.813
  947    H    PHE  20           HN       PHE  20  -8.833   0.763   6.973
  948    HA   PHE  20           HA       PHE  20 -11.644   1.227   6.806
  949   1HB   PHE  20          HB2       PHE  20 -10.461   2.664   5.441
  950   2HB   PHE  20          HB1       PHE  20  -9.255   1.443   5.068
  951    HD1  PHE  20           HD1      PHE  20 -12.951   1.577   4.534
  952    HD2  PHE  20           HD2      PHE  20  -9.082   1.221   2.806
  953    HE1  PHE  20           HE1      PHE  20 -13.967   1.243   2.319
  954    HE2  PHE  20           HE2      PHE  20 -10.095   0.885   0.591
  955    HZ   PHE  20           HZ       PHE  20 -12.542   0.896   0.347
  956    H    PHE  21           HN       PHE  21  -9.470  -1.311   5.972
  957    HA   PHE  21           HA       PHE  21 -11.252  -2.604   4.282
  958   1HB   PHE  21          HB2       PHE  21  -8.753  -3.526   5.678
  959   2HB   PHE  21          HB1       PHE  21  -9.586  -4.527   4.515
  960    HD1  PHE  21           HD1      PHE  21  -6.850  -4.040   4.035
  961    HD2  PHE  21           HD2      PHE  21 -10.146  -1.510   3.138
  962    HE1  PHE  21           HE1      PHE  21  -5.528  -2.934   2.343
  963    HE2  PHE  21           HE2      PHE  21  -8.810  -0.413   1.403
  964    HZ   PHE  21           HZ       PHE  21  -6.492  -1.115   0.990
  965    H    THR  22           HN       THR  22 -11.461  -2.232   7.540
  966    HA   THR  22           HA       THR  22 -12.425  -4.773   8.305
  967    HB   THR  22           HB       THR  22 -13.386  -3.655  10.227
  968    HG1  THR  22           HG1      THR  22 -13.697  -1.622   8.581
  969   1HG2  THR  22          HG21      THR  22 -11.384  -2.538  11.058
  970   2HG2  THR  22          HG22      THR  22 -10.753  -2.463   9.410
  971   3HG2  THR  22          HG23      THR  22 -10.985  -4.025  10.196
  972    H    PHE  23           HN       PHE  23 -13.702  -2.480   6.186
  973    HA   PHE  23           HA       PHE  23 -16.452  -2.884   6.779
  974   1HB   PHE  23          HB2       PHE  23 -16.742  -1.053   5.546
  975   2HB   PHE  23          HB1       PHE  23 -14.986  -0.972   5.512
  976    HD1  PHE  23           HD1      PHE  23 -14.051  -0.494   3.588
  977    HD2  PHE  23           HD2      PHE  23 -17.714  -2.640   3.516
  978    HE1  PHE  23           HE1      PHE  23 -14.037  -0.432   1.143
  979    HE2  PHE  23           HE2      PHE  23 -17.682  -2.611   1.093
  980    HZ   PHE  23           HZ       PHE  23 -15.824  -1.499  -0.104
  981    H    ALA  24           HN       ALA  24 -14.224  -4.816   5.096
  982    HA   ALA  24           HA       ALA  24 -15.665  -6.026   3.077
  983   1HB   ALA  24          HB1       ALA  24 -13.312  -6.572   4.156
  984   2HB   ALA  24          HB2       ALA  24 -14.194  -7.798   3.256
  985   3HB   ALA  24          HB3       ALA  24 -14.238  -7.792   5.017
  986    H    GLY  25           HN       GLY  25 -15.640  -6.940   6.488
  987   1HA   GLY  25          HA2       GLY  25 -17.387  -8.943   6.714
  988   2HA   GLY  25          HA1       GLY  25 -17.391  -7.609   7.859
  989    H    ARG  26           HN       ARG  26 -18.274  -5.681   5.799
  990    HA   ARG  26           HA       ARG  26 -20.933  -5.482   6.159
  991   1HB   ARG  26          HB2       ARG  26 -19.665  -3.813   4.962
  992   2HB   ARG  26          HB1       ARG  26 -19.397  -4.912   3.620
  993   1HG   ARG  26          HG2       ARG  26 -21.091  -3.366   2.992
  994   2HG   ARG  26          HG1       ARG  26 -21.863  -4.932   3.245
  995   1HD   ARG  26          HD2       ARG  26 -22.510  -4.200   5.512
  996   2HD   ARG  26          HD1       ARG  26 -21.806  -2.622   5.171
  997    HE   ARG  26           HE       ARG  26 -23.733  -3.324   3.210
  998   1HH1  ARG  26          HH11      ARG  26 -23.393  -2.170   6.478
  999   2HH1  ARG  26          HH12      ARG  26 -24.924  -1.361   6.490
 1000   1HH2  ARG  26          HH21      ARG  26 -25.754  -2.264   3.214
 1001   2HH2  ARG  26          HH22      ARG  26 -26.267  -1.416   4.634
 1002    H    GLU  27           HN       GLU  27 -19.343  -7.419   3.687
 1003    HA   GLU  27           HA       GLU  27 -21.844  -8.511   2.724
 1004   1HB   GLU  27          HB2       GLU  27 -18.996  -9.294   2.072
 1005   2HB   GLU  27          HB1       GLU  27 -20.431  -9.834   1.212
 1006   1HG   GLU  27          HG2       GLU  27 -19.383  -7.020   1.372
 1007   2HG   GLU  27          HG1       GLU  27 -19.339  -8.090  -0.028
 1008    H    GLY  28           HN       GLY  28 -22.518 -10.657   2.897
 1009   1HA   GLY  28          HA2       GLY  28 -22.332 -11.858   5.375
 1010   2HA   GLY  28          HA1       GLY  28 -22.848 -12.682   3.916
 1011    H    ARG  29           HN       ARG  29 -21.548 -14.164   2.990
 1012    HA   ARG  29           HA       ARG  29 -19.748 -15.597   4.399
 1013   1HB   ARG  29          HB2       ARG  29 -20.683 -16.257   2.201
 1014   2HB   ARG  29          HB1       ARG  29 -19.574 -15.142   1.417
 1015   1HG   ARG  29          HG2       ARG  29 -17.663 -16.442   2.193
 1016   2HG   ARG  29          HG1       ARG  29 -18.753 -17.521   3.077
 1017   1HD   ARG  29          HD2       ARG  29 -18.642 -17.126   0.089
 1018   2HD   ARG  29          HD1       ARG  29 -18.096 -18.544   0.984
 1019    HE   ARG  29           HE       ARG  29 -20.763 -18.191   1.626
 1020   1HH1  ARG  29          HH11      ARG  29 -18.878 -18.813  -1.236
 1021   2HH1  ARG  29          HH12      ARG  29 -20.142 -19.685  -2.036
 1022   1HH2  ARG  29          HH21      ARG  29 -22.435 -19.337   0.581
 1023   2HH2  ARG  29          HH22      ARG  29 -22.166 -19.983  -1.004
 1024    H    LYS  30           HN       LYS  30 -17.394 -15.931   4.050
 1025    HA   LYS  30           HA       LYS  30 -16.019 -13.333   4.187
 1026   1HB   LYS  30          HB2       LYS  30 -14.740 -15.996   4.769
 1027   2HB   LYS  30          HB1       LYS  30 -14.336 -14.411   5.409
 1028   1HG   LYS  30          HG2       LYS  30 -16.893 -15.840   6.080
 1029   2HG   LYS  30          HG1       LYS  30 -15.414 -15.997   7.028
 1030   1HD   LYS  30          HD2       LYS  30 -16.514 -14.316   8.162
 1031   2HD   LYS  30          HD1       LYS  30 -15.496 -13.387   7.060
 1032   1HE   LYS  30          HE2       LYS  30 -17.357 -13.091   5.542
 1033   2HE   LYS  30          HE1       LYS  30 -18.379 -14.112   6.550
 1034   1HZ   LYS  30          HZ1       LYS  30 -18.144 -12.477   8.336
 1035   2HZ   LYS  30          HZ2       LYS  30 -18.840 -11.792   6.954
 1036   3HZ   LYS  30          HZ3       LYS  30 -17.216 -11.490   7.322
 1037    H    GLY  31           HN       GLY  31 -16.453 -13.402   1.740
 1038   1HA   GLY  31          HA2       GLY  31 -14.193 -14.772   0.372
 1039   2HA   GLY  31          HA1       GLY  31 -15.733 -14.394  -0.407
 1040    H    SER  32           HN       SER  32 -16.284 -11.919  -0.242
 1041    HA   SER  32           HA       SER  32 -13.829 -10.408  -0.380
 1042   1HB   SER  32          HB2       SER  32 -14.195  -9.564  -2.516
 1043   2HB   SER  32          HB1       SER  32 -14.583 -11.275  -2.619
 1044    HG   SER  32           HG       SER  32 -16.660 -10.831  -2.860
 1045    H    LEU  33           HN       LEU  33 -14.139  -8.125  -0.527
 1046    HA   LEU  33           HA       LEU  33 -16.358  -7.215   1.081
 1047   1HB   LEU  33          HB2       LEU  33 -14.267  -6.475   1.875
 1048   2HB   LEU  33          HB1       LEU  33 -13.693  -6.162   0.277
 1049    HG   LEU  33           HG       LEU  33 -15.948  -4.487   1.106
 1050   1HD1  LEU  33          HD11      LEU  33 -15.064  -3.690   2.970
 1051   2HD1  LEU  33          HD12      LEU  33 -13.560  -3.320   2.139
 1052   3HD1  LEU  33          HD13      LEU  33 -13.806  -4.900   2.882
 1053   1HD2  LEU  33          HD21      LEU  33 -13.501  -3.245   0.159
 1054   2HD2  LEU  33          HD22      LEU  33 -15.106  -3.225  -0.550
 1055   3HD2  LEU  33          HD23      LEU  33 -14.024  -4.555  -0.893
 1056    H    ASN  34           HN       ASN  34 -17.607  -5.295   0.262
 1057    HA   ASN  34           HA       ASN  34 -17.410  -5.238  -2.651
 1058   1HB   ASN  34          HB2       ASN  34 -19.833  -5.320  -0.845
 1059   2HB   ASN  34          HB1       ASN  34 -19.960  -4.783  -2.517
 1060   1HD2  ASN  34          HD21      ASN  34 -21.274  -6.471  -3.120
 1061   2HD2  ASN  34          HD22      ASN  34 -20.701  -8.094  -3.264
 1062    H    ILE  35           HN       ILE  35 -19.187  -3.235  -3.102
 1063    HA   ILE  35           HA       ILE  35 -17.668  -0.988  -2.053
 1064    HB   ILE  35           HB       ILE  35 -18.865   0.264  -3.941
 1065   1HG1  ILE  35          HG12      ILE  35 -19.699  -1.065  -5.761
 1066   2HG1  ILE  35          HG11      ILE  35 -19.174  -2.554  -4.991
 1067   1HG2  ILE  35          HG21      ILE  35 -16.642  -1.663  -4.002
 1068   2HG2  ILE  35          HG22      ILE  35 -16.662   0.058  -4.389
 1069   3HG2  ILE  35          HG23      ILE  35 -17.236  -1.122  -5.566
 1070   1HD1  ILE  35          HD11      ILE  35 -21.586  -2.267  -4.853
 1071   2HD1  ILE  35          HD12      ILE  35 -21.358  -0.747  -3.989
 1072   3HD1  ILE  35          HD13      ILE  35 -20.843  -2.265  -3.252
 1073    H    ASN  36           HN       ASN  36 -19.761  -2.265  -0.517
 1074    HA   ASN  36           HA       ASN  36 -22.003  -0.457  -0.532
 1075   1HB   ASN  36          HB2       ASN  36 -21.226  -2.810   1.174
 1076   2HB   ASN  36          HB1       ASN  36 -22.572  -1.768   1.625
 1077   1HD2  ASN  36          HD21      ASN  36 -24.430  -1.763   0.362
 1078   2HD2  ASN  36          HD22      ASN  36 -24.763  -3.007  -0.791
 1079    H    GLU  37           HN       GLU  37 -19.784  -1.371   2.158
 1080    HA   GLU  37           HA       GLU  37 -20.285   1.196   3.307
 1081   1HB   GLU  37          HB2       GLU  37 -17.922  -0.396   4.150
 1082   2HB   GLU  37          HB1       GLU  37 -18.983   0.617   5.098
 1083   1HG   GLU  37          HG2       GLU  37 -20.793  -1.069   4.624
 1084   2HG   GLU  37          HG1       GLU  37 -19.504  -2.138   4.059
 1085    H    PHE  38           HN       PHE  38 -18.032   0.070   0.918
 1086    HA   PHE  38           HA       PHE  38 -15.956   1.872   1.173
 1087   1HB   PHE  38          HB2       PHE  38 -16.413   0.132  -0.701
 1088   2HB   PHE  38          HB1       PHE  38 -17.322   1.404  -1.488
 1089    HD1  PHE  38           HD1      PHE  38 -15.944   3.731  -1.522
 1090    HD2  PHE  38           HD2      PHE  38 -14.276  -0.175  -1.424
 1091    HE1  PHE  38           HE1      PHE  38 -13.866   4.603  -2.513
 1092    HE2  PHE  38           HE2      PHE  38 -12.190   0.682  -2.411
 1093    HZ   PHE  38           HZ       PHE  38 -11.983   3.076  -2.957
 1094    H    LYS  39           HN       LYS  39 -19.283   2.260   0.168
 1095    HA   LYS  39           HA       LYS  39 -19.207   4.814  -0.909
 1096   1HB   LYS  39          HB2       LYS  39 -21.407   3.405   0.555
 1097   2HB   LYS  39          HB1       LYS  39 -21.629   4.905  -0.341
 1098   1HG   LYS  39          HG2       LYS  39 -21.269   3.878  -2.376
 1099   2HG   LYS  39          HG1       LYS  39 -20.428   2.515  -1.630
 1100   1HD   LYS  39          HD2       LYS  39 -22.450   1.597  -0.809
 1101   2HD   LYS  39          HD1       LYS  39 -23.337   3.089  -1.130
 1102   1HE   LYS  39          HE2       LYS  39 -22.192   1.204  -3.188
 1103   2HE   LYS  39          HE1       LYS  39 -23.895   1.390  -2.776
 1104   1HZ   LYS  39          HZ1       LYS  39 -22.137   3.414  -4.049
 1105   2HZ   LYS  39          HZ2       LYS  39 -23.705   3.736  -3.503
 1106   3HZ   LYS  39          HZ3       LYS  39 -23.457   2.621  -4.750
 1107    H    GLU  40           HN       GLU  40 -18.876   3.794   2.291
 1108    HA   GLU  40           HA       GLU  40 -19.520   6.338   3.449
 1109   1HB   GLU  40          HB2       GLU  40 -19.105   5.352   5.520
 1110   2HB   GLU  40          HB1       GLU  40 -19.642   3.981   4.559
 1111   1HG   GLU  40          HG2       GLU  40 -17.789   2.900   5.064
 1112   2HG   GLU  40          HG1       GLU  40 -16.820   4.154   4.306
 1113    H    LEU  41           HN       LEU  41 -17.065   5.429   1.456
 1114    HA   LEU  41           HA       LEU  41 -14.871   6.499   2.933
 1115   1HB   LEU  41          HB2       LEU  41 -15.072   5.659   0.062
 1116   2HB   LEU  41          HB1       LEU  41 -13.591   6.152   0.846
 1117    HG   LEU  41           HG       LEU  41 -15.045   3.605   0.919
 1118   1HD1  LEU  41          HD11      LEU  41 -12.479   4.597   0.297
 1119   2HD1  LEU  41          HD12      LEU  41 -13.086   2.948   0.139
 1120   3HD1  LEU  41          HD13      LEU  41 -12.298   3.460   1.632
 1121   1HD2  LEU  41          HD21      LEU  41 -14.422   2.951   3.109
 1122   2HD2  LEU  41          HD22      LEU  41 -15.187   4.520   3.305
 1123   3HD2  LEU  41          HD23      LEU  41 -13.430   4.387   3.341
 1124    H    ALA  42           HN       ALA  42 -15.507   7.353  -0.423
 1125    HA   ALA  42           HA       ALA  42 -14.455   9.868  -0.330
 1126   1HB   ALA  42          HB1       ALA  42 -16.181  10.455  -2.128
 1127   2HB   ALA  42          HB2       ALA  42 -16.718   8.787  -1.946
 1128   3HB   ALA  42          HB3       ALA  42 -15.065   9.131  -2.443
 1129    H    THR  43           HN       THR  43 -17.601   8.844   0.678
 1130    HA   THR  43           HA       THR  43 -18.902  11.225   1.037
 1131    HB   THR  43           HB       THR  43 -19.927   9.938   3.103
 1132    HG1  THR  43           HG1      THR  43 -18.800   7.768   1.629
 1133   1HG2  THR  43          HG21      THR  43 -21.346   8.669   1.508
 1134   2HG2  THR  43          HG22      THR  43 -20.213   9.092   0.224
 1135   3HG2  THR  43          HG23      THR  43 -21.122  10.357   1.046
 1136    H    GLN  44           HN       GLN  44 -17.250   9.430   3.603
 1137    HA   GLN  44           HA       GLN  44 -17.044  11.746   5.317
 1138   1HB   GLN  44          HB2       GLN  44 -16.115   8.873   5.496
 1139   2HB   GLN  44          HB1       GLN  44 -15.793  10.059   6.767
 1140   1HG   GLN  44          HG2       GLN  44 -18.228  10.402   7.011
 1141   2HG   GLN  44          HG1       GLN  44 -18.498   9.147   5.800
 1142   1HE2  GLN  44          HE21      GLN  44 -19.643   7.873   7.253
 1143   2HE2  GLN  44          HE22      GLN  44 -18.864   7.004   8.528
 1144    H    GLN  45           HN       GLN  45 -14.948   9.849   3.282
 1145    HA   GLN  45           HA       GLN  45 -12.479  10.945   4.073
 1146   1HB   GLN  45          HB2       GLN  45 -13.392   9.666   1.511
 1147   2HB   GLN  45          HB1       GLN  45 -11.707   9.993   1.913
 1148   1HG   GLN  45          HG2       GLN  45 -12.464   8.587   4.075
 1149   2HG   GLN  45          HG1       GLN  45 -13.527   7.894   2.859
 1150   1HE2  GLN  45          HE21      GLN  45 -11.473   8.457   0.740
 1151   2HE2  GLN  45          HE22      GLN  45 -10.287   7.225   0.939
 1152    H    LEU  46           HN       LEU  46 -15.048  12.027   2.002
 1153    HA   LEU  46           HA       LEU  46 -14.005  13.694   0.195
 1154   1HB   LEU  46          HB2       LEU  46 -16.430  13.836   1.840
 1155   2HB   LEU  46          HB1       LEU  46 -15.855  15.409   1.333
 1156    HG   LEU  46           HG       LEU  46 -16.930  13.181  -0.361
 1157   1HD1  LEU  46          HD11      LEU  46 -18.482  14.838   0.426
 1158   2HD1  LEU  46          HD12      LEU  46 -18.232  15.028  -1.310
 1159   3HD1  LEU  46          HD13      LEU  46 -17.451  16.134  -0.180
 1160   1HD2  LEU  46          HD21      LEU  46 -15.117  15.402  -1.270
 1161   2HD2  LEU  46          HD22      LEU  46 -16.191  14.515  -2.346
 1162   3HD2  LEU  46          HD23      LEU  46 -14.896  13.669  -1.503
 1163    HA   PRO  47           HA       PRO  47 -12.592  17.079   2.973
 1164   1HB   PRO  47          HB2       PRO  47 -13.427  17.445   5.501
 1165   2HB   PRO  47          HB1       PRO  47 -14.414  17.981   4.136
 1166   1HG   PRO  47          HG2       PRO  47 -14.684  15.534   5.836
 1167   2HG   PRO  47          HG1       PRO  47 -15.951  16.603   5.208
 1168   1HD   PRO  47          HD2       PRO  47 -15.257  14.190   4.074
 1169   2HD   PRO  47          HD1       PRO  47 -16.021  15.529   3.197
 1170    H    HIS  48           HN       HIS  48 -10.893  15.762   2.806
 1171    HA   HIS  48           HA       HIS  48  -9.885  14.364   5.136
 1172   1HB   HIS  48          HB2       HIS  48  -9.727  14.168   2.296
 1173   2HB   HIS  48          HB1       HIS  48  -8.088  14.291   2.953
 1174    HD1  HIS  48           HD1      HIS  48 -10.445  11.792   2.099
 1175    HD2  HIS  48           HD2      HIS  48  -7.906  12.354   5.338
 1176    HE1  HIS  48           HE1      HIS  48 -10.200   9.528   3.161
 1177    HE2  HIS  48           HE2      HIS  48  -8.733   9.910   5.171
 1178    H    LEU  49           HN       LEU  49  -7.138  14.769   4.528
 1179    HA   LEU  49           HA       LEU  49  -6.749  17.437   5.544
 1180   1HB   LEU  49          HB2       LEU  49  -4.805  15.254   4.751
 1181   2HB   LEU  49          HB1       LEU  49  -4.300  16.819   5.363
 1182    HG   LEU  49           HG       LEU  49  -5.930  14.767   6.862
 1183   1HD1  LEU  49          HD11      LEU  49  -3.585  14.144   6.605
 1184   2HD1  LEU  49          HD12      LEU  49  -3.955  14.568   8.277
 1185   3HD1  LEU  49          HD13      LEU  49  -3.093  15.711   7.247
 1186   1HD2  LEU  49          HD21      LEU  49  -4.905  17.469   7.723
 1187   2HD2  LEU  49          HD22      LEU  49  -5.654  16.274   8.782
 1188   3HD2  LEU  49          HD23      LEU  49  -6.594  17.015   7.486
 1189    H    LEU  50           HN       LEU  50  -4.833  15.949   2.970
 1190    HA   LEU  50           HA       LEU  50  -5.129  18.336   1.338
 1191   1HB   LEU  50          HB2       LEU  50  -3.325  17.579   0.048
 1192   2HB   LEU  50          HB1       LEU  50  -2.913  17.123   1.686
 1193    HG   LEU  50           HG       LEU  50  -3.737  15.348  -0.594
 1194   1HD1  LEU  50          HD11      LEU  50  -1.440  15.627  -0.590
 1195   2HD1  LEU  50          HD12      LEU  50  -1.670  14.137   0.326
 1196   3HD1  LEU  50          HD13      LEU  50  -1.347  15.649   1.171
 1197   1HD2  LEU  50          HD21      LEU  50  -3.511  14.486   2.279
 1198   2HD2  LEU  50          HD22      LEU  50  -3.944  13.492   0.890
 1199   3HD2  LEU  50          HD23      LEU  50  -5.039  14.754   1.449
 1200    H    LYS  51           HN       LYS  51  -7.531  17.337   1.538
 1201    HA   LYS  51           HA       LYS  51  -8.512  15.255   0.223
 1202   1HB   LYS  51          HB2       LYS  51  -9.968  16.606   1.418
 1203   2HB   LYS  51          HB1       LYS  51  -9.590  18.029   0.465
 1204   1HG   LYS  51          HG2       LYS  51 -10.744  16.975  -1.452
 1205   2HG   LYS  51          HG1       LYS  51 -11.212  15.617  -0.394
 1206   1HD   LYS  51          HD2       LYS  51 -12.162  17.466   1.148
 1207   2HD   LYS  51          HD1       LYS  51 -12.012  18.534  -0.242
 1208   1HE   LYS  51          HE2       LYS  51 -13.559  17.261  -1.494
 1209   2HE   LYS  51          HE1       LYS  51 -13.528  15.937  -0.329
 1210   1HZ   LYS  51          HZ1       LYS  51 -14.572  17.403   1.287
 1211   2HZ   LYS  51          HZ2       LYS  51 -15.526  17.267  -0.103
 1212   3HZ   LYS  51          HZ3       LYS  51 -14.606  18.662   0.157
 1213    H    ASP  52           HN       ASP  52  -9.473  14.811  -1.722
 1214    HA   ASP  52           HA       ASP  52  -8.209  16.132  -4.031
 1215   1HB   ASP  52          HB2       ASP  52  -7.418  13.847  -3.761
 1216   2HB   ASP  52          HB1       ASP  52  -9.074  13.249  -3.688
 1217    H    VAL  53           HN       VAL  53 -11.143  15.419  -2.485
 1218    HA   VAL  53           HA       VAL  53 -13.242  16.065  -2.882
 1219    HB   VAL  53           HB       VAL  53 -12.151  17.102  -5.459
 1220   1HG1  VAL  53          HG11      VAL  53 -14.245  18.403  -5.617
 1221   2HG1  VAL  53          HG12      VAL  53 -14.863  17.520  -4.221
 1222   3HG1  VAL  53          HG13      VAL  53 -14.520  16.664  -5.724
 1223   1HG2  VAL  53          HG21      VAL  53 -12.287  19.289  -4.400
 1224   2HG2  VAL  53          HG22      VAL  53 -11.249  18.202  -3.479
 1225   3HG2  VAL  53          HG23      VAL  53 -12.889  18.534  -2.923
 1226    H    GLY  54           HN       GLY  54 -13.441  13.769  -2.819
 1227   1HA   GLY  54          HA2       GLY  54 -13.594  11.999  -4.898
 1228   2HA   GLY  54          HA1       GLY  54 -14.703  11.967  -3.539
 1229    H    SER  55           HN       SER  55 -14.257  12.799  -6.850
 1230    HA   SER  55           HA       SER  55 -16.485  14.388  -7.333
 1231   1HB   SER  55          HB2       SER  55 -14.587  13.815  -8.897
 1232   2HB   SER  55          HB1       SER  55 -15.417  12.292  -9.222
 1233    HG   SER  55           HG       SER  55 -16.435  14.906  -9.673
 1234    H    LEU  56           HN       LEU  56 -18.618  14.012  -7.543
 1235    HA   LEU  56           HA       LEU  56 -19.891  11.922  -6.345
 1236   1HB   LEU  56          HB2       LEU  56 -20.771  13.725  -8.579
 1237   2HB   LEU  56          HB1       LEU  56 -21.841  12.488  -7.948
 1238    HG   LEU  56           HG       LEU  56 -21.650  13.523  -5.696
 1239   1HD1  LEU  56          HD11      LEU  56 -20.743  15.803  -5.539
 1240   2HD1  LEU  56          HD12      LEU  56 -20.135  15.658  -7.188
 1241   3HD1  LEU  56          HD13      LEU  56 -19.504  14.609  -5.920
 1242   1HD2  LEU  56          HD21      LEU  56 -23.545  14.051  -7.094
 1243   2HD2  LEU  56          HD22      LEU  56 -22.622  15.302  -7.926
 1244   3HD2  LEU  56          HD23      LEU  56 -23.034  15.497  -6.222
 1245    H    ASP  57           HN       ASP  57 -19.259  12.182  -9.838
 1246    HA   ASP  57           HA       ASP  57 -20.309   9.665 -10.494
 1247   1HB   ASP  57          HB2       ASP  57 -18.698   9.885 -12.499
 1248   2HB   ASP  57          HB1       ASP  57 -20.041  11.019 -12.362
 1249    H    GLU  58           HN       GLU  58 -17.075  10.721  -9.899
 1250    HA   GLU  58           HA       GLU  58 -15.645   8.405 -10.358
 1251   1HB   GLU  58          HB2       GLU  58 -14.635  10.621  -9.814
 1252   2HB   GLU  58          HB1       GLU  58 -15.114  10.393  -8.134
 1253   1HG   GLU  58          HG2       GLU  58 -13.697   8.403  -8.009
 1254   2HG   GLU  58          HG1       GLU  58 -13.211   8.647  -9.687
 1255    H    LYS  59           HN       LYS  59 -17.330   9.482  -7.466
 1256    HA   LYS  59           HA       LYS  59 -16.662   7.303  -5.852
 1257   1HB   LYS  59          HB2       LYS  59 -19.098   9.081  -5.747
 1258   2HB   LYS  59          HB1       LYS  59 -18.580   7.991  -4.457
 1259   1HG   LYS  59          HG2       LYS  59 -16.731   9.272  -3.947
 1260   2HG   LYS  59          HG1       LYS  59 -16.711  10.071  -5.515
 1261   1HD   LYS  59          HD2       LYS  59 -17.428  11.584  -3.739
 1262   2HD   LYS  59          HD1       LYS  59 -18.715  11.320  -4.918
 1263   1HE   LYS  59          HE2       LYS  59 -19.591   9.537  -3.342
 1264   2HE   LYS  59          HE1       LYS  59 -18.453  10.169  -2.153
 1265   1HZ   LYS  59          HZ1       LYS  59 -20.608  11.734  -3.464
 1266   2HZ   LYS  59          HZ2       LYS  59 -19.527  12.318  -2.302
 1267   3HZ   LYS  59          HZ3       LYS  59 -20.655  11.129  -1.884
 1268    H    MET  60           HN       MET  60 -18.996   7.733  -8.354
 1269    HA   MET  60           HA       MET  60 -20.513   5.373  -7.659
 1270   1HB   MET  60          HB2       MET  60 -20.583   7.167 -10.089
 1271   2HB   MET  60          HB1       MET  60 -21.686   5.822  -9.820
 1272   1HG   MET  60          HG2       MET  60 -22.513   6.900  -7.794
 1273   2HG   MET  60          HG1       MET  60 -21.403   8.243  -8.054
 1274   1HE   MET  60          HE1       MET  60 -24.828   7.223 -10.972
 1275   2HE   MET  60          HE2       MET  60 -24.580   6.346  -9.462
 1276   3HE   MET  60          HE3       MET  60 -23.382   6.239 -10.751
 1277    H    LYS  61           HN       LYS  61 -18.094   6.251 -10.062
 1278    HA   LYS  61           HA       LYS  61 -18.193   3.731 -11.439
 1279   1HB   LYS  61          HB2       LYS  61 -15.641   5.117 -11.695
 1280   2HB   LYS  61          HB1       LYS  61 -16.800   4.664 -12.931
 1281   1HG   LYS  61          HG2       LYS  61 -16.899   7.141 -11.227
 1282   2HG   LYS  61          HG1       LYS  61 -16.401   7.053 -12.917
 1283   1HD   LYS  61          HD2       LYS  61 -19.147   6.486 -11.803
 1284   2HD   LYS  61          HD1       LYS  61 -18.671   7.832 -12.838
 1285   1HE   LYS  61          HE2       LYS  61 -18.131   6.250 -14.632
 1286   2HE   LYS  61          HE1       LYS  61 -18.631   4.912 -13.596
 1287   1HZ   LYS  61          HZ1       LYS  61 -20.388   5.512 -15.116
 1288   2HZ   LYS  61          HZ2       LYS  61 -20.372   7.112 -14.569
 1289   3HZ   LYS  61          HZ3       LYS  61 -20.863   5.869 -13.532
 1290    H    THR  62           HN       THR  62 -15.956   5.216  -9.166
 1291    HA   THR  62           HA       THR  62 -14.036   3.302  -8.977
 1292    HB   THR  62           HB       THR  62 -15.194   4.849  -6.661
 1293    HG1  THR  62           HG1      THR  62 -14.422   6.105  -8.484
 1294   1HG2  THR  62          HG21      THR  62 -12.620   3.337  -7.031
 1295   2HG2  THR  62          HG22      THR  62 -13.811   3.161  -5.742
 1296   3HG2  THR  62          HG23      THR  62 -12.796   4.602  -5.817
 1297    H    LEU  63           HN       LEU  63 -17.311   3.121  -7.809
 1298    HA   LEU  63           HA       LEU  63 -17.133   1.078  -5.954
 1299   1HB   LEU  63          HB2       LEU  63 -19.243   1.835  -7.930
 1300   2HB   LEU  63          HB1       LEU  63 -19.398   0.332  -7.050
 1301    HG   LEU  63           HG       LEU  63 -18.889   2.202  -5.061
 1302   1HD1  LEU  63          HD11      LEU  63 -19.411   3.814  -7.060
 1303   2HD1  LEU  63          HD12      LEU  63 -20.069   4.120  -5.453
 1304   3HD1  LEU  63          HD13      LEU  63 -21.079   3.376  -6.693
 1305   1HD2  LEU  63          HD21      LEU  63 -21.686   1.901  -5.323
 1306   2HD2  LEU  63          HD22      LEU  63 -20.592   1.018  -4.261
 1307   3HD2  LEU  63          HD23      LEU  63 -20.948   0.397  -5.872
 1308    H    ASP  64           HN       ASP  64 -18.458   0.295  -9.135
 1309    HA   ASP  64           HA       ASP  64 -17.783  -2.375  -9.120
 1310   1HB   ASP  64          HB2       ASP  64 -19.321  -1.600 -10.757
 1311   2HB   ASP  64          HB1       ASP  64 -18.154  -0.461 -11.421
 1312    H    VAL  65           HN       VAL  65 -15.806   0.385 -10.050
 1313    HA   VAL  65           HA       VAL  65 -13.690  -0.929 -11.294
 1314    HB   VAL  65           HB       VAL  65 -13.563   1.473  -9.449
 1315   1HG1  VAL  65          HG11      VAL  65 -11.542   0.556 -11.492
 1316   2HG1  VAL  65          HG12      VAL  65 -11.375   0.353  -9.749
 1317   3HG1  VAL  65          HG13      VAL  65 -11.422   1.973 -10.447
 1318   1HG2  VAL  65          HG21      VAL  65 -13.499   1.487 -12.452
 1319   2HG2  VAL  65          HG22      VAL  65 -13.806   2.829 -11.349
 1320   3HG2  VAL  65          HG23      VAL  65 -15.013   1.560 -11.553
 1321    H    ASN  66           HN       ASN  66 -13.498   0.249  -7.941
 1322    HA   ASN  66           HA       ASN  66 -11.765  -1.958  -7.235
 1323   1HB   ASN  66          HB2       ASN  66 -12.861  -0.030  -5.241
 1324   2HB   ASN  66          HB1       ASN  66 -11.298  -0.848  -5.283
 1325   1HD2  ASN  66          HD21      ASN  66 -11.698   1.921  -4.849
 1326   2HD2  ASN  66          HD22      ASN  66 -10.933   2.768  -6.145
 1327    H    GLN  67           HN       GLN  67 -14.504  -2.649  -7.920
 1328    HA   GLN  67           HA       GLN  67 -16.336  -3.066  -6.023
 1329   1HB   GLN  67          HB2       GLN  67 -17.012  -3.966  -7.982
 1330   2HB   GLN  67          HB1       GLN  67 -15.398  -4.468  -8.421
 1331   1HG   GLN  67          HG2       GLN  67 -16.587  -6.081  -6.300
 1332   2HG   GLN  67          HG1       GLN  67 -17.502  -6.096  -7.794
 1333   1HE2  GLN  67          HE21      GLN  67 -14.081  -5.624  -8.166
 1334   2HE2  GLN  67          HE22      GLN  67 -13.705  -7.242  -8.623
 1335    H    ASP  68           HN       ASP  68 -13.683  -5.326  -6.589
 1336    HA   ASP  68           HA       ASP  68 -14.067  -6.625  -4.022
 1337   1HB   ASP  68          HB2       ASP  68 -12.364  -7.230  -6.450
 1338   2HB   ASP  68          HB1       ASP  68 -12.185  -8.098  -4.927
 1339    H    SER  69           HN       SER  69 -13.022  -3.782  -4.355
 1340    HA   SER  69           HA       SER  69 -10.363  -3.333  -4.249
 1341   1HB   SER  69          HB2       SER  69 -10.754  -1.574  -2.557
 1342   2HB   SER  69          HB1       SER  69 -12.043  -1.562  -3.752
 1343    HG   SER  69           HG       SER  69 -13.436  -2.262  -2.298
 1344    H    GLU  70           HN       GLU  70 -12.361  -4.714  -1.796
 1345    HA   GLU  70           HA       GLU  70  -9.963  -5.787  -0.506
 1346   1HB   GLU  70          HB2       GLU  70 -10.856  -4.204   1.069
 1347   2HB   GLU  70          HB1       GLU  70 -12.473  -4.847   0.838
 1348   1HG   GLU  70          HG2       GLU  70 -11.925  -6.905   1.852
 1349   2HG   GLU  70          HG1       GLU  70 -10.207  -6.507   1.869
 1350    H    LEU  71           HN       LEU  71 -10.259  -7.778   0.503
 1351    HA   LEU  71           HA       LEU  71 -12.644  -9.171  -0.072
 1352   1HB   LEU  71          HB2       LEU  71 -11.311 -11.020  -1.115
 1353   2HB   LEU  71          HB1       LEU  71 -11.675  -9.592  -2.076
 1354    HG   LEU  71           HG       LEU  71  -9.367 -10.417  -2.284
 1355   1HD1  LEU  71          HD11      LEU  71  -9.108  -7.740  -1.040
 1356   2HD1  LEU  71          HD12      LEU  71 -10.247  -7.898  -2.370
 1357   3HD1  LEU  71          HD13      LEU  71  -8.558  -8.261  -2.610
 1358   1HD2  LEU  71          HD21      LEU  71  -8.704  -9.328   0.363
 1359   2HD2  LEU  71          HD22      LEU  71  -7.858 -10.505  -0.640
 1360   3HD2  LEU  71          HD23      LEU  71  -9.305 -10.980   0.220
 1361    H    ARG  72           HN       ARG  72 -12.559 -11.393   0.610
 1362    HA   ARG  72           HA       ARG  72 -11.197 -11.666   3.179
 1363   1HB   ARG  72          HB2       ARG  72 -13.458 -13.249   2.022
 1364   2HB   ARG  72          HB1       ARG  72 -12.994 -13.158   3.723
 1365   1HG   ARG  72          HG2       ARG  72 -14.375 -11.114   2.016
 1366   2HG   ARG  72          HG1       ARG  72 -14.946 -11.856   3.513
 1367   1HD   ARG  72          HD2       ARG  72 -12.704  -9.865   3.190
 1368   2HD   ARG  72          HD1       ARG  72 -14.264  -9.599   3.972
 1369    HE   ARG  72           HE       ARG  72 -13.221 -11.631   5.404
 1370   1HH1  ARG  72          HH11      ARG  72 -11.975  -8.528   4.436
 1371   2HH1  ARG  72          HH12      ARG  72 -10.974  -8.346   5.838
 1372   1HH2  ARG  72          HH21      ARG  72 -11.906 -11.404   7.256
 1373   2HH2  ARG  72          HH22      ARG  72 -10.935  -9.982   7.442
 1374    H    PHE  73           HN       PHE  73 -11.572 -12.934  -0.037
 1375    HA   PHE  73           HA       PHE  73 -10.064 -15.311   0.613
 1376   1HB   PHE  73          HB2       PHE  73 -10.692 -16.047  -1.730
 1377   2HB   PHE  73          HB1       PHE  73 -11.953 -15.937  -0.543
 1378    HD1  PHE  73           HD1      PHE  73 -11.016 -12.722  -1.812
 1379    HD2  PHE  73           HD2      PHE  73 -13.375 -16.171  -2.595
 1380    HE1  PHE  73           HE1      PHE  73 -12.401 -11.422  -3.339
 1381    HE2  PHE  73           HE2      PHE  73 -14.750 -14.877  -4.162
 1382    HZ   PHE  73           HZ       PHE  73 -14.260 -12.499  -4.547
 1383    H    SER  74           HN       SER  74  -9.799 -14.400  -2.690
 1384    HA   SER  74           HA       SER  74  -6.961 -13.936  -2.189
 1385   1HB   SER  74          HB2       SER  74  -6.720 -14.985  -4.601
 1386   2HB   SER  74          HB1       SER  74  -6.739 -15.994  -3.156
 1387    HG   SER  74           HG       SER  74  -8.226 -16.909  -4.458
 1388    H    GLU  75           HN       GLU  75  -9.542 -12.390  -3.151
 1389    HA   GLU  75           HA       GLU  75  -8.683 -11.149  -5.568
 1390   1HB   GLU  75          HB2       GLU  75 -10.721 -10.705  -3.459
 1391   2HB   GLU  75          HB1       GLU  75 -10.364  -9.354  -4.528
 1392   1HG   GLU  75          HG2       GLU  75 -11.260 -12.083  -5.365
 1393   2HG   GLU  75          HG1       GLU  75 -12.315 -10.688  -5.130
 1394    H    TYR  76           HN       TYR  76  -7.403 -11.063  -2.468
 1395    HA   TYR  76           HA       TYR  76  -7.042  -8.654  -1.562
 1396   1HB   TYR  76          HB2       TYR  76  -5.491 -11.050  -1.473
 1397   2HB   TYR  76          HB1       TYR  76  -4.453  -9.627  -1.335
 1398    HD1  TYR  76           HD1      TYR  76  -5.267 -11.883   0.716
 1399    HD2  TYR  76           HD2      TYR  76  -6.527  -7.861   0.138
 1400    HE1  TYR  76           HE1      TYR  76  -5.992 -11.776   3.048
 1401    HE2  TYR  76           HE2      TYR  76  -7.255  -7.752   2.465
 1402    HH   TYR  76           HH       TYR  76  -7.929  -9.275   4.268
 1403    H    TRP  77           HN       TRP  77  -5.613  -9.730  -4.536
 1404    HA   TRP  77           HA       TRP  77  -3.655  -7.776  -4.899
 1405   1HB   TRP  77          HB2       TRP  77  -3.970  -8.129  -7.297
 1406   2HB   TRP  77          HB1       TRP  77  -4.043  -9.673  -6.447
 1407    HD1  TRP  77           HD1      TRP  77  -6.627  -6.995  -7.604
 1408    HE1  TRP  77           HE1      TRP  77  -8.672  -8.245  -8.496
 1409    HE3  TRP  77           HE3      TRP  77  -5.126 -11.790  -6.693
 1410    HZ2  TRP  77           HZ2      TRP  77  -9.564 -10.920  -8.771
 1411    HZ3  TRP  77           HZ3      TRP  77  -6.635 -13.635  -7.268
 1412    HH2  TRP  77           HH2      TRP  77  -8.812 -13.211  -8.289
 1413    H    ARG  78           HN       ARG  78  -7.072  -7.435  -4.716
 1414    HA   ARG  78           HA       ARG  78  -7.343  -5.114  -6.226
 1415   1HB   ARG  78          HB2       ARG  78  -9.048  -6.458  -4.148
 1416   2HB   ARG  78          HB1       ARG  78  -9.527  -4.916  -4.863
 1417   1HG   ARG  78          HG2       ARG  78  -8.939  -7.408  -6.434
 1418   2HG   ARG  78          HG1       ARG  78 -10.547  -6.900  -5.916
 1419   1HD   ARG  78          HD2       ARG  78 -10.358  -4.862  -7.200
 1420   2HD   ARG  78          HD1       ARG  78  -8.698  -5.262  -7.646
 1421    HE   ARG  78           HE       ARG  78 -10.397  -7.346  -8.457
 1422   1HH1  ARG  78          HH11      ARG  78  -9.669  -4.028  -9.227
 1423   2HH1  ARG  78          HH12      ARG  78 -10.115  -4.182 -10.894
 1424   1HH2  ARG  78          HH21      ARG  78 -10.984  -7.560 -10.648
 1425   2HH2  ARG  78          HH22      ARG  78 -10.864  -6.191 -11.701
 1426    H    LEU  79           HN       LEU  79  -6.845  -5.699  -2.750
 1427    HA   LEU  79           HA       LEU  79  -6.819  -2.950  -2.030
 1428   1HB   LEU  79          HB2       LEU  79  -5.433  -5.249  -0.658
 1429   2HB   LEU  79          HB1       LEU  79  -5.751  -3.672   0.041
 1430    HG   LEU  79           HG       LEU  79  -7.956  -5.504  -0.871
 1431   1HD1  LEU  79          HD11      LEU  79  -7.389  -5.178   2.006
 1432   2HD1  LEU  79          HD12      LEU  79  -6.279  -6.202   1.098
 1433   3HD1  LEU  79          HD13      LEU  79  -8.004  -6.572   1.118
 1434   1HD2  LEU  79          HD21      LEU  79  -8.392  -3.594   1.304
 1435   2HD2  LEU  79          HD22      LEU  79  -9.375  -3.929  -0.112
 1436   3HD2  LEU  79          HD23      LEU  79  -7.999  -2.839  -0.238
 1437    H    ILE  80           HN       ILE  80  -4.651  -4.828  -3.773
 1438    HA   ILE  80           HA       ILE  80  -2.169  -3.949  -3.024
 1439    HB   ILE  80           HB       ILE  80  -3.063  -5.595  -4.927
 1440   1HG1  ILE  80          HG12      ILE  80  -0.416  -4.173  -5.227
 1441   2HG1  ILE  80          HG11      ILE  80  -0.746  -5.361  -3.969
 1442   1HG2  ILE  80          HG21      ILE  80  -3.875  -3.887  -6.447
 1443   2HG2  ILE  80          HG22      ILE  80  -2.517  -4.747  -7.167
 1444   3HG2  ILE  80          HG23      ILE  80  -2.282  -3.135  -6.493
 1445   1HD1  ILE  80          HD11      ILE  80   0.462  -6.290  -5.901
 1446   2HD1  ILE  80          HD12      ILE  80  -0.919  -5.891  -6.924
 1447   3HD1  ILE  80          HD13      ILE  80  -1.096  -7.070  -5.624
 1448    H    GLY  81           HN       GLY  81  -4.362  -2.396  -5.382
 1449   1HA   GLY  81          HA2       GLY  81  -2.664  -0.059  -5.554
 1450   2HA   GLY  81          HA1       GLY  81  -4.199  -0.299  -6.375
 1451    H    GLU  82           HN       GLU  82  -4.823  -1.075  -3.250
 1452    HA   GLU  82           HA       GLU  82  -6.199   1.395  -2.760
 1453   1HB   GLU  82          HB2       GLU  82  -5.913  -1.132  -1.239
 1454   2HB   GLU  82          HB1       GLU  82  -6.894   0.204  -0.673
 1455   1HG   GLU  82          HG2       GLU  82  -7.307  -1.439  -3.158
 1456   2HG   GLU  82          HG1       GLU  82  -8.342  -1.373  -1.732
 1457    H    LEU  83           HN       LEU  83  -3.805  -0.538  -1.020
 1458    HA   LEU  83           HA       LEU  83  -3.252   1.243   1.053
 1459   1HB   LEU  83          HB2       LEU  83  -1.528  -0.817  -0.340
 1460   2HB   LEU  83          HB1       LEU  83  -0.958   0.108   1.038
 1461    HG   LEU  83           HG       LEU  83  -2.930  -0.837   2.328
 1462   1HD1  LEU  83          HD11      LEU  83  -3.804  -2.989   1.441
 1463   2HD1  LEU  83          HD12      LEU  83  -3.048  -2.604  -0.103
 1464   3HD1  LEU  83          HD13      LEU  83  -4.328  -1.571   0.534
 1465   1HD2  LEU  83          HD21      LEU  83  -0.744  -1.656   2.779
 1466   2HD2  LEU  83          HD22      LEU  83  -0.729  -2.608   1.295
 1467   3HD2  LEU  83          HD23      LEU  83  -1.800  -3.061   2.620
 1468    H    ALA  84           HN       ALA  84  -2.522   1.414  -2.299
 1469    HA   ALA  84           HA       ALA  84  -0.416   3.307  -1.945
 1470   1HB   ALA  84          HB1       ALA  84  -1.819   2.082  -4.182
 1471   2HB   ALA  84          HB2       ALA  84  -0.119   2.530  -4.017
 1472   3HB   ALA  84          HB3       ALA  84  -1.315   3.744  -4.475
 1473    H    LYS  85           HN       LYS  85  -3.875   3.497  -2.486
 1474    HA   LYS  85           HA       LYS  85  -4.291   6.129  -3.158
 1475   1HB   LYS  85          HB2       LYS  85  -5.995   4.689  -1.167
 1476   2HB   LYS  85          HB1       LYS  85  -6.487   5.931  -2.308
 1477   1HG   LYS  85          HG2       LYS  85  -5.897   4.371  -4.159
 1478   2HG   LYS  85          HG1       LYS  85  -5.623   3.127  -2.956
 1479   1HD   LYS  85          HD2       LYS  85  -8.177   4.390  -3.820
 1480   2HD   LYS  85          HD1       LYS  85  -7.777   2.685  -3.662
 1481   1HE   LYS  85          HE2       LYS  85  -8.213   4.629  -1.396
 1482   2HE   LYS  85          HE1       LYS  85  -9.332   3.368  -1.919
 1483   1HZ   LYS  85          HZ1       LYS  85  -7.997   1.720  -1.078
 1484   2HZ   LYS  85          HZ2       LYS  85  -7.768   2.941   0.068
 1485   3HZ   LYS  85          HZ3       LYS  85  -6.594   2.661  -1.115
 1486    H    GLU  86           HN       GLU  86  -3.144   4.910  -0.189
 1487    HA   GLU  86           HA       GLU  86  -3.575   7.398   1.174
 1488   1HB   GLU  86          HB2       GLU  86  -2.138   6.289   2.951
 1489   2HB   GLU  86          HB1       GLU  86  -3.677   5.518   2.590
 1490   1HG   GLU  86          HG2       GLU  86  -2.649   3.798   1.405
 1491   2HG   GLU  86          HG1       GLU  86  -1.095   4.627   1.383
 1492    H    VAL  87           HN       VAL  87  -0.750   5.663  -0.168
 1493    HA   VAL  87           HA       VAL  87   1.010   7.847   0.502
 1494    HB   VAL  87           HB       VAL  87   1.811   5.486  -1.181
 1495   1HG1  VAL  87          HG11      VAL  87   3.558   6.979  -1.181
 1496   2HG1  VAL  87          HG12      VAL  87   3.935   6.012   0.245
 1497   3HG1  VAL  87          HG13      VAL  87   3.180   7.593   0.427
 1498   1HG2  VAL  87          HG21      VAL  87   0.742   4.550   0.755
 1499   2HG2  VAL  87          HG22      VAL  87   1.582   5.678   1.820
 1500   3HG2  VAL  87          HG23      VAL  87   2.489   4.430   0.967
 1501    H    ARG  88           HN       ARG  88  -1.145   7.589  -1.947
 1502    HA   ARG  88           HA       ARG  88   0.575   8.508  -4.075
 1503   1HB   ARG  88          HB2       ARG  88  -1.471   7.088  -4.444
 1504   2HB   ARG  88          HB1       ARG  88  -2.438   8.504  -4.056
 1505   1HG   ARG  88          HG2       ARG  88  -1.482   9.706  -5.934
 1506   2HG   ARG  88          HG1       ARG  88  -0.452   8.325  -6.311
 1507   1HD   ARG  88          HD2       ARG  88  -2.324   8.272  -7.791
 1508   2HD   ARG  88          HD1       ARG  88  -2.515   6.963  -6.627
 1509    HE   ARG  88           HE       ARG  88  -3.868   9.255  -5.702
 1510   1HH1  ARG  88          HH11      ARG  88  -4.075   6.784  -8.146
 1511   2HH1  ARG  88          HH12      ARG  88  -5.799   6.873  -8.278
 1512   1HH2  ARG  88          HH21      ARG  88  -6.145   9.390  -5.877
 1513   2HH2  ARG  88          HH22      ARG  88  -6.976   8.352  -6.986
 1514    H    LYS  89           HN       LYS  89  -2.078   9.985  -2.234
 1515    HA   LYS  89           HA       LYS  89  -1.562  12.606  -3.347
 1516   1HB   LYS  89          HB2       LYS  89  -3.268  13.285  -1.574
 1517   2HB   LYS  89          HB1       LYS  89  -3.835  12.219  -2.846
 1518   1HG   LYS  89          HG2       LYS  89  -2.828  10.685  -0.580
 1519   2HG   LYS  89          HG1       LYS  89  -4.072  11.854  -0.106
 1520   1HD   LYS  89          HD2       LYS  89  -4.980   9.635  -0.789
 1521   2HD   LYS  89          HD1       LYS  89  -5.638  11.011  -1.652
 1522   1HE   LYS  89          HE2       LYS  89  -3.977  10.484  -3.491
 1523   2HE   LYS  89          HE1       LYS  89  -3.640   8.988  -2.633
 1524   1HZ   LYS  89          HZ1       LYS  89  -5.256   8.604  -4.342
 1525   2HZ   LYS  89          HZ2       LYS  89  -6.263   9.822  -3.737
 1526   3HZ   LYS  89          HZ3       LYS  89  -5.999   8.416  -2.834
 1527    H    GLU  90           HN       GLU  90  -0.991  10.824  -0.455
 1528    HA   GLU  90           HA       GLU  90  -0.198  12.892   1.245
 1529   1HB   GLU  90          HB2       GLU  90   0.282   9.938   1.125
 1530   2HB   GLU  90          HB1       GLU  90   0.900  10.926   2.455
 1531   1HG   GLU  90          HG2       GLU  90  -1.991  10.685   1.612
 1532   2HG   GLU  90          HG1       GLU  90  -1.237   9.845   2.985
 1533    H    LYS  91           HN       LYS  91   1.323  11.597  -1.503
 1534    HA   LYS  91           HA       LYS  91   3.990  11.812  -0.717
 1535   1HB   LYS  91          HB2       LYS  91   4.546  11.610  -3.038
 1536   2HB   LYS  91          HB1       LYS  91   3.131  10.605  -2.760
 1537   1HG   LYS  91          HG2       LYS  91   1.739  12.532  -3.582
 1538   2HG   LYS  91          HG1       LYS  91   3.245  13.308  -4.068
 1539   1HD   LYS  91          HD2       LYS  91   3.762  11.319  -5.446
 1540   2HD   LYS  91          HD1       LYS  91   2.174  10.666  -5.045
 1541   1HE   LYS  91          HE2       LYS  91   2.124  11.759  -7.217
 1542   2HE   LYS  91          HE1       LYS  91   1.121  12.633  -6.061
 1543   1HZ   LYS  91          HZ1       LYS  91   2.469  14.131  -7.401
 1544   2HZ   LYS  91          HZ2       LYS  91   3.883  13.384  -6.852
 1545   3HZ   LYS  91          HZ3       LYS  91   2.901  14.232  -5.768
 1546    H    ALA  92           HN       ALA  92   1.889  14.086  -2.439
 1547    HA   ALA  92           HA       ALA  92   3.778  16.112  -2.777
 1548   1HB   ALA  92          HB1       ALA  92   0.878  16.640  -2.175
 1549   2HB   ALA  92          HB2       ALA  92   1.431  16.007  -3.725
 1550   3HB   ALA  92          HB3       ALA  92   1.981  17.590  -3.172
 1551    H    LEU  93           HN       LEU  93   2.207  14.987   0.071
 1552    HA   LEU  93           HA       LEU  93   2.888  17.318   1.623
 1553   1HB   LEU  93          HB2       LEU  93   0.957  15.909   2.244
 1554   2HB   LEU  93          HB1       LEU  93   2.054  14.560   2.522
 1555    HG   LEU  93           HG       LEU  93   2.841  16.932   4.008
 1556   1HD1  LEU  93          HD11      LEU  93   0.135  15.738   4.610
 1557   2HD1  LEU  93          HD12      LEU  93   0.444  17.376   4.037
 1558   3HD1  LEU  93          HD13      LEU  93   1.011  16.877   5.631
 1559   1HD2  LEU  93          HD21      LEU  93   3.725  14.699   4.415
 1560   2HD2  LEU  93          HD22      LEU  93   2.114  14.123   4.836
 1561   3HD2  LEU  93          HD23      LEU  93   2.913  15.324   5.850
 1562    H    GLY  94           HN       GLY  94   4.171  14.174   0.850
 1563   1HA   GLY  94          HA2       GLY  94   6.093  13.666   2.690
 1564   2HA   GLY  94          HA1       GLY  94   6.342  13.397   0.965
 1565    H    ILE  95           HN       ILE  95   6.176  16.175   0.245
 1566    HA   ILE  95           HA       ILE  95   8.892  16.887   0.715
 1567    HB   ILE  95           HB       ILE  95   8.252  19.004  -0.504
 1568   1HG1  ILE  95          HG12      ILE  95   5.747  17.519  -1.204
 1569   2HG1  ILE  95          HG11      ILE  95   5.765  18.680   0.120
 1570   1HG2  ILE  95          HG21      ILE  95   9.346  17.368  -1.679
 1571   2HG2  ILE  95          HG22      ILE  95   7.912  17.713  -2.650
 1572   3HG2  ILE  95          HG23      ILE  95   7.959  16.286  -1.617
 1573   1HD1  ILE  95          HD11      ILE  95   4.936  19.679  -1.934
 1574   2HD1  ILE  95          HD12      ILE  95   6.442  19.266  -2.754
 1575   3HD1  ILE  95          HD13      ILE  95   6.449  20.432  -1.431
 1576    H    ARG  96           HN       ARG  96   8.120  16.769   3.190
 1577    HA   ARG  96           HA       ARG  96   6.913  19.026   4.309
 1578   1HB   ARG  96          HB2       ARG  96   8.815  16.951   5.351
 1579   2HB   ARG  96          HB1       ARG  96   8.370  18.332   6.349
 1580   1HG   ARG  96          HG2       ARG  96   6.287  16.616   5.058
 1581   2HG   ARG  96          HG1       ARG  96   7.021  16.174   6.607
 1582   1HD   ARG  96          HD2       ARG  96   6.285  18.225   7.610
 1583   2HD   ARG  96          HD1       ARG  96   5.727  18.836   6.056
 1584    HE   ARG  96           HE       ARG  96   3.814  17.566   6.265
 1585   1HH1  ARG  96          HH11      ARG  96   6.117  16.646   8.715
 1586   2HH1  ARG  96          HH12      ARG  96   4.973  15.716   9.623
 1587   1HH2  ARG  96          HH21      ARG  96   2.301  16.344   7.457
 1588   2HH2  ARG  96          HH22      ARG  96   2.805  15.542   8.907
 1589    H    LYS  97           HN       LYS  97   9.980  18.526   2.861
 1590    HA   LYS  97           HA       LYS  97  11.103  20.933   4.010
 1591   1HB   LYS  97          HB2       LYS  97  12.784  20.074   1.929
 1592   2HB   LYS  97          HB1       LYS  97  13.052  19.888   3.653
 1593   1HG   LYS  97          HG2       LYS  97  11.569  17.895   1.951
 1594   2HG   LYS  97          HG1       LYS  97  13.286  17.792   2.341
 1595   1HD   LYS  97          HD2       LYS  97  12.899  17.202   4.506
 1596   2HD   LYS  97          HD1       LYS  97  11.406  18.136   4.607
 1597   1HE   LYS  97          HE2       LYS  97  10.158  16.466   3.535
 1598   2HE   LYS  97          HE1       LYS  97  11.598  15.651   2.934
 1599   1HZ   LYS  97          HZ1       LYS  97  10.634  14.440   4.773
 1600   2HZ   LYS  97          HZ2       LYS  97  10.730  15.800   5.772
 1601   3HZ   LYS  97          HZ3       LYS  97  12.145  15.051   5.227
 1602    H    LYS  98           HN       LYS  98   9.546  22.371   3.208
 1603    HA   LYS  98           HA       LYS  98   9.581  22.786   0.301
 1604   1HB   LYS  98          HB2       LYS  98   7.661  23.915   2.346
 1605   2HB   LYS  98          HB1       LYS  98   7.523  24.052   0.600
 1606   1HG   LYS  98          HG2       LYS  98   7.361  21.533   0.528
 1607   2HG   LYS  98          HG1       LYS  98   7.219  21.582   2.286
 1608   1HD   LYS  98          HD2       LYS  98   5.234  22.979   2.106
 1609   2HD   LYS  98          HD1       LYS  98   5.391  23.000   0.349
 1610   1HE   LYS  98          HE2       LYS  98   3.702  21.392   1.060
 1611   2HE   LYS  98          HE1       LYS  98   5.062  20.583   0.283
 1612   1HZ   LYS  98          HZ1       LYS  98   5.924  20.011   2.464
 1613   2HZ   LYS  98          HZ2       LYS  98   4.351  19.418   2.277
 1614   3HZ   LYS  98          HZ3       LYS  98   4.628  20.799   3.214
  Start of MODEL    3
    1   1H    MET   1          HT1       MET   1 -19.653   4.373  -2.609
    2   2H    MET   1          HT2       MET   1 -18.229   3.605  -2.117
    3   3H    MET   1          HT3       MET   1 -18.720   3.522  -3.733
    4    HA   MET   1           HA       MET   1 -18.470   5.957  -3.895
    5   1HB   MET   1          HB2       MET   1 -17.394   5.499  -1.124
    6   2HB   MET   1          HB1       MET   1 -16.839   6.831  -2.099
    7   1HG   MET   1          HG2       MET   1 -19.348   6.489  -0.650
    8   2HG   MET   1          HG1       MET   1 -18.436   7.933  -0.960
    9   1HE   MET   1          HE1       MET   1 -22.307   8.110  -2.150
   10   2HE   MET   1          HE2       MET   1 -21.150   9.210  -1.405
   11   3HE   MET   1          HE3       MET   1 -21.428   7.619  -0.702
   12    H    ALA   2           HN       ALA   2 -16.140   6.988  -3.912
   13    HA   ALA   2           HA       ALA   2 -14.315   4.882  -4.816
   14   1HB   ALA   2          HB1       ALA   2 -13.493   6.204  -6.525
   15   2HB   ALA   2          HB2       ALA   2 -14.071   7.687  -5.790
   16   3HB   ALA   2          HB3       ALA   2 -15.216   6.578  -6.544
   17    H    ALA   3           HN       ALA   3 -12.032   5.340  -4.650
   18    HA   ALA   3           HA       ALA   3 -11.464   6.553  -2.074
   19   1HB   ALA   3          HB1       ALA   3  -9.286   5.291  -3.593
   20   2HB   ALA   3          HB2       ALA   3 -10.635   4.238  -3.174
   21   3HB   ALA   3          HB3       ALA   3  -9.761   5.095  -1.905
   22    H    GLU   4           HN       GLU   4 -11.780   8.719  -2.824
   23    HA   GLU   4           HA       GLU   4 -10.156   9.902  -4.825
   24   1HB   GLU   4          HB2       GLU   4 -10.779  12.019  -3.170
   25   2HB   GLU   4          HB1       GLU   4 -11.698  11.485  -4.564
   26   1HG   GLU   4          HG2       GLU   4 -13.108  11.850  -2.615
   27   2HG   GLU   4          HG1       GLU   4 -13.148  10.171  -3.150
   28    H    THR   5           HN       THR   5  -9.934  11.283  -1.585
   29    HA   THR   5           HA       THR   5  -7.141  11.600  -1.838
   30    HB   THR   5           HB       THR   5  -8.480  11.689   0.827
   31    HG1  THR   5           HG1      THR   5  -9.993  12.822  -0.244
   32   1HG2  THR   5          HG21      THR   5  -6.066  12.673  -0.389
   33   2HG2  THR   5          HG22      THR   5  -6.530  12.673   1.312
   34   3HG2  THR   5          HG23      THR   5  -7.000  14.013   0.270
   35    H    LEU   6           HN       LEU   6  -6.564  10.807   1.058
   36    HA   LEU   6           HA       LEU   6  -5.618   8.169   0.462
   37   1HB   LEU   6          HB2       LEU   6  -5.480   9.590   3.117
   38   2HB   LEU   6          HB1       LEU   6  -4.517   8.231   2.581
   39    HG   LEU   6           HG       LEU   6  -3.433   9.793   0.911
   40   1HD1  LEU   6          HD11      LEU   6  -4.856  11.627   0.701
   41   2HD1  LEU   6          HD12      LEU   6  -3.564  12.236   1.727
   42   3HD1  LEU   6          HD13      LEU   6  -5.105  11.759   2.438
   43   1HD2  LEU   6          HD21      LEU   6  -2.053   9.338   2.669
   44   2HD2  LEU   6          HD22      LEU   6  -3.204   9.931   3.865
   45   3HD2  LEU   6          HD23      LEU   6  -2.276  11.072   2.903
   46    H    THR   7           HN       THR   7  -6.791   6.379   0.890
   47    HA   THR   7           HA       THR   7  -9.177   6.547   2.393
   48    HB   THR   7           HB       THR   7  -8.954   3.954   2.413
   49    HG1  THR   7           HG1      THR   7  -7.485   3.276   0.687
   50   1HG2  THR   7          HG21      THR   7 -10.520   4.839   0.912
   51   2HG2  THR   7          HG22      THR   7  -9.443   3.886  -0.108
   52   3HG2  THR   7          HG23      THR   7  -9.274   5.639  -0.048
   53    H    GLU   8           HN       GLU   8  -9.537   5.114   4.367
   54    HA   GLU   8           HA       GLU   8  -8.216   6.011   6.548
   55   1HB   GLU   8          HB2       GLU   8  -9.015   3.122   6.476
   56   2HB   GLU   8          HB1       GLU   8  -9.113   4.269   7.806
   57   1HG   GLU   8          HG2       GLU   8 -10.839   5.504   6.448
   58   2HG   GLU   8          HG1       GLU   8 -10.854   4.108   5.372
   59    H    LEU   9           HN       LEU   9  -7.102   3.617   4.340
   60    HA   LEU   9           HA       LEU   9  -5.133   2.283   5.673
   61   1HB   LEU   9          HB2       LEU   9  -4.813   3.357   2.898
   62   2HB   LEU   9          HB1       LEU   9  -4.209   1.837   3.537
   63    HG   LEU   9           HG       LEU   9  -7.002   2.579   2.736
   64   1HD1  LEU   9          HD11      LEU   9  -6.622   0.180   1.704
   65   2HD1  LEU   9          HD12      LEU   9  -4.935   0.694   1.807
   66   3HD1  LEU   9          HD13      LEU   9  -6.102   1.664   0.916
   67   1HD2  LEU   9          HD21      LEU   9  -7.284   0.043   3.648
   68   2HD2  LEU   9          HD22      LEU   9  -7.746   1.498   4.530
   69   3HD2  LEU   9          HD23      LEU   9  -6.197   0.736   4.855
   70    H    GLU  10           HN       GLU  10  -5.214   5.631   4.730
   71    HA   GLU  10           HA       GLU  10  -2.533   6.312   4.650
   72   1HB   GLU  10          HB2       GLU  10  -3.419   8.464   5.918
   73   2HB   GLU  10          HB1       GLU  10  -3.808   8.149   4.241
   74   1HG   GLU  10          HG2       GLU  10  -5.967   8.003   4.644
   75   2HG   GLU  10          HG1       GLU  10  -5.724   6.962   6.048
   76    H    ALA  11           HN       ALA  11  -4.619   5.638   7.372
   77    HA   ALA  11           HA       ALA  11  -2.868   6.336   9.462
   78   1HB   ALA  11          HB1       ALA  11  -4.605   3.937   9.775
   79   2HB   ALA  11          HB2       ALA  11  -5.382   5.487   9.465
   80   3HB   ALA  11          HB3       ALA  11  -4.345   5.289  10.876
   81    H    ALA  12           HN       ALA  12  -3.196   3.476   7.480
   82    HA   ALA  12           HA       ALA  12  -1.330   1.853   8.838
   83   1HB   ALA  12          HB1       ALA  12  -1.976   1.762   5.895
   84   2HB   ALA  12          HB2       ALA  12  -2.991   1.046   7.147
   85   3HB   ALA  12          HB3       ALA  12  -1.349   0.453   6.897
   86    H    ILE  13           HN       ILE  13  -1.029   4.507   6.620
   87    HA   ILE  13           HA       ILE  13   1.485   4.092   5.578
   88    HB   ILE  13           HB       ILE  13  -0.236   6.103   5.310
   89   1HG1  ILE  13          HG12      ILE  13   1.698   5.515   3.857
   90   2HG1  ILE  13          HG11      ILE  13   1.427   7.249   3.991
   91   1HG2  ILE  13          HG21      ILE  13   1.905   7.493   6.890
   92   2HG2  ILE  13          HG22      ILE  13   0.392   6.973   7.627
   93   3HG2  ILE  13          HG23      ILE  13   0.372   8.138   6.302
   94   1HD1  ILE  13          HD11      ILE  13   3.751   6.916   4.120
   95   2HD1  ILE  13          HD12      ILE  13   3.577   5.604   5.284
   96   3HD1  ILE  13          HD13      ILE  13   3.217   7.263   5.764
   97    H    GLU  14           HN       GLU  14   0.504   4.889   8.790
   98    HA   GLU  14           HA       GLU  14   2.947   5.858   9.811
   99   1HB   GLU  14          HB2       GLU  14   0.698   4.454  11.262
  100   2HB   GLU  14          HB1       GLU  14   1.970   5.405  12.015
  101   1HG   GLU  14          HG2       GLU  14   1.168   7.402  10.883
  102   2HG   GLU  14          HG1       GLU  14  -0.088   6.457  10.085
  103    H    THR  15           HN       THR  15   1.616   2.595   9.447
  104    HA   THR  15           HA       THR  15   3.746   1.390  10.974
  105    HB   THR  15           HB       THR  15   1.923   0.011   8.993
  106    HG1  THR  15           HG1      THR  15   0.808  -0.561  11.046
  107   1HG2  THR  15          HG21      THR  15   2.428  -1.971  10.429
  108   2HG2  THR  15          HG22      THR  15   3.628  -0.992  11.271
  109   3HG2  THR  15          HG23      THR  15   3.824  -1.343   9.554
  110    H    VAL  16           HN       VAL  16   2.864   1.036   7.550
  111    HA   VAL  16           HA       VAL  16   5.111  -0.122   6.564
  112    HB   VAL  16           HB       VAL  16   3.200   0.221   5.175
  113   1HG1  VAL  16          HG11      VAL  16   2.513   2.422   4.391
  114   2HG1  VAL  16          HG12      VAL  16   3.799   3.174   5.336
  115   3HG1  VAL  16          HG13      VAL  16   2.476   2.340   6.151
  116   1HG2  VAL  16          HG21      VAL  16   4.436   1.743   3.286
  117   2HG2  VAL  16          HG22      VAL  16   4.762   0.040   3.567
  118   3HG2  VAL  16          HG23      VAL  16   5.811   1.257   4.275
  119    H    VAL  17           HN       VAL  17   4.686   3.318   7.282
  120    HA   VAL  17           HA       VAL  17   7.192   4.105   6.154
  121    HB   VAL  17           HB       VAL  17   5.259   5.666   6.520
  122   1HG1  VAL  17          HG11      VAL  17   6.193   5.784   9.377
  123   2HG1  VAL  17          HG12      VAL  17   4.793   4.855   8.854
  124   3HG1  VAL  17          HG13      VAL  17   4.811   6.605   8.650
  125   1HG2  VAL  17          HG21      VAL  17   7.922   6.443   7.698
  126   2HG2  VAL  17          HG22      VAL  17   6.677   7.575   7.171
  127   3HG2  VAL  17          HG23      VAL  17   7.459   6.517   5.998
  128    H    SER  18           HN       SER  18   6.008   3.211   9.350
  129    HA   SER  18           HA       SER  18   8.526   3.733  10.653
  130   1HB   SER  18          HB2       SER  18   6.006   2.402  11.669
  131   2HB   SER  18          HB1       SER  18   7.402   2.819  12.664
  132    HG   SER  18           HG       SER  18   6.455   4.677  12.864
  133    H    THR  19           HN       THR  19   7.282   1.139   8.861
  134    HA   THR  19           HA       THR  19   8.769  -0.880  10.304
  135    HB   THR  19           HB       THR  19   8.009  -2.459   8.550
  136    HG1  THR  19           HG1      THR  19   6.980  -0.078   7.444
  137   1HG2  THR  19          HG21      THR  19   5.555  -2.275   9.102
  138   2HG2  THR  19          HG22      THR  19   5.937  -0.774   9.944
  139   3HG2  THR  19          HG23      THR  19   6.645  -2.294  10.487
  140    H    PHE  20           HN       PHE  20   8.761  -0.548   6.812
  141    HA   PHE  20           HA       PHE  20  11.543  -1.286   6.703
  142   1HB   PHE  20          HB2       PHE  20  10.111  -2.338   5.075
  143   2HB   PHE  20          HB1       PHE  20   9.490  -0.777   4.554
  144    HD1  PHE  20           HD1      PHE  20  13.042  -1.300   5.246
  145    HD2  PHE  20           HD2      PHE  20  10.031  -1.146   2.241
  146    HE1  PHE  20           HE1      PHE  20  14.785  -1.166   3.516
  147    HE2  PHE  20           HE2      PHE  20  11.768  -1.017   0.506
  148    HZ   PHE  20           HZ       PHE  20  14.145  -1.026   1.144
  149    H    PHE  21           HN       PHE  21   9.531   1.466   5.910
  150    HA   PHE  21           HA       PHE  21  11.534   2.970   4.676
  151   1HB   PHE  21          HB2       PHE  21   9.067   3.967   6.090
  152   2HB   PHE  21          HB1       PHE  21  10.024   4.874   4.926
  153    HD1  PHE  21           HD1      PHE  21  10.275   1.778   3.596
  154    HD2  PHE  21           HD2      PHE  21   7.257   4.726   4.282
  155    HE1  PHE  21           HE1      PHE  21   8.898   0.818   1.790
  156    HE2  PHE  21           HE2      PHE  21   5.892   3.752   2.488
  157    HZ   PHE  21           HZ       PHE  21   6.715   1.804   1.239
  158    H    THR  22           HN       THR  22  11.283   2.002   7.862
  159    HA   THR  22           HA       THR  22  12.620   4.140   9.075
  160    HB   THR  22           HB       THR  22  13.500   2.496  10.665
  161    HG1  THR  22           HG1      THR  22  13.871   0.914   8.975
  162   1HG2  THR  22          HG21      THR  22  11.246   3.199  11.025
  163   2HG2  THR  22          HG22      THR  22  11.322   1.460  11.311
  164   3HG2  THR  22          HG23      THR  22  10.655   2.080   9.797
  165    H    PHE  23           HN       PHE  23  13.589   2.051   6.511
  166    HA   PHE  23           HA       PHE  23  16.363   2.033   7.065
  167   1HB   PHE  23          HB2       PHE  23  16.729   1.036   4.963
  168   2HB   PHE  23          HB1       PHE  23  15.279   0.348   5.636
  169    HD1  PHE  23           HD1      PHE  23  13.233   2.275   4.745
  170    HD2  PHE  23           HD2      PHE  23  16.609   0.745   2.687
  171    HE1  PHE  23           HE1      PHE  23  12.030   2.499   2.636
  172    HE2  PHE  23           HE2      PHE  23  15.433   1.026   0.558
  173    HZ   PHE  23           HZ       PHE  23  13.134   1.897   0.522
  174    H    ALA  24           HN       ALA  24  14.429   4.563   5.750
  175    HA   ALA  24           HA       ALA  24  16.251   5.977   4.226
  176   1HB   ALA  24          HB1       ALA  24  13.897   6.630   5.802
  177   2HB   ALA  24          HB2       ALA  24  14.458   7.319   4.280
  178   3HB   ALA  24          HB3       ALA  24  15.080   7.937   5.803
  179    H    GLY  25           HN       GLY  25  16.287   5.276   7.592
  180   1HA   GLY  25          HA2       GLY  25  17.735   7.146   8.852
  181   2HA   GLY  25          HA1       GLY  25  18.050   5.426   9.077
  182    H    ARG  26           HN       ARG  26  18.983   5.105   6.290
  183    HA   ARG  26           HA       ARG  26  21.725   5.487   6.637
  184   1HB   ARG  26          HB2       ARG  26  20.354   4.056   4.912
  185   2HB   ARG  26          HB1       ARG  26  20.516   5.473   3.892
  186   1HG   ARG  26          HG2       ARG  26  22.292   4.095   3.279
  187   2HG   ARG  26          HG1       ARG  26  23.018   5.303   4.342
  188   1HD   ARG  26          HD2       ARG  26  23.006   3.762   6.189
  189   2HD   ARG  26          HD1       ARG  26  22.103   2.578   5.242
  190    HE   ARG  26           HE       ARG  26  24.052   1.981   4.164
  191   1HH1  ARG  26          HH11      ARG  26  24.595   4.854   6.064
  192   2HH1  ARG  26          HH12      ARG  26  26.318   4.787   5.903
  193   1HH2  ARG  26          HH21      ARG  26  26.316   1.890   3.947
  194   2HH2  ARG  26          HH22      ARG  26  27.296   3.104   4.698
  195    H    GLU  27           HN       GLU  27  19.496   7.270   4.533
  196    HA   GLU  27           HA       GLU  27  20.913   9.750   5.049
  197   1HB   GLU  27          HB2       GLU  27  21.085  10.234   2.583
  198   2HB   GLU  27          HB1       GLU  27  22.188   8.999   3.173
  199   1HG   GLU  27          HG2       GLU  27  20.655   7.265   2.331
  200   2HG   GLU  27          HG1       GLU  27  19.615   8.532   1.681
  201    H    GLY  28           HN       GLY  28  19.092  10.648   5.926
  202   1HA   GLY  28          HA2       GLY  28  16.900  11.126   4.032
  203   2HA   GLY  28          HA1       GLY  28  16.523  10.476   5.617
  204    H    ARG  29           HN       ARG  29  18.263  13.194   4.113
  205    HA   ARG  29           HA       ARG  29  17.850  14.832   6.436
  206   1HB   ARG  29          HB2       ARG  29  19.855  15.264   5.216
  207   2HB   ARG  29          HB1       ARG  29  18.985  15.384   3.694
  208   1HG   ARG  29          HG2       ARG  29  17.843  17.425   4.665
  209   2HG   ARG  29          HG1       ARG  29  19.039  17.353   5.960
  210   1HD   ARG  29          HD2       ARG  29  20.833  17.526   4.309
  211   2HD   ARG  29          HD1       ARG  29  19.638  17.581   3.013
  212    HE   ARG  29           HE       ARG  29  19.082  19.634   4.837
  213   1HH1  ARG  29          HH11      ARG  29  21.487  18.731   2.488
  214   2HH1  ARG  29          HH12      ARG  29  21.932  20.365   2.122
  215   1HH2  ARG  29          HH21      ARG  29  19.657  21.788   4.365
  216   2HH2  ARG  29          HH22      ARG  29  20.892  22.104   3.191
  217    H    LYS  30           HN       LYS  30  17.162  15.902   3.156
  218    HA   LYS  30           HA       LYS  30  14.370  16.369   3.935
  219   1HB   LYS  30          HB2       LYS  30  16.252  18.260   2.530
  220   2HB   LYS  30          HB1       LYS  30  14.506  18.467   2.507
  221   1HG   LYS  30          HG2       LYS  30  14.453  18.716   4.898
  222   2HG   LYS  30          HG1       LYS  30  16.175  18.352   5.009
  223   1HD   LYS  30          HD2       LYS  30  16.681  20.363   3.705
  224   2HD   LYS  30          HD1       LYS  30  14.956  20.725   3.601
  225   1HE   LYS  30          HE2       LYS  30  14.842  20.941   6.024
  226   2HE   LYS  30          HE1       LYS  30  16.552  20.532   6.153
  227   1HZ   LYS  30          HZ1       LYS  30  17.092  22.526   4.910
  228   2HZ   LYS  30          HZ2       LYS  30  16.188  22.919   6.285
  229   3HZ   LYS  30          HZ3       LYS  30  15.452  22.915   4.762
  230    H    GLY  31           HN       GLY  31  16.462  14.910   1.730
  231   1HA   GLY  31          HA2       GLY  31  14.509  15.034  -0.467
  232   2HA   GLY  31          HA1       GLY  31  16.176  14.458  -0.592
  233    H    SER  32           HN       SER  32  16.483  12.281  -0.526
  234    HA   SER  32           HA       SER  32  14.443  10.710   0.813
  235   1HB   SER  32          HB2       SER  32  14.167   9.247  -1.179
  236   2HB   SER  32          HB1       SER  32  13.502  10.876  -1.289
  237    HG   SER  32           HG       SER  32  15.583  11.402  -2.352
  238    H    LEU  33           HN       LEU  33  14.747   8.350   0.459
  239    HA   LEU  33           HA       LEU  33  17.460   7.686   1.221
  240   1HB   LEU  33          HB2       LEU  33  15.757   6.922   2.707
  241   2HB   LEU  33          HB1       LEU  33  14.872   6.205   1.380
  242    HG   LEU  33           HG       LEU  33  16.746   4.604   1.044
  243   1HD1  LEU  33          HD11      LEU  33  17.810   4.966   3.731
  244   2HD1  LEU  33          HD12      LEU  33  18.186   6.300   2.642
  245   3HD1  LEU  33          HD13      LEU  33  18.646   4.653   2.211
  246   1HD2  LEU  33          HD21      LEU  33  16.247   3.480   3.373
  247   2HD2  LEU  33          HD22      LEU  33  15.052   3.596   2.090
  248   3HD2  LEU  33          HD23      LEU  33  15.010   4.736   3.412
  249    H    ASN  34           HN       ASN  34  18.372   5.703   0.418
  250    HA   ASN  34           HA       ASN  34  17.888   5.484  -2.443
  251   1HB   ASN  34          HB2       ASN  34  20.151   5.429  -0.557
  252   2HB   ASN  34          HB1       ASN  34  20.331   4.411  -2.000
  253   1HD2  ASN  34          HD21      ASN  34  21.944   5.626  -2.938
  254   2HD2  ASN  34          HD22      ASN  34  21.695   7.223  -3.549
  255    H    ILE  35           HN       ILE  35  19.262   3.153  -2.915
  256    HA   ILE  35           HA       ILE  35  17.565   1.194  -1.668
  257    HB   ILE  35           HB       ILE  35  18.476  -0.283  -3.609
  258   1HG1  ILE  35          HG12      ILE  35  19.052   0.972  -5.606
  259   2HG1  ILE  35          HG11      ILE  35  18.830   2.496  -4.751
  260   1HG2  ILE  35          HG21      ILE  35  16.187   0.142  -3.509
  261   2HG2  ILE  35          HG22      ILE  35  16.664   0.729  -5.102
  262   3HG2  ILE  35          HG23      ILE  35  16.401   1.869  -3.780
  263   1HD1  ILE  35          HD11      ILE  35  20.936   0.427  -4.177
  264   2HD1  ILE  35          HD12      ILE  35  20.704   1.927  -3.281
  265   3HD1  ILE  35          HD13      ILE  35  21.180   1.978  -4.979
  266    H    ASN  36           HN       ASN  36  20.149   2.276  -0.633
  267    HA   ASN  36           HA       ASN  36  22.032   0.133  -0.710
  268   1HB   ASN  36          HB2       ASN  36  22.803   2.396  -0.210
  269   2HB   ASN  36          HB1       ASN  36  21.722   2.470   1.184
  270   1HD2  ASN  36          HD21      ASN  36  24.637   1.049  -0.111
  271   2HD2  ASN  36          HD22      ASN  36  25.290   0.530   1.402
  272    H    GLU  37           HN       GLU  37  20.104   1.456   1.985
  273    HA   GLU  37           HA       GLU  37  20.329  -0.894   3.504
  274   1HB   GLU  37          HB2       GLU  37  18.152   1.181   3.565
  275   2HB   GLU  37          HB1       GLU  37  18.341  -0.127   4.740
  276   1HG   GLU  37          HG2       GLU  37  20.721   0.889   5.033
  277   2HG   GLU  37          HG1       GLU  37  20.011   2.314   4.263
  278    H    PHE  38           HN       PHE  38  18.086   0.108   0.967
  279    HA   PHE  38           HA       PHE  38  16.133  -1.789   1.208
  280   1HB   PHE  38          HB2       PHE  38  16.512  -0.007  -0.595
  281   2HB   PHE  38          HB1       PHE  38  17.465  -1.221  -1.435
  282    HD1  PHE  38           HD1      PHE  38  16.190  -3.573  -1.573
  283    HD2  PHE  38           HD2      PHE  38  14.353   0.241  -1.247
  284    HE1  PHE  38           HE1      PHE  38  14.143  -4.472  -2.575
  285    HE2  PHE  38           HE2      PHE  38  12.291  -0.653  -2.249
  286    HZ   PHE  38           HZ       PHE  38  12.185  -3.021  -2.919
  287    H    LYS  39           HN       LYS  39  19.480  -2.210   0.365
  288    HA   LYS  39           HA       LYS  39  19.387  -4.775  -0.656
  289   1HB   LYS  39          HB2       LYS  39  21.637  -3.547   0.907
  290   2HB   LYS  39          HB1       LYS  39  21.759  -4.858  -0.259
  291   1HG   LYS  39          HG2       LYS  39  20.438  -2.654  -1.446
  292   2HG   LYS  39          HG1       LYS  39  21.973  -2.116  -0.748
  293   1HD   LYS  39          HD2       LYS  39  23.127  -3.932  -1.945
  294   2HD   LYS  39          HD1       LYS  39  21.592  -4.403  -2.677
  295   1HE   LYS  39          HE2       LYS  39  22.867  -3.056  -4.229
  296   2HE   LYS  39          HE1       LYS  39  21.425  -2.184  -3.714
  297   1HZ   LYS  39          HZ1       LYS  39  24.179  -1.764  -2.686
  298   2HZ   LYS  39          HZ2       LYS  39  22.802  -0.953  -2.133
  299   3HZ   LYS  39          HZ3       LYS  39  23.333  -0.731  -3.723
  300    H    GLU  40           HN       GLU  40  18.801  -3.744   2.401
  301    HA   GLU  40           HA       GLU  40  19.373  -6.250   3.693
  302   1HB   GLU  40          HB2       GLU  40  18.719  -5.251   5.703
  303   2HB   GLU  40          HB1       GLU  40  19.392  -3.901   4.803
  304   1HG   GLU  40          HG2       GLU  40  17.240  -3.043   4.307
  305   2HG   GLU  40          HG1       GLU  40  16.449  -4.506   4.901
  306    H    LEU  41           HN       LEU  41  17.078  -5.187   1.540
  307    HA   LEU  41           HA       LEU  41  14.753  -6.412   2.672
  308   1HB   LEU  41          HB2       LEU  41  15.270  -5.316  -0.078
  309   2HB   LEU  41          HB1       LEU  41  13.733  -5.973   0.435
  310    HG   LEU  41           HG       LEU  41  15.054  -3.410   1.185
  311   1HD1  LEU  41          HD11      LEU  41  12.189  -3.433   1.001
  312   2HD1  LEU  41          HD12      LEU  41  12.884  -4.239  -0.403
  313   3HD1  LEU  41          HD13      LEU  41  13.365  -2.588  -0.007
  314   1HD2  LEU  41          HD21      LEU  41  13.383  -5.119   2.957
  315   2HD2  LEU  41          HD22      LEU  41  12.989  -3.409   2.897
  316   3HD2  LEU  41          HD23      LEU  41  14.608  -3.920   3.372
  317    H    ALA  42           HN       ALA  42  15.497  -7.096  -0.717
  318    HA   ALA  42           HA       ALA  42  14.491  -9.544  -0.875
  319   1HB   ALA  42          HB1       ALA  42  16.029 -10.081  -2.665
  320   2HB   ALA  42          HB2       ALA  42  17.052  -8.738  -2.168
  321   3HB   ALA  42          HB3       ALA  42  15.432  -8.428  -2.779
  322    H    THR  43           HN       THR  43  17.544  -8.787   0.594
  323    HA   THR  43           HA       THR  43  18.646 -11.320   0.731
  324    HB   THR  43           HB       THR  43  19.726 -10.213   2.855
  325    HG1  THR  43           HG1      THR  43  18.879  -7.812   1.613
  326   1HG2  THR  43          HG21      THR  43  20.910 -10.494   0.768
  327   2HG2  THR  43          HG22      THR  43  21.182  -8.853   1.360
  328   3HG2  THR  43          HG23      THR  43  20.026  -9.146   0.062
  329    H    GLN  44           HN       GLN  44  17.008  -9.600   3.415
  330    HA   GLN  44           HA       GLN  44  16.523 -12.043   4.807
  331   1HB   GLN  44          HB2       GLN  44  15.599  -9.223   5.385
  332   2HB   GLN  44          HB1       GLN  44  15.434 -10.584   6.484
  333   1HG   GLN  44          HG2       GLN  44  18.056  -9.497   5.487
  334   2HG   GLN  44          HG1       GLN  44  17.314  -9.083   7.032
  335   1HE2  GLN  44          HE21      GLN  44  18.893 -11.558   5.178
  336   2HE2  GLN  44          HE22      GLN  44  19.230 -12.619   6.499
  337    H    GLN  45           HN       GLN  45  14.802  -9.905   2.722
  338    HA   GLN  45           HA       GLN  45  12.186 -10.873   3.332
  339   1HB   GLN  45          HB2       GLN  45  13.255  -9.483   0.878
  340   2HB   GLN  45          HB1       GLN  45  11.550  -9.743   1.226
  341   1HG   GLN  45          HG2       GLN  45  12.021  -8.451   3.392
  342   2HG   GLN  45          HG1       GLN  45  13.499  -7.937   2.595
  343   1HE2  GLN  45          HE21      GLN  45  11.945  -8.075  -0.041
  344   2HE2  GLN  45          HE22      GLN  45  11.024  -6.632  -0.063
  345    H    LEU  46           HN       LEU  46  14.791 -11.802   1.227
  346    HA   LEU  46           HA       LEU  46  13.775 -13.437  -0.633
  347   1HB   LEU  46          HB2       LEU  46  16.235 -13.456   0.927
  348   2HB   LEU  46          HB1       LEU  46  15.746 -15.075   0.493
  349    HG   LEU  46           HG       LEU  46  16.660 -12.840  -1.279
  350   1HD1  LEU  46          HD11      LEU  46  17.270 -15.779  -1.090
  351   2HD1  LEU  46          HD12      LEU  46  18.284 -14.447  -0.534
  352   3HD1  LEU  46          HD13      LEU  46  17.977 -14.663  -2.258
  353   1HD2  LEU  46          HD21      LEU  46  14.832 -15.101  -2.065
  354   2HD2  LEU  46          HD22      LEU  46  15.885 -14.277  -3.214
  355   3HD2  LEU  46          HD23      LEU  46  14.629 -13.375  -2.368
  356    HA   PRO  47           HA       PRO  47  12.721 -16.972   2.237
  357   1HB   PRO  47          HB2       PRO  47  13.471 -17.015   4.813
  358   2HB   PRO  47          HB1       PRO  47  14.551 -17.554   3.524
  359   1HG   PRO  47          HG2       PRO  47  14.509 -14.973   5.023
  360   2HG   PRO  47          HG1       PRO  47  15.897 -15.943   4.498
  361   1HD   PRO  47          HD2       PRO  47  14.992 -13.709   3.180
  362   2HD   PRO  47          HD1       PRO  47  15.893 -15.030   2.411
  363    H    HIS  48           HN       HIS  48  10.803 -15.732   1.916
  364    HA   HIS  48           HA       HIS  48   9.636 -14.531   4.298
  365   1HB   HIS  48          HB2       HIS  48   9.220 -14.112   1.455
  366   2HB   HIS  48          HB1       HIS  48   7.707 -14.550   2.231
  367    HD1  HIS  48           HD1      HIS  48  10.495 -12.024   2.534
  368    HD2  HIS  48           HD2      HIS  48   6.541 -12.558   3.689
  369    HE1  HIS  48           HE1      HIS  48   9.795  -9.839   3.559
  370    HE2  HIS  48           HE2      HIS  48   7.417 -10.205   4.311
  371    H    LEU  49           HN       LEU  49   6.958 -15.186   3.847
  372    HA   LEU  49           HA       LEU  49   6.900 -17.947   4.671
  373   1HB   LEU  49          HB2       LEU  49   4.716 -15.914   4.143
  374   2HB   LEU  49          HB1       LEU  49   4.389 -17.562   4.642
  375    HG   LEU  49           HG       LEU  49   4.239 -16.076   6.545
  376   1HD1  LEU  49          HD11      LEU  49   5.094 -18.312   6.959
  377   2HD1  LEU  49          HD12      LEU  49   5.855 -17.145   8.042
  378   3HD1  LEU  49          HD13      LEU  49   6.738 -17.758   6.644
  379   1HD2  LEU  49          HD21      LEU  49   5.726 -14.312   5.663
  380   2HD2  LEU  49          HD22      LEU  49   7.114 -15.345   6.005
  381   3HD2  LEU  49          HD23      LEU  49   6.104 -14.760   7.326
  382    H    LEU  50           HN       LEU  50   4.710 -16.463   2.316
  383    HA   LEU  50           HA       LEU  50   5.130 -18.646   0.453
  384   1HB   LEU  50          HB2       LEU  50   2.866 -17.705   0.917
  385   2HB   LEU  50          HB1       LEU  50   3.380 -16.196   0.187
  386    HG   LEU  50           HG       LEU  50   3.698 -17.336  -1.965
  387   1HD1  LEU  50          HD11      LEU  50   2.914 -19.632  -2.259
  388   2HD1  LEU  50          HD12      LEU  50   2.612 -19.754  -0.526
  389   3HD1  LEU  50          HD13      LEU  50   4.260 -19.553  -1.122
  390   1HD2  LEU  50          HD21      LEU  50   1.552 -16.296  -1.475
  391   2HD2  LEU  50          HD22      LEU  50   0.986 -17.787  -0.725
  392   3HD2  LEU  50          HD23      LEU  50   1.333 -17.747  -2.453
  393    H    LYS  51           HN       LYS  51   7.493 -17.467   0.657
  394    HA   LYS  51           HA       LYS  51   8.273 -15.217  -0.548
  395   1HB   LYS  51          HB2       LYS  51   9.895 -16.585   0.443
  396   2HB   LYS  51          HB1       LYS  51   9.542 -17.933  -0.627
  397   1HG   LYS  51          HG2       LYS  51  10.410 -16.558  -2.512
  398   2HG   LYS  51          HG1       LYS  51  10.924 -15.344  -1.342
  399   1HD   LYS  51          HD2       LYS  51  12.147 -17.893  -2.121
  400   2HD   LYS  51          HD1       LYS  51  12.879 -16.461  -1.407
  401   1HE   LYS  51          HE2       LYS  51  11.801 -17.243   0.774
  402   2HE   LYS  51          HE1       LYS  51  11.559 -18.783  -0.037
  403   1HZ   LYS  51          HZ1       LYS  51  13.611 -18.772   1.232
  404   2HZ   LYS  51          HZ2       LYS  51  14.176 -17.436   0.363
  405   3HZ   LYS  51          HZ3       LYS  51  13.941 -18.916  -0.421
  406    H    ASP  52           HN       ASP  52   9.158 -14.645  -2.518
  407    HA   ASP  52           HA       ASP  52   7.773 -15.786  -4.847
  408   1HB   ASP  52          HB2       ASP  52   8.858 -13.010  -4.330
  409   2HB   ASP  52          HB1       ASP  52   8.312 -13.551  -5.915
  410    H    VAL  53           HN       VAL  53  10.847 -14.981  -3.468
  411    HA   VAL  53           HA       VAL  53  12.886 -15.922  -3.860
  412    HB   VAL  53           HB       VAL  53  11.825 -16.697  -6.529
  413   1HG1  VAL  53          HG11      VAL  53  13.756 -18.187  -6.661
  414   2HG1  VAL  53          HG12      VAL  53  14.320 -17.574  -5.106
  415   3HG1  VAL  53          HG13      VAL  53  14.248 -16.501  -6.504
  416   1HG2  VAL  53          HG21      VAL  53  12.088 -18.326  -4.022
  417   2HG2  VAL  53          HG22      VAL  53  11.669 -18.977  -5.607
  418   3HG2  VAL  53          HG23      VAL  53  10.586 -17.838  -4.808
  419    H    GLY  54           HN       GLY  54  13.307 -13.633  -3.749
  420   1HA   GLY  54          HA2       GLY  54  13.430 -11.937  -5.968
  421   2HA   GLY  54          HA1       GLY  54  14.372 -11.761  -4.497
  422    H    SER  55           HN       SER  55  14.413 -12.617  -7.796
  423    HA   SER  55           HA       SER  55  16.762 -14.161  -7.922
  424   1HB   SER  55          HB2       SER  55  16.775 -13.666 -10.281
  425   2HB   SER  55          HB1       SER  55  15.094 -13.851  -9.780
  426    HG   SER  55           HG       SER  55  14.818 -11.941 -10.587
  427    H    LEU  56           HN       LEU  56  18.799 -13.632  -7.533
  428    HA   LEU  56           HA       LEU  56  19.759 -11.408  -6.387
  429   1HB   LEU  56          HB2       LEU  56  21.257 -13.050  -8.425
  430   2HB   LEU  56          HB1       LEU  56  21.990 -11.991  -7.236
  431    HG   LEU  56           HG       LEU  56  20.394 -14.481  -6.634
  432   1HD1  LEU  56          HD11      LEU  56  22.529 -15.379  -5.860
  433   2HD1  LEU  56          HD12      LEU  56  23.342 -13.902  -6.381
  434   3HD1  LEU  56          HD13      LEU  56  22.588 -14.962  -7.572
  435   1HD2  LEU  56          HD21      LEU  56  21.849 -12.603  -4.776
  436   2HD2  LEU  56          HD22      LEU  56  21.052 -14.108  -4.318
  437   3HD2  LEU  56          HD23      LEU  56  20.099 -12.754  -4.927
  438    H    ASP  57           HN       ASP  57  19.220 -11.729  -9.860
  439    HA   ASP  57           HA       ASP  57  20.588  -9.310 -10.529
  440   1HB   ASP  57          HB2       ASP  57  19.045  -9.445 -12.593
  441   2HB   ASP  57          HB1       ASP  57  20.315 -10.657 -12.405
  442    H    GLU  58           HN       GLU  58  17.189 -10.168 -10.145
  443    HA   GLU  58           HA       GLU  58  16.034  -7.704 -10.647
  444   1HB   GLU  58          HB2       GLU  58  14.709  -9.733 -10.390
  445   2HB   GLU  58          HB1       GLU  58  15.164  -9.848  -8.698
  446   1HG   GLU  58          HG2       GLU  58  12.956  -8.980  -8.807
  447   2HG   GLU  58          HG1       GLU  58  14.031  -7.669  -8.317
  448    H    LYS  59           HN       LYS  59  17.674  -8.961  -7.856
  449    HA   LYS  59           HA       LYS  59  17.008  -6.978  -6.009
  450   1HB   LYS  59          HB2       LYS  59  19.283  -8.901  -6.285
  451   2HB   LYS  59          HB1       LYS  59  19.415  -7.610  -5.107
  452   1HG   LYS  59          HG2       LYS  59  18.640  -9.647  -4.060
  453   2HG   LYS  59          HG1       LYS  59  17.378  -8.420  -4.006
  454   1HD   LYS  59          HD2       LYS  59  17.233 -10.090  -6.367
  455   2HD   LYS  59          HD1       LYS  59  17.063 -10.997  -4.866
  456   1HE   LYS  59          HE2       LYS  59  15.093 -10.027  -4.357
  457   2HE   LYS  59          HE1       LYS  59  15.589  -8.471  -4.997
  458   1HZ   LYS  59          HZ1       LYS  59  13.764  -9.947  -6.170
  459   2HZ   LYS  59          HZ2       LYS  59  15.128 -10.601  -6.926
  460   3HZ   LYS  59          HZ3       LYS  59  14.812  -8.949  -7.044
  461    H    MET  60           HN       MET  60  19.340  -7.168  -8.574
  462    HA   MET  60           HA       MET  60  20.738  -4.788  -7.840
  463   1HB   MET  60          HB2       MET  60  20.883  -6.579 -10.256
  464   2HB   MET  60          HB1       MET  60  21.898  -5.153 -10.049
  465   1HG   MET  60          HG2       MET  60  22.924  -6.093  -8.099
  466   2HG   MET  60          HG1       MET  60  21.812  -7.460  -8.122
  467   1HE   MET  60          HE1       MET  60  24.796  -5.679  -9.987
  468   2HE   MET  60          HE2       MET  60  23.526  -5.755 -11.208
  469   3HE   MET  60          HE3       MET  60  24.987  -6.726 -11.392
  470    H    LYS  61           HN       LYS  61  18.381  -5.679 -10.280
  471    HA   LYS  61           HA       LYS  61  18.453  -3.217 -11.710
  472   1HB   LYS  61          HB2       LYS  61  15.920  -4.743 -11.669
  473   2HB   LYS  61          HB1       LYS  61  16.808  -4.087 -13.040
  474   1HG   LYS  61          HG2       LYS  61  17.347  -6.643 -11.556
  475   2HG   LYS  61          HG1       LYS  61  16.782  -6.462 -13.213
  476   1HD   LYS  61          HD2       LYS  61  19.458  -5.478 -12.231
  477   2HD   LYS  61          HD1       LYS  61  19.204  -7.039 -13.008
  478   1HE   LYS  61          HE2       LYS  61  18.300  -5.854 -14.986
  479   2HE   LYS  61          HE1       LYS  61  18.687  -4.321 -14.206
  480   1HZ   LYS  61          HZ1       LYS  61  21.012  -4.934 -14.200
  481   2HZ   LYS  61          HZ2       LYS  61  20.404  -5.009 -15.777
  482   3HZ   LYS  61          HZ3       LYS  61  20.657  -6.433 -14.900
  483    H    THR  62           HN       THR  62  16.364  -4.552  -9.252
  484    HA   THR  62           HA       THR  62  14.485  -2.542  -9.116
  485    HB   THR  62           HB       THR  62  15.470  -4.222  -6.812
  486    HG1  THR  62           HG1      THR  62  14.580  -5.153  -8.985
  487   1HG2  THR  62          HG21      THR  62  12.889  -2.731  -7.298
  488   2HG2  THR  62          HG22      THR  62  14.067  -2.435  -6.018
  489   3HG2  THR  62          HG23      THR  62  13.117  -3.920  -6.017
  490    H    LEU  63           HN       LEU  63  17.777  -2.428  -8.139
  491    HA   LEU  63           HA       LEU  63  17.750  -0.567  -6.081
  492   1HB   LEU  63          HB2       LEU  63  19.648  -1.216  -8.269
  493   2HB   LEU  63          HB1       LEU  63  19.880   0.311  -7.450
  494    HG   LEU  63           HG       LEU  63  19.823  -1.152  -5.284
  495   1HD1  LEU  63          HD11      LEU  63  21.161  -3.266  -6.720
  496   2HD1  LEU  63          HD12      LEU  63  19.461  -3.140  -7.174
  497   3HD1  LEU  63          HD13      LEU  63  19.909  -3.359  -5.482
  498   1HD2  LEU  63          HD21      LEU  63  21.742   0.112  -5.920
  499   2HD2  LEU  63          HD22      LEU  63  22.107  -0.998  -7.239
  500   3HD2  LEU  63          HD23      LEU  63  22.285  -1.528  -5.570
  501    H    ASP  64           HN       ASP  64  18.456   0.273  -9.450
  502    HA   ASP  64           HA       ASP  64  17.910   3.000  -9.178
  503   1HB   ASP  64          HB2       ASP  64  17.750   1.301 -11.674
  504   2HB   ASP  64          HB1       ASP  64  17.811   3.063 -11.630
  505    H    VAL  65           HN       VAL  65  15.802   0.318 -10.139
  506    HA   VAL  65           HA       VAL  65  13.566   1.840 -10.872
  507    HB   VAL  65           HB       VAL  65  13.616  -0.899  -9.572
  508   1HG1  VAL  65          HG11      VAL  65  11.423   0.483 -11.119
  509   2HG1  VAL  65          HG12      VAL  65  11.420   0.147  -9.388
  510   3HG1  VAL  65          HG13      VAL  65  11.386  -1.183 -10.544
  511   1HG2  VAL  65          HG21      VAL  65  13.392  -1.738 -11.869
  512   2HG2  VAL  65          HG22      VAL  65  14.889  -0.833 -11.642
  513   3HG2  VAL  65          HG23      VAL  65  13.526  -0.088 -12.478
  514    H    ASN  66           HN       ASN  66  13.833  -0.007  -7.856
  515    HA   ASN  66           HA       ASN  66  12.103   1.841  -6.451
  516   1HB   ASN  66          HB2       ASN  66  13.629  -0.555  -5.438
  517   2HB   ASN  66          HB1       ASN  66  12.333   0.276  -4.588
  518   1HD2  ASN  66          HD21      ASN  66  11.109  -1.592  -4.453
  519   2HD2  ASN  66          HD22      ASN  66  10.291  -2.259  -5.821
  520    H    GLN  67           HN       GLN  67  14.452   3.151  -7.282
  521    HA   GLN  67           HA       GLN  67  16.518   3.077  -5.373
  522   1HB   GLN  67          HB2       GLN  67  17.473   4.159  -7.063
  523   2HB   GLN  67          HB1       GLN  67  15.933   4.397  -7.847
  524   1HG   GLN  67          HG2       GLN  67  16.617   6.227  -5.711
  525   2HG   GLN  67          HG1       GLN  67  17.633   6.335  -7.115
  526   1HE2  GLN  67          HE21      GLN  67  14.342   5.382  -7.455
  527   2HE2  GLN  67          HE22      GLN  67  13.740   6.886  -8.017
  528    H    ASP  68           HN       ASP  68  13.818   5.239  -5.889
  529    HA   ASP  68           HA       ASP  68  14.323   6.620  -3.397
  530   1HB   ASP  68          HB2       ASP  68  12.450   7.177  -5.690
  531   2HB   ASP  68          HB1       ASP  68  12.411   8.074  -4.176
  532    H    SER  69           HN       SER  69  13.317   3.808  -3.606
  533    HA   SER  69           HA       SER  69  10.672   3.377  -3.183
  534   1HB   SER  69          HB2       SER  69  11.524   1.655  -1.400
  535   2HB   SER  69          HB1       SER  69  11.956   1.430  -3.093
  536    HG   SER  69           HG       SER  69  13.971   1.735  -2.593
  537    H    GLU  70           HN       GLU  70  13.037   4.809  -1.126
  538    HA   GLU  70           HA       GLU  70  10.864   5.677   0.645
  539   1HB   GLU  70          HB2       GLU  70  12.077   4.243   2.028
  540   2HB   GLU  70          HB1       GLU  70  13.626   4.782   1.389
  541   1HG   GLU  70          HG2       GLU  70  13.696   6.573   2.742
  542   2HG   GLU  70          HG1       GLU  70  11.972   6.865   2.619
  543    H    LEU  71           HN       LEU  71  10.895   7.735   1.269
  544    HA   LEU  71           HA       LEU  71  13.111   9.357   0.504
  545   1HB   LEU  71          HB2       LEU  71  11.664  10.943  -0.693
  546   2HB   LEU  71          HB1       LEU  71  11.888   9.390  -1.486
  547    HG   LEU  71           HG       LEU  71   9.606  10.185  -1.611
  548   1HD1  LEU  71          HD11      LEU  71   8.807   8.104  -1.551
  549   2HD1  LEU  71          HD12      LEU  71   9.131   7.956   0.168
  550   3HD1  LEU  71          HD13      LEU  71  10.410   7.665  -1.009
  551   1HD2  LEU  71          HD21      LEU  71   9.779  11.391   0.599
  552   2HD2  LEU  71          HD22      LEU  71   9.303   9.850   1.298
  553   3HD2  LEU  71          HD23      LEU  71   8.239  10.669   0.158
  554    H    ARG  72           HN       ARG  72  12.874  11.577   1.080
  555    HA   ARG  72           HA       ARG  72  11.435  11.988   3.604
  556   1HB   ARG  72          HB2       ARG  72  13.683  13.754   2.820
  557   2HB   ARG  72          HB1       ARG  72  13.231  13.184   4.422
  558   1HG   ARG  72          HG2       ARG  72  14.809  11.753   2.313
  559   2HG   ARG  72          HG1       ARG  72  15.377  12.327   3.876
  560   1HD   ARG  72          HD2       ARG  72  13.590  10.014   3.260
  561   2HD   ARG  72          HD1       ARG  72  15.098  10.033   4.158
  562    HE   ARG  72           HE       ARG  72  13.559  11.558   5.707
  563   1HH1  ARG  72          HH11      ARG  72  12.911   8.479   4.200
  564   2HH1  ARG  72          HH12      ARG  72  11.830   7.956   5.446
  565   1HH2  ARG  72          HH21      ARG  72  12.138  10.871   7.347
  566   2HH2  ARG  72          HH22      ARG  72  11.391   9.312   7.233
  567    H    PHE  73           HN       PHE  73  11.382  12.645   0.355
  568    HA   PHE  73           HA       PHE  73  10.283  15.301   0.763
  569   1HB   PHE  73          HB2       PHE  73  11.212  16.078  -1.301
  570   2HB   PHE  73          HB1       PHE  73  12.497  15.393  -0.331
  571    HD1  PHE  73           HD1      PHE  73  11.683  15.933  -3.463
  572    HD2  PHE  73           HD2      PHE  73  12.574  12.541  -1.034
  573    HE1  PHE  73           HE1      PHE  73  12.388  14.691  -5.451
  574    HE2  PHE  73           HE2      PHE  73  13.235  11.288  -3.048
  575    HZ   PHE  73           HZ       PHE  73  13.171  12.374  -5.244
  576    H    SER  74           HN       SER  74   9.816  14.705  -2.465
  577    HA   SER  74           HA       SER  74   7.175  13.694  -1.870
  578   1HB   SER  74          HB2       SER  74   6.584  14.632  -4.154
  579   2HB   SER  74          HB1       SER  74   6.970  15.806  -2.895
  580    HG   SER  74           HG       SER  74   8.037  16.206  -4.922
  581    H    GLU  75           HN       GLU  75   9.678  12.106  -2.495
  582    HA   GLU  75           HA       GLU  75   8.970  10.749  -4.914
  583   1HB   GLU  75          HB2       GLU  75  11.102  10.698  -2.941
  584   2HB   GLU  75          HB1       GLU  75  10.619   9.076  -3.389
  585   1HG   GLU  75          HG2       GLU  75  12.533  10.395  -4.610
  586   2HG   GLU  75          HG1       GLU  75  11.499   9.238  -5.441
  587    H    TYR  76           HN       TYR  76   7.516  10.813  -1.946
  588    HA   TYR  76           HA       TYR  76   7.130   8.343  -1.013
  589   1HB   TYR  76          HB2       TYR  76   5.426  10.724  -1.063
  590   2HB   TYR  76          HB1       TYR  76   4.620   9.212  -0.654
  591    HD1  TYR  76           HD1      TYR  76   7.272   8.111   0.717
  592    HD2  TYR  76           HD2      TYR  76   4.978  11.668   1.106
  593    HE1  TYR  76           HE1      TYR  76   8.145   8.385   2.914
  594    HE2  TYR  76           HE2      TYR  76   5.854  11.956   3.385
  595    HH   TYR  76           HH       TYR  76   8.493  10.221   4.582
  596    H    TRP  77           HN       TRP  77   6.009   9.349  -4.077
  597    HA   TRP  77           HA       TRP  77   4.027   7.359  -4.426
  598   1HB   TRP  77          HB2       TRP  77   4.420   7.624  -6.856
  599   2HB   TRP  77          HB1       TRP  77   4.215   9.175  -6.064
  600    HD1  TRP  77           HD1      TRP  77   7.139   6.875  -7.100
  601    HE1  TRP  77           HE1      TRP  77   9.068   8.351  -7.901
  602    HE3  TRP  77           HE3      TRP  77   5.070  11.453  -6.239
  603    HZ2  TRP  77           HZ2      TRP  77   9.639  11.119  -8.157
  604    HZ3  TRP  77           HZ3      TRP  77   6.357  13.462  -6.768
  605    HH2  TRP  77           HH2      TRP  77   8.605  13.304  -7.714
  606    H    ARG  78           HN       ARG  78   7.361   7.058  -3.892
  607    HA   ARG  78           HA       ARG  78   7.778   4.805  -5.625
  608   1HB   ARG  78          HB2       ARG  78   9.444   6.013  -3.398
  609   2HB   ARG  78          HB1       ARG  78   9.979   4.666  -4.407
  610   1HG   ARG  78          HG2       ARG  78   9.082   7.177  -5.712
  611   2HG   ARG  78          HG1       ARG  78  10.658   7.139  -4.933
  612   1HD   ARG  78          HD2       ARG  78  11.094   6.539  -7.152
  613   2HD   ARG  78          HD1       ARG  78  11.071   5.006  -6.281
  614    HE   ARG  78           HE       ARG  78   8.499   5.507  -7.261
  615   1HH1  ARG  78          HH11      ARG  78  11.691   4.790  -8.449
  616   2HH1  ARG  78          HH12      ARG  78  11.120   3.989  -9.875
  617   1HH2  ARG  78          HH21      ARG  78   7.735   4.455  -9.132
  618   2HH2  ARG  78          HH22      ARG  78   8.871   3.799 -10.263
  619    H    LEU  79           HN       LEU  79   6.998   5.469  -2.268
  620    HA   LEU  79           HA       LEU  79   7.031   2.828  -1.309
  621   1HB   LEU  79          HB2       LEU  79   4.899   4.694  -0.395
  622   2HB   LEU  79          HB1       LEU  79   5.882   3.594   0.537
  623    HG   LEU  79           HG       LEU  79   6.923   6.213  -0.591
  624   1HD1  LEU  79          HD11      LEU  79   5.399   5.513   1.870
  625   2HD1  LEU  79          HD12      LEU  79   5.410   7.002   0.926
  626   3HD1  LEU  79          HD13      LEU  79   6.739   6.647   2.029
  627   1HD2  LEU  79          HD21      LEU  79   8.170   5.142   1.783
  628   2HD2  LEU  79          HD22      LEU  79   8.892   5.613   0.248
  629   3HD2  LEU  79          HD23      LEU  79   8.243   3.986   0.454
  630    H    ILE  80           HN       ILE  80   4.846   4.636  -3.298
  631    HA   ILE  80           HA       ILE  80   2.445   3.524  -2.964
  632    HB   ILE  80           HB       ILE  80   3.393   5.252  -4.757
  633   1HG1  ILE  80          HG12      ILE  80   1.182   5.182  -5.868
  634   2HG1  ILE  80          HG11      ILE  80   0.872   3.613  -5.132
  635   1HG2  ILE  80          HG21      ILE  80   2.900   2.796  -6.422
  636   2HG2  ILE  80          HG22      ILE  80   4.458   3.578  -6.165
  637   3HG2  ILE  80          HG23      ILE  80   3.177   4.430  -7.021
  638   1HD1  ILE  80          HD11      ILE  80   1.425   6.078  -3.515
  639   2HD1  ILE  80          HD12      ILE  80   0.738   4.544  -2.978
  640   3HD1  ILE  80          HD13      ILE  80  -0.194   5.609  -4.030
  641    H    GLY  81           HN       GLY  81   4.884   2.066  -5.116
  642   1HA   GLY  81          HA2       GLY  81   3.215  -0.255  -5.504
  643   2HA   GLY  81          HA1       GLY  81   4.852  -0.034  -6.105
  644    H    GLU  82           HN       GLU  82   5.115   0.771  -2.979
  645    HA   GLU  82           HA       GLU  82   6.284  -1.799  -2.304
  646   1HB   GLU  82          HB2       GLU  82   6.109   0.724  -0.693
  647   2HB   GLU  82          HB1       GLU  82   7.114  -0.668  -0.325
  648   1HG   GLU  82          HG2       GLU  82   8.163  -0.245  -2.638
  649   2HG   GLU  82          HG1       GLU  82   7.459   1.360  -2.474
  650    H    LEU  83           HN       LEU  83   3.958   0.419  -0.766
  651    HA   LEU  83           HA       LEU  83   3.144  -1.260   1.286
  652   1HB   LEU  83          HB2       LEU  83   1.628   0.857  -0.229
  653   2HB   LEU  83          HB1       LEU  83   0.946   0.007   1.143
  654    HG   LEU  83           HG       LEU  83   2.897   0.834   2.508
  655   1HD1  LEU  83          HD11      LEU  83   4.487   1.380   0.834
  656   2HD1  LEU  83          HD12      LEU  83   4.000   2.893   1.597
  657   3HD1  LEU  83          HD13      LEU  83   3.353   2.455   0.016
  658   1HD2  LEU  83          HD21      LEU  83   0.941   2.765   1.289
  659   2HD2  LEU  83          HD22      LEU  83   1.966   3.158   2.669
  660   3HD2  LEU  83          HD23      LEU  83   0.776   1.861   2.794
  661    H    ALA  84           HN       ALA  84   2.514  -1.432  -2.089
  662    HA   ALA  84           HA       ALA  84   0.365  -3.307  -1.798
  663   1HB   ALA  84          HB1       ALA  84   0.956  -3.641  -4.329
  664   2HB   ALA  84          HB2       ALA  84   1.934  -2.196  -4.093
  665   3HB   ALA  84          HB3       ALA  84   0.196  -2.141  -3.799
  666    H    LYS  85           HN       LYS  85   3.822  -3.340  -2.367
  667    HA   LYS  85           HA       LYS  85   4.484  -5.848  -3.118
  668   1HB   LYS  85          HB2       LYS  85   5.845  -3.770  -2.050
  669   2HB   LYS  85          HB1       LYS  85   5.970  -4.951  -0.752
  670   1HG   LYS  85          HG2       LYS  85   7.858  -5.226  -2.121
  671   2HG   LYS  85          HG1       LYS  85   6.798  -6.590  -2.451
  672   1HD   LYS  85          HD2       LYS  85   7.634  -5.792  -4.546
  673   2HD   LYS  85          HD1       LYS  85   5.933  -5.341  -4.435
  674   1HE   LYS  85          HE2       LYS  85   6.608  -3.078  -3.719
  675   2HE   LYS  85          HE1       LYS  85   8.306  -3.529  -3.915
  676   1HZ   LYS  85          HZ1       LYS  85   7.906  -3.906  -6.256
  677   2HZ   LYS  85          HZ2       LYS  85   7.439  -2.334  -5.841
  678   3HZ   LYS  85          HZ3       LYS  85   6.266  -3.529  -6.080
  679    H    GLU  86           HN       GLU  86   3.159  -4.939  -0.046
  680    HA   GLU  86           HA       GLU  86   3.542  -7.533   1.094
  681   1HB   GLU  86          HB2       GLU  86   1.922  -6.406   2.834
  682   2HB   GLU  86          HB1       GLU  86   3.615  -5.973   2.785
  683   1HG   GLU  86          HG2       GLU  86   3.161  -3.935   1.789
  684   2HG   GLU  86          HG1       GLU  86   1.595  -4.478   1.224
  685    H    VAL  87           HN       VAL  87   0.825  -5.641  -0.176
  686    HA   VAL  87           HA       VAL  87  -1.075  -7.729   0.370
  687    HB   VAL  87           HB       VAL  87  -1.505  -5.279  -1.329
  688   1HG1  VAL  87          HG11      VAL  87  -3.665  -5.840  -1.418
  689   2HG1  VAL  87          HG12      VAL  87  -3.705  -6.293   0.284
  690   3HG1  VAL  87          HG13      VAL  87  -3.143  -7.448  -0.919
  691   1HG2  VAL  87          HG21      VAL  87  -0.644  -4.623   0.853
  692   2HG2  VAL  87          HG22      VAL  87  -1.874  -5.608   1.646
  693   3HG2  VAL  87          HG23      VAL  87  -2.350  -4.200   0.697
  694    H    ARG  88           HN       ARG  88   1.007  -6.985  -2.232
  695    HA   ARG  88           HA       ARG  88  -0.457  -7.909  -4.424
  696   1HB   ARG  88          HB2       ARG  88   1.723  -6.765  -4.600
  697   2HB   ARG  88          HB1       ARG  88   2.513  -8.204  -3.970
  698   1HG   ARG  88          HG2       ARG  88   1.820  -9.479  -5.897
  699   2HG   ARG  88          HG1       ARG  88   0.902  -8.100  -6.505
  700   1HD   ARG  88          HD2       ARG  88   2.951  -6.818  -6.759
  701   2HD   ARG  88          HD1       ARG  88   3.887  -8.141  -6.065
  702    HE   ARG  88           HE       ARG  88   2.498  -9.121  -8.285
  703   1HH1  ARG  88          HH11      ARG  88   5.065  -6.890  -7.536
  704   2HH1  ARG  88          HH12      ARG  88   5.872  -7.106  -9.053
  705   1HH2  ARG  88          HH21      ARG  88   3.554  -9.415 -10.288
  706   2HH2  ARG  88          HH22      ARG  88   5.012  -8.542 -10.618
  707    H    LYS  89           HN       LYS  89   2.131  -9.827  -2.985
  708    HA   LYS  89           HA       LYS  89   1.293 -12.269  -4.063
  709   1HB   LYS  89          HB2       LYS  89   2.799 -13.309  -2.350
  710   2HB   LYS  89          HB1       LYS  89   3.573 -12.073  -3.322
  711   1HG   LYS  89          HG2       LYS  89   2.477 -10.871  -0.970
  712   2HG   LYS  89          HG1       LYS  89   3.462 -12.280  -0.517
  713   1HD   LYS  89          HD2       LYS  89   4.726 -10.130  -0.620
  714   2HD   LYS  89          HD1       LYS  89   5.357 -11.400  -1.655
  715   1HE   LYS  89          HE2       LYS  89   4.261 -10.346  -3.591
  716   2HE   LYS  89          HE1       LYS  89   3.673  -9.069  -2.539
  717   1HZ   LYS  89          HZ1       LYS  89   6.531  -9.689  -2.967
  718   2HZ   LYS  89          HZ2       LYS  89   5.900  -8.389  -2.091
  719   3HZ   LYS  89          HZ3       LYS  89   5.686  -8.460  -3.767
  720    H    GLU  90           HN       GLU  90   0.528 -10.539  -1.170
  721    HA   GLU  90           HA       GLU  90  -0.812 -12.606   0.189
  722   1HB   GLU  90          HB2       GLU  90  -0.845  -9.605   0.369
  723   2HB   GLU  90          HB1       GLU  90  -1.911 -10.592   1.371
  724   1HG   GLU  90          HG2       GLU  90   1.089 -10.749   1.275
  725   2HG   GLU  90          HG1       GLU  90   0.134  -9.973   2.538
  726    H    LYS  91           HN       LYS  91  -1.591 -10.958  -2.659
  727    HA   LYS  91           HA       LYS  91  -4.346 -10.714  -2.473
  728   1HB   LYS  91          HB2       LYS  91  -4.397 -10.439  -4.766
  729   2HB   LYS  91          HB1       LYS  91  -2.835  -9.813  -4.281
  730   1HG   LYS  91          HG2       LYS  91  -1.812 -11.960  -4.988
  731   2HG   LYS  91          HG1       LYS  91  -3.392 -12.472  -5.578
  732   1HD   LYS  91          HD2       LYS  91  -3.442 -10.593  -7.125
  733   2HD   LYS  91          HD1       LYS  91  -1.887 -10.029  -6.509
  734   1HE   LYS  91          HE2       LYS  91  -0.843 -12.115  -7.267
  735   2HE   LYS  91          HE1       LYS  91  -2.397 -12.657  -7.900
  736   1HZ   LYS  91          HZ1       LYS  91  -0.907 -10.252  -8.805
  737   2HZ   LYS  91          HZ2       LYS  91  -2.392 -10.779  -9.418
  738   3HZ   LYS  91          HZ3       LYS  91  -1.005 -11.721  -9.638
  739    H    ALA  92           HN       ALA  92  -2.453 -13.359  -3.828
  740    HA   ALA  92           HA       ALA  92  -4.735 -15.093  -4.014
  741   1HB   ALA  92          HB1       ALA  92  -3.075 -16.765  -4.801
  742   2HB   ALA  92          HB2       ALA  92  -1.800 -15.582  -4.504
  743   3HB   ALA  92          HB3       ALA  92  -3.041 -15.256  -5.714
  744    H    LEU  93           HN       LEU  93  -2.426 -14.351  -1.586
  745    HA   LEU  93           HA       LEU  93  -2.678 -16.906  -0.233
  746   1HB   LEU  93          HB2       LEU  93  -0.673 -15.159  -0.155
  747   2HB   LEU  93          HB1       LEU  93  -1.638 -14.464   1.140
  748    HG   LEU  93           HG       LEU  93  -1.089 -17.391   1.250
  749   1HD1  LEU  93          HD11      LEU  93   0.931 -15.287   2.039
  750   2HD1  LEU  93          HD12      LEU  93   1.085 -16.389   0.672
  751   3HD1  LEU  93          HD13      LEU  93   1.063 -17.024   2.317
  752   1HD2  LEU  93          HD21      LEU  93  -2.508 -16.438   2.935
  753   2HD2  LEU  93          HD22      LEU  93  -1.332 -15.172   3.280
  754   3HD2  LEU  93          HD23      LEU  93  -0.963 -16.851   3.675
  755    H    GLY  94           HN       GLY  94  -4.262 -13.834  -0.205
  756   1HA   GLY  94          HA2       GLY  94  -5.462 -13.755   2.268
  757   2HA   GLY  94          HA1       GLY  94  -6.253 -13.239   0.786
  758    H    ILE  95           HN       ILE  95  -6.584 -15.516  -0.579
  759    HA   ILE  95           HA       ILE  95  -8.909 -16.603   0.510
  760    HB   ILE  95           HB       ILE  95  -8.429 -16.678  -1.876
  761   1HG1  ILE  95          HG12      ILE  95  -8.572 -19.523  -0.866
  762   2HG1  ILE  95          HG11      ILE  95  -9.928 -18.406  -0.740
  763   1HG2  ILE  95          HG21      ILE  95  -6.641 -17.732  -2.809
  764   2HG2  ILE  95          HG22      ILE  95  -6.512 -18.910  -1.501
  765   3HG2  ILE  95          HG23      ILE  95  -5.958 -17.255  -1.254
  766   1HD1  ILE  95          HD11      ILE  95  -9.950 -19.987  -2.698
  767   2HD1  ILE  95          HD12      ILE  95  -8.606 -19.052  -3.354
  768   3HD1  ILE  95          HD13      ILE  95 -10.165 -18.280  -3.076
  769    H    ARG  96           HN       ARG  96  -8.129 -17.082   2.676
  770    HA   ARG  96           HA       ARG  96  -6.309 -19.177   3.181
  771   1HB   ARG  96          HB2       ARG  96  -7.313 -19.219   5.465
  772   2HB   ARG  96          HB1       ARG  96  -6.768 -17.629   4.941
  773   1HG   ARG  96          HG2       ARG  96  -9.567 -18.158   4.311
  774   2HG   ARG  96          HG1       ARG  96  -9.211 -18.211   6.039
  775   1HD   ARG  96          HD2       ARG  96  -8.392 -15.968   4.215
  776   2HD   ARG  96          HD1       ARG  96  -9.868 -15.958   5.177
  777    HE   ARG  96           HE       ARG  96  -7.661 -16.476   6.843
  778   1HH1  ARG  96          HH11      ARG  96  -9.091 -13.900   4.989
  779   2HH1  ARG  96          HH12      ARG  96  -8.466 -12.646   6.005
  780   1HH2  ARG  96          HH21      ARG  96  -6.833 -14.834   8.190
  781   2HH2  ARG  96          HH22      ARG  96  -7.181 -13.177   7.827
  782    H    LYS  97           HN       LYS  97  -9.713 -18.995   2.565
  783    HA   LYS  97           HA       LYS  97 -10.283 -21.734   3.170
  784   1HB   LYS  97          HB2       LYS  97 -12.402 -21.192   1.805
  785   2HB   LYS  97          HB1       LYS  97 -12.153 -20.298   3.298
  786   1HG   LYS  97          HG2       LYS  97 -12.167 -18.346   2.209
  787   2HG   LYS  97          HG1       LYS  97 -10.929 -18.922   1.088
  788   1HD   LYS  97          HD2       LYS  97 -12.737 -20.102  -0.176
  789   2HD   LYS  97          HD1       LYS  97 -13.910 -19.280   0.857
  790   1HE   LYS  97          HE2       LYS  97 -13.773 -17.447  -0.387
  791   2HE   LYS  97          HE1       LYS  97 -12.025 -17.374  -0.124
  792   1HZ   LYS  97          HZ1       LYS  97 -11.790 -18.971  -1.981
  793   2HZ   LYS  97          HZ2       LYS  97 -12.461 -17.495  -2.458
  794   3HZ   LYS  97          HZ3       LYS  97 -13.452 -18.852  -2.273
  795    H    LYS  98           HN       LYS  98  -8.566 -22.747   1.993
  796    HA   LYS  98           HA       LYS  98  -8.941 -22.779  -0.925
  797   1HB   LYS  98          HB2       LYS  98  -6.538 -23.032   0.821
  798   2HB   LYS  98          HB1       LYS  98  -6.551 -23.928  -0.692
  799   1HG   LYS  98          HG2       LYS  98  -7.201 -21.009  -0.656
  800   2HG   LYS  98          HG1       LYS  98  -5.519 -21.553  -0.635
  801   1HD   LYS  98          HD2       LYS  98  -5.900 -22.813  -2.695
  802   2HD   LYS  98          HD1       LYS  98  -7.592 -22.315  -2.702
  803   1HE   LYS  98          HE2       LYS  98  -6.964 -20.013  -3.007
  804   2HE   LYS  98          HE1       LYS  98  -5.257 -20.412  -2.824
  805   1HZ   LYS  98          HZ1       LYS  98  -5.384 -21.723  -4.849
  806   2HZ   LYS  98          HZ2       LYS  98  -5.862 -20.128  -5.146
  807   3HZ   LYS  98          HZ3       LYS  98  -7.026 -21.349  -5.019
  808   1H    MET   1          HT1       MET   1  19.579  -4.343  -2.542
  809   2H    MET   1          HT2       MET   1  18.130  -3.564  -2.157
  810   3H    MET   1          HT3       MET   1  18.710  -3.531  -3.744
  811    HA   MET   1           HA       MET   1  18.450  -5.952  -3.882
  812   1HB   MET   1          HB2       MET   1  17.318  -5.502  -1.132
  813   2HB   MET   1          HB1       MET   1  16.816  -6.852  -2.106
  814   1HG   MET   1          HG2       MET   1  18.982  -6.694  -0.362
  815   2HG   MET   1          HG1       MET   1  18.538  -8.039  -1.378
  816   1HE   MET   1          HE1       MET   1  22.374  -8.035  -2.046
  817   2HE   MET   1          HE2       MET   1  20.965  -9.004  -1.623
  818   3HE   MET   1          HE3       MET   1  21.554  -7.771  -0.509
  819    H    ALA   2           HN       ALA   2  16.115  -7.003  -3.907
  820    HA   ALA   2           HA       ALA   2  14.302  -4.908  -4.846
  821   1HB   ALA   2          HB1       ALA   2  13.479  -6.242  -6.538
  822   2HB   ALA   2          HB2       ALA   2  14.045  -7.719  -5.785
  823   3HB   ALA   2          HB3       ALA   2  15.200  -6.623  -6.543
  824    H    ALA   3           HN       ALA   3  12.054  -5.222  -4.576
  825    HA   ALA   3           HA       ALA   3  11.388  -6.415  -2.006
  826   1HB   ALA   3          HB1       ALA   3   9.278  -5.229  -3.657
  827   2HB   ALA   3          HB2       ALA   3  10.613  -4.153  -3.266
  828   3HB   ALA   3          HB3       ALA   3   9.712  -4.940  -1.975
  829    H    GLU   4           HN       GLU   4  11.807  -8.628  -2.833
  830    HA   GLU   4           HA       GLU   4  10.187  -9.766  -4.859
  831   1HB   GLU   4          HB2       GLU   4  10.842 -11.942  -3.292
  832   2HB   GLU   4          HB1       GLU   4  11.776 -11.326  -4.644
  833   1HG   GLU   4          HG2       GLU   4  13.142 -11.775  -2.672
  834   2HG   GLU   4          HG1       GLU   4  13.201 -10.087  -3.166
  835    H    THR   5           HN       THR   5   9.981 -11.253  -1.641
  836    HA   THR   5           HA       THR   5   7.196 -11.591  -1.908
  837    HB   THR   5           HB       THR   5   8.531 -11.721   0.767
  838    HG1  THR   5           HG1      THR   5  10.029 -12.854  -0.313
  839   1HG2  THR   5          HG21      THR   5   6.104 -12.689  -0.450
  840   2HG2  THR   5          HG22      THR   5   6.576 -12.703   1.247
  841   3HG2  THR   5          HG23      THR   5   7.041 -14.032   0.195
  842    H    LEU   6           HN       LEU   6   6.605 -10.823   1.007
  843    HA   LEU   6           HA       LEU   6   5.639  -8.188   0.418
  844   1HB   LEU   6          HB2       LEU   6   5.525  -9.614   3.072
  845   2HB   LEU   6          HB1       LEU   6   4.558  -8.262   2.542
  846    HG   LEU   6           HG       LEU   6   3.477  -9.819   0.869
  847   1HD1  LEU   6          HD11      LEU   6   4.899 -11.654   0.671
  848   2HD1  LEU   6          HD12      LEU   6   3.602 -12.258   1.695
  849   3HD1  LEU   6          HD13      LEU   6   5.142 -11.778   2.409
  850   1HD2  LEU   6          HD21      LEU   6   2.099  -9.346   2.633
  851   2HD2  LEU   6          HD22      LEU   6   3.243  -9.953   3.828
  852   3HD2  LEU   6          HD23      LEU   6   2.301 -11.083   2.861
  853    H    THR   7           HN       THR   7   6.797  -6.374   0.854
  854    HA   THR   7           HA       THR   7   9.194  -6.553   2.358
  855    HB   THR   7           HB       THR   7   9.019  -3.961   2.322
  856    HG1  THR   7           HG1      THR   7   7.555  -3.238   0.657
  857   1HG2  THR   7          HG21      THR   7  10.584  -4.874   0.826
  858   2HG2  THR   7          HG22      THR   7   9.508  -3.955  -0.220
  859   3HG2  THR   7          HG23      THR   7   9.349  -5.707  -0.120
  860    H    GLU   8           HN       GLU   8   9.545  -5.073   4.328
  861    HA   GLU   8           HA       GLU   8   8.219  -6.001   6.495
  862   1HB   GLU   8          HB2       GLU   8   9.005  -3.102   6.430
  863   2HB   GLU   8          HB1       GLU   8   9.096  -4.231   7.774
  864   1HG   GLU   8          HG2       GLU   8  10.836  -5.483   6.440
  865   2HG   GLU   8          HG1       GLU   8  10.862  -4.100   5.350
  866    H    LEU   9           HN       LEU   9   7.120  -3.565   4.327
  867    HA   LEU   9           HA       LEU   9   5.111  -2.286   5.653
  868   1HB   LEU   9          HB2       LEU   9   4.655  -3.295   2.857
  869   2HB   LEU   9          HB1       LEU   9   4.191  -1.761   3.574
  870    HG   LEU   9           HG       LEU   9   6.934  -2.607   2.677
  871   1HD1  LEU   9          HD11      LEU   9   6.608  -0.194   1.664
  872   2HD1  LEU   9          HD12      LEU   9   4.911  -0.666   1.778
  873   3HD1  LEU   9          HD13      LEU   9   6.047  -1.661   0.874
  874   1HD2  LEU   9          HD21      LEU   9   7.288  -0.069   3.576
  875   2HD2  LEU   9          HD22      LEU   9   7.744  -1.530   4.452
  876   3HD2  LEU   9          HD23      LEU   9   6.215  -0.740   4.807
  877    H    GLU  10           HN       GLU  10   5.202  -5.622   4.695
  878    HA   GLU  10           HA       GLU  10   2.510  -6.279   4.650
  879   1HB   GLU  10          HB2       GLU  10   3.400  -8.458   5.874
  880   2HB   GLU  10          HB1       GLU  10   3.763  -8.129   4.188
  881   1HG   GLU  10          HG2       GLU  10   5.945  -7.997   4.579
  882   2HG   GLU  10          HG1       GLU  10   5.716  -6.966   5.991
  883    H    ALA  11           HN       ALA  11   4.626  -5.582   7.361
  884    HA   ALA  11           HA       ALA  11   2.883  -6.326   9.447
  885   1HB   ALA  11          HB1       ALA  11   4.640  -3.937   9.760
  886   2HB   ALA  11          HB2       ALA  11   5.396  -5.500   9.464
  887   3HB   ALA  11          HB3       ALA  11   4.357  -5.278  10.870
  888    H    ALA  12           HN       ALA  12   3.208  -3.477   7.462
  889    HA   ALA  12           HA       ALA  12   1.350  -1.844   8.823
  890   1HB   ALA  12          HB1       ALA  12   1.994  -1.753   5.879
  891   2HB   ALA  12          HB2       ALA  12   3.016  -1.046   7.130
  892   3HB   ALA  12          HB3       ALA  12   1.377  -0.442   6.883
  893    H    ILE  13           HN       ILE  13   1.046  -4.488   6.588
  894    HA   ILE  13           HA       ILE  13  -1.473  -4.080   5.553
  895    HB   ILE  13           HB       ILE  13   0.249  -6.093   5.280
  896   1HG1  ILE  13          HG12      ILE  13  -1.691  -5.504   3.835
  897   2HG1  ILE  13          HG11      ILE  13  -1.414  -7.238   3.965
  898   1HG2  ILE  13          HG21      ILE  13  -1.888  -7.491   6.855
  899   2HG2  ILE  13          HG22      ILE  13  -0.385  -6.958   7.603
  900   3HG2  ILE  13          HG23      ILE  13  -0.345  -8.124   6.280
  901   1HD1  ILE  13          HD11      ILE  13  -3.740  -6.916   4.106
  902   2HD1  ILE  13          HD12      ILE  13  -3.566  -5.598   5.263
  903   3HD1  ILE  13          HD13      ILE  13  -3.200  -7.253   5.750
  904    H    GLU  14           HN       GLU  14  -0.483  -4.862   8.764
  905    HA   GLU  14           HA       GLU  14  -2.919  -5.842   9.790
  906   1HB   GLU  14          HB2       GLU  14  -0.666  -4.438  11.235
  907   2HB   GLU  14          HB1       GLU  14  -1.936  -5.387  11.993
  908   1HG   GLU  14          HG2       GLU  14  -1.142  -7.385  10.858
  909   2HG   GLU  14          HG1       GLU  14   0.114  -6.441  10.059
  910    H    THR  15           HN       THR  15  -1.628  -2.547   9.432
  911    HA   THR  15           HA       THR  15  -3.716  -1.412  10.971
  912    HB   THR  15           HB       THR  15  -1.880  -0.040   9.023
  913    HG1  THR  15           HG1      THR  15  -0.792   0.539  11.073
  914   1HG2  THR  15          HG21      THR  15  -2.411   1.964  10.436
  915   2HG2  THR  15          HG22      THR  15  -3.649   0.998  11.237
  916   3HG2  THR  15          HG23      THR  15  -3.779   1.344   9.512
  917    H    VAL  16           HN       VAL  16  -2.849  -1.073   7.563
  918    HA   VAL  16           HA       VAL  16  -5.100   0.126   6.581
  919    HB   VAL  16           HB       VAL  16  -3.191  -0.208   5.179
  920   1HG1  VAL  16          HG11      VAL  16  -2.505  -2.403   4.378
  921   2HG1  VAL  16          HG12      VAL  16  -3.785  -3.162   5.326
  922   3HG1  VAL  16          HG13      VAL  16  -2.459  -2.333   6.138
  923   1HG2  VAL  16          HG21      VAL  16  -4.431  -1.722   3.289
  924   2HG2  VAL  16          HG22      VAL  16  -4.752  -0.018   3.581
  925   3HG2  VAL  16          HG23      VAL  16  -5.803  -1.238   4.284
  926    H    VAL  17           HN       VAL  17  -4.669  -3.319   7.267
  927    HA   VAL  17           HA       VAL  17  -7.178  -4.104   6.155
  928    HB   VAL  17           HB       VAL  17  -5.243  -5.664   6.512
  929   1HG1  VAL  17          HG11      VAL  17  -6.169  -5.779   9.372
  930   2HG1  VAL  17          HG12      VAL  17  -4.769  -4.852   8.842
  931   3HG1  VAL  17          HG13      VAL  17  -4.790  -6.602   8.642
  932   1HG2  VAL  17          HG21      VAL  17  -7.901  -6.446   7.700
  933   2HG2  VAL  17          HG22      VAL  17  -6.654  -7.575   7.167
  934   3HG2  VAL  17          HG23      VAL  17  -7.445  -6.517   5.998
  935    H    SER  18           HN       SER  18  -5.993  -3.211   9.342
  936    HA   SER  18           HA       SER  18  -8.510  -3.726  10.645
  937   1HB   SER  18          HB2       SER  18  -5.992  -2.391  11.659
  938   2HB   SER  18          HB1       SER  18  -7.385  -2.814  12.655
  939    HG   SER  18           HG       SER  18  -6.426  -4.669  12.852
  940    H    THR  19           HN       THR  19  -7.228  -1.127   8.869
  941    HA   THR  19           HA       THR  19  -8.746   0.891  10.280
  942    HB   THR  19           HB       THR  19  -7.956   2.467   8.537
  943    HG1  THR  19           HG1      THR  19  -7.036   0.082   7.404
  944   1HG2  THR  19          HG21      THR  19  -5.508   2.279   9.120
  945   2HG2  THR  19          HG22      THR  19  -5.911   0.788   9.971
  946   3HG2  THR  19          HG23      THR  19  -6.619   2.316  10.488
  947    H    PHE  20           HN       PHE  20  -8.698   0.783   6.765
  948    HA   PHE  20           HA       PHE  20 -11.486   1.351   6.681
  949   1HB   PHE  20          HB2       PHE  20 -10.065   2.354   5.017
  950   2HB   PHE  20          HB1       PHE  20  -9.479   0.772   4.517
  951    HD1  PHE  20           HD1      PHE  20 -13.002   1.328   5.266
  952    HD2  PHE  20           HD2      PHE  20 -10.053   1.120   2.211
  953    HE1  PHE  20           HE1      PHE  20 -14.777   1.183   3.575
  954    HE2  PHE  20           HE2      PHE  20 -11.830   0.983   0.504
  955    HZ   PHE  20           HZ       PHE  20 -14.189   1.019   1.190
  956    H    PHE  21           HN       PHE  21  -9.521  -1.410   5.741
  957    HA   PHE  21           HA       PHE  21 -11.549  -2.902   4.671
  958   1HB   PHE  21          HB2       PHE  21  -9.076  -3.953   6.048
  959   2HB   PHE  21          HB1       PHE  21 -10.060  -4.836   4.891
  960    HD1  PHE  21           HD1      PHE  21 -10.228  -1.761   3.532
  961    HD2  PHE  21           HD2      PHE  21  -7.292  -4.734   4.349
  962    HE1  PHE  21           HE1      PHE  21  -8.809  -0.850   1.759
  963    HE2  PHE  21           HE2      PHE  21  -5.875  -3.817   2.581
  964    HZ   PHE  21           HZ       PHE  21  -6.627  -1.873   1.269
  965    H    THR  22           HN       THR  22 -11.345  -1.988   7.876
  966    HA   THR  22           HA       THR  22 -12.616  -4.140   9.084
  967    HB   THR  22           HB       THR  22 -13.521  -2.495  10.677
  968    HG1  THR  22           HG1      THR  22 -13.485  -0.882   8.631
  969   1HG2  THR  22          HG21      THR  22 -11.267  -3.210  11.021
  970   2HG2  THR  22          HG22      THR  22 -11.335  -1.472  11.315
  971   3HG2  THR  22          HG23      THR  22 -10.673  -2.086   9.797
  972    H    PHE  23           HN       PHE  23 -13.652  -2.005   6.602
  973    HA   PHE  23           HA       PHE  23 -16.403  -2.037   7.069
  974   1HB   PHE  23          HB2       PHE  23 -16.639  -0.891   5.051
  975   2HB   PHE  23          HB1       PHE  23 -15.086  -0.424   5.707
  976    HD1  PHE  23           HD1      PHE  23 -13.223  -2.289   4.769
  977    HD2  PHE  23           HD2      PHE  23 -16.607  -0.727   2.760
  978    HE1  PHE  23           HE1      PHE  23 -12.045  -2.520   2.631
  979    HE2  PHE  23           HE2      PHE  23 -15.467  -0.988   0.615
  980    HZ   PHE  23           HZ       PHE  23 -13.175  -1.894   0.533
  981    H    ALA  24           HN       ALA  24 -14.429  -4.563   5.794
  982    HA   ALA  24           HA       ALA  24 -16.233  -5.980   4.228
  983   1HB   ALA  24          HB1       ALA  24 -13.880  -6.621   5.805
  984   2HB   ALA  24          HB2       ALA  24 -14.438  -7.314   4.283
  985   3HB   ALA  24          HB3       ALA  24 -15.053  -7.935   5.808
  986    H    GLY  25           HN       GLY  25 -16.304  -5.298   7.604
  987   1HA   GLY  25          HA2       GLY  25 -17.740  -7.214   8.827
  988   2HA   GLY  25          HA1       GLY  25 -18.074  -5.509   9.088
  989    H    ARG  26           HN       ARG  26 -18.987  -5.118   6.310
  990    HA   ARG  26           HA       ARG  26 -21.726  -5.518   6.632
  991   1HB   ARG  26          HB2       ARG  26 -20.343  -4.103   4.897
  992   2HB   ARG  26          HB1       ARG  26 -20.518  -5.522   3.888
  993   1HG   ARG  26          HG2       ARG  26 -22.282  -4.124   3.276
  994   2HG   ARG  26          HG1       ARG  26 -23.014  -5.333   4.334
  995   1HD   ARG  26          HD2       ARG  26 -22.993  -3.797   6.186
  996   2HD   ARG  26          HD1       ARG  26 -22.093  -2.614   5.241
  997    HE   ARG  26           HE       ARG  26 -24.040  -2.010   4.166
  998   1HH1  ARG  26          HH11      ARG  26 -24.583  -4.886   6.062
  999   2HH1  ARG  26          HH12      ARG  26 -26.305  -4.818   5.902
 1000   1HH2  ARG  26          HH21      ARG  26 -26.305  -1.918   3.951
 1001   2HH2  ARG  26          HH22      ARG  26 -27.284  -3.133   4.704
 1002    H    GLU  27           HN       GLU  27 -19.556  -7.216   4.412
 1003    HA   GLU  27           HA       GLU  27 -20.896  -9.746   5.020
 1004   1HB   GLU  27          HB2       GLU  27 -21.048 -10.255   2.559
 1005   2HB   GLU  27          HB1       GLU  27 -22.166  -9.026   3.133
 1006   1HG   GLU  27          HG2       GLU  27 -20.630  -7.287   2.296
 1007   2HG   GLU  27          HG1       GLU  27 -19.592  -8.556   1.647
 1008    H    GLY  28           HN       GLY  28 -19.093 -10.674   5.891
 1009   1HA   GLY  28          HA2       GLY  28 -16.878 -11.136   4.022
 1010   2HA   GLY  28          HA1       GLY  28 -16.515 -10.479   5.606
 1011    H    ARG  29           HN       ARG  29 -18.223 -13.216   4.096
 1012    HA   ARG  29           HA       ARG  29 -17.805 -14.845   6.430
 1013   1HB   ARG  29          HB2       ARG  29 -19.803 -15.314   5.221
 1014   2HB   ARG  29          HB1       ARG  29 -18.944 -15.399   3.691
 1015   1HG   ARG  29          HG2       ARG  29 -17.761 -17.445   4.614
 1016   2HG   ARG  29          HG1       ARG  29 -18.941 -17.403   5.931
 1017   1HD   ARG  29          HD2       ARG  29 -20.758 -17.544   4.279
 1018   2HD   ARG  29          HD1       ARG  29 -19.560 -17.624   2.987
 1019    HE   ARG  29           HE       ARG  29 -19.027 -19.667   4.825
 1020   1HH1  ARG  29          HH11      ARG  29 -21.439 -18.755   2.485
 1021   2HH1  ARG  29          HH12      ARG  29 -21.897 -20.387   2.129
 1022   1HH2  ARG  29          HH21      ARG  29 -19.619 -21.819   4.362
 1023   2HH2  ARG  29          HH22      ARG  29 -20.862 -22.130   3.196
 1024    H    LYS  30           HN       LYS  30 -17.107 -15.912   3.151
 1025    HA   LYS  30           HA       LYS  30 -14.315 -16.364   3.929
 1026   1HB   LYS  30          HB2       LYS  30 -16.188 -18.269   2.529
 1027   2HB   LYS  30          HB1       LYS  30 -14.443 -18.468   2.514
 1028   1HG   LYS  30          HG2       LYS  30 -14.390 -18.728   4.897
 1029   2HG   LYS  30          HG1       LYS  30 -16.109 -18.353   5.017
 1030   1HD   LYS  30          HD2       LYS  30 -16.632 -20.360   3.707
 1031   2HD   LYS  30          HD1       LYS  30 -14.912 -20.734   3.602
 1032   1HE   LYS  30          HE2       LYS  30 -14.801 -20.945   6.031
 1033   2HE   LYS  30          HE1       LYS  30 -16.513 -20.537   6.152
 1034   1HZ   LYS  30          HZ1       LYS  30 -17.046 -22.532   4.906
 1035   2HZ   LYS  30          HZ2       LYS  30 -16.147 -22.924   6.284
 1036   3HZ   LYS  30          HZ3       LYS  30 -15.404 -22.919   4.765
 1037    H    GLY  31           HN       GLY  31 -16.417 -14.920   1.725
 1038   1HA   GLY  31          HA2       GLY  31 -14.469 -15.042  -0.479
 1039   2HA   GLY  31          HA1       GLY  31 -16.140 -14.473  -0.600
 1040    H    SER  32           HN       SER  32 -16.455 -12.296  -0.542
 1041    HA   SER  32           HA       SER  32 -14.414 -10.715   0.789
 1042   1HB   SER  32          HB2       SER  32 -14.188  -9.217  -1.176
 1043   2HB   SER  32          HB1       SER  32 -13.511 -10.826  -1.357
 1044    HG   SER  32           HG       SER  32 -15.567 -11.373  -2.401
 1045    H    LEU  33           HN       LEU  33 -14.746  -8.361   0.471
 1046    HA   LEU  33           HA       LEU  33 -17.456  -7.709   1.253
 1047   1HB   LEU  33          HB2       LEU  33 -15.740  -6.937   2.723
 1048   2HB   LEU  33          HB1       LEU  33 -14.860  -6.233   1.387
 1049    HG   LEU  33           HG       LEU  33 -16.725  -4.628   1.044
 1050   1HD1  LEU  33          HD11      LEU  33 -17.802  -4.985   3.729
 1051   2HD1  LEU  33          HD12      LEU  33 -18.177  -6.312   2.632
 1052   3HD1  LEU  33          HD13      LEU  33 -18.628  -4.661   2.206
 1053   1HD2  LEU  33          HD21      LEU  33 -16.234  -3.485   3.369
 1054   2HD2  LEU  33          HD22      LEU  33 -15.037  -3.609   2.089
 1055   3HD2  LEU  33          HD23      LEU  33 -14.996  -4.739   3.419
 1056    H    ASN  34           HN       ASN  34 -18.416  -5.698   0.416
 1057    HA   ASN  34           HA       ASN  34 -17.885  -5.497  -2.431
 1058   1HB   ASN  34          HB2       ASN  34 -20.245  -5.383  -0.629
 1059   2HB   ASN  34          HB1       ASN  34 -20.331  -4.430  -2.107
 1060   1HD2  ASN  34          HD21      ASN  34 -21.955  -5.672  -2.992
 1061   2HD2  ASN  34          HD22      ASN  34 -21.695  -7.281  -3.566
 1062    H    ILE  35           HN       ILE  35 -19.244  -3.211  -2.885
 1063    HA   ILE  35           HA       ILE  35 -17.514  -1.215  -1.659
 1064    HB   ILE  35           HB       ILE  35 -18.457   0.242  -3.604
 1065   1HG1  ILE  35          HG12      ILE  35 -19.041  -1.022  -5.593
 1066   2HG1  ILE  35          HG11      ILE  35 -18.816  -2.541  -4.731
 1067   1HG2  ILE  35          HG21      ILE  35 -16.166  -0.173  -3.526
 1068   2HG2  ILE  35          HG22      ILE  35 -16.656  -0.772  -5.110
 1069   3HG2  ILE  35          HG23      ILE  35 -16.375  -1.903  -3.785
 1070   1HD1  ILE  35          HD11      ILE  35 -20.915  -0.465  -4.153
 1071   2HD1  ILE  35          HD12      ILE  35 -20.679  -1.962  -3.252
 1072   3HD1  ILE  35          HD13      ILE  35 -21.167  -2.020  -4.947
 1073    H    ASN  36           HN       ASN  36 -20.133  -2.298  -0.618
 1074    HA   ASN  36           HA       ASN  36 -21.966  -0.107  -0.701
 1075   1HB   ASN  36          HB2       ASN  36 -22.853  -2.312  -0.271
 1076   2HB   ASN  36          HB1       ASN  36 -21.787  -2.525   1.116
 1077   1HD2  ASN  36          HD21      ASN  36 -24.665  -1.031  -0.096
 1078   2HD2  ASN  36          HD22      ASN  36 -25.285  -0.507   1.429
 1079    H    GLU  37           HN       GLU  37 -20.123  -1.511   2.036
 1080    HA   GLU  37           HA       GLU  37 -20.296   0.832   3.572
 1081   1HB   GLU  37          HB2       GLU  37 -18.170  -1.293   3.564
 1082   2HB   GLU  37          HB1       GLU  37 -18.313  -0.038   4.788
 1083   1HG   GLU  37          HG2       GLU  37 -20.727  -0.972   5.027
 1084   2HG   GLU  37          HG1       GLU  37 -20.020  -2.404   4.270
 1085    H    PHE  38           HN       PHE  38 -18.091  -0.141   1.002
 1086    HA   PHE  38           HA       PHE  38 -16.105   1.728   1.228
 1087   1HB   PHE  38          HB2       PHE  38 -16.525  -0.032  -0.611
 1088   2HB   PHE  38          HB1       PHE  38 -17.460   1.221  -1.411
 1089    HD1  PHE  38           HD1      PHE  38 -16.197   3.531  -1.583
 1090    HD2  PHE  38           HD2      PHE  38 -14.328  -0.260  -1.178
 1091    HE1  PHE  38           HE1      PHE  38 -14.149   4.435  -2.583
 1092    HE2  PHE  38           HE2      PHE  38 -12.267   0.636  -2.183
 1093    HZ   PHE  38           HZ       PHE  38 -12.176   2.995  -2.889
 1094    H    LYS  39           HN       LYS  39 -19.447   2.140   0.357
 1095    HA   LYS  39           HA       LYS  39 -19.390   4.704  -0.739
 1096   1HB   LYS  39          HB2       LYS  39 -21.571   3.465   0.934
 1097   2HB   LYS  39          HB1       LYS  39 -21.765   4.790  -0.209
 1098   1HG   LYS  39          HG2       LYS  39 -20.490   2.542  -1.434
 1099   2HG   LYS  39          HG1       LYS  39 -22.025   2.064  -0.702
 1100   1HD   LYS  39          HD2       LYS  39 -23.173   3.833  -1.907
 1101   2HD   LYS  39          HD1       LYS  39 -21.646   4.365  -2.620
 1102   1HE   LYS  39          HE2       LYS  39 -22.868   3.025  -4.212
 1103   2HE   LYS  39          HE1       LYS  39 -21.425   2.155  -3.692
 1104   1HZ   LYS  39          HZ1       LYS  39 -24.187   1.699  -2.704
 1105   2HZ   LYS  39          HZ2       LYS  39 -22.809   0.890  -2.149
 1106   3HZ   LYS  39          HZ3       LYS  39 -23.322   0.688  -3.749
 1107    H    GLU  40           HN       GLU  40 -18.806   3.682   2.444
 1108    HA   GLU  40           HA       GLU  40 -19.376   6.224   3.654
 1109   1HB   GLU  40          HB2       GLU  40 -18.812   5.244   5.675
 1110   2HB   GLU  40          HB1       GLU  40 -19.304   3.826   4.759
 1111   1HG   GLU  40          HG2       GLU  40 -17.001   3.244   4.342
 1112   2HG   GLU  40          HG1       GLU  40 -16.451   4.738   5.097
 1113    H    LEU  41           HN       LEU  41 -17.082   5.257   1.474
 1114    HA   LEU  41           HA       LEU  41 -14.778   6.418   2.711
 1115   1HB   LEU  41          HB2       LEU  41 -15.259   5.336  -0.034
 1116   2HB   LEU  41          HB1       LEU  41 -13.723   5.991   0.476
 1117    HG   LEU  41           HG       LEU  41 -15.056   3.437   1.226
 1118   1HD1  LEU  41          HD11      LEU  41 -12.195   3.425   1.008
 1119   2HD1  LEU  41          HD12      LEU  41 -12.902   4.230  -0.391
 1120   3HD1  LEU  41          HD13      LEU  41 -13.394   2.588   0.022
 1121   1HD2  LEU  41          HD21      LEU  41 -13.375   5.132   2.984
 1122   2HD2  LEU  41          HD22      LEU  41 -12.969   3.423   2.915
 1123   3HD2  LEU  41          HD23      LEU  41 -14.588   3.923   3.403
 1124    H    ALA  42           HN       ALA  42 -15.654   7.058  -0.635
 1125    HA   ALA  42           HA       ALA  42 -14.526   9.517  -0.841
 1126   1HB   ALA  42          HB1       ALA  42 -16.085  10.049  -2.645
 1127   2HB   ALA  42          HB2       ALA  42 -17.113   8.706  -2.136
 1128   3HB   ALA  42          HB3       ALA  42 -15.487   8.395  -2.750
 1129    H    THR  43           HN       THR  43 -17.613   8.793   0.561
 1130    HA   THR  43           HA       THR  43 -18.675  11.341   0.746
 1131    HB   THR  43           HB       THR  43 -19.840  10.383   2.838
 1132    HG1  THR  43           HG1      THR  43 -18.658   7.955   1.899
 1133   1HG2  THR  43          HG21      THR  43 -20.969  10.382   0.735
 1134   2HG2  THR  43          HG22      THR  43 -21.154   8.767   1.419
 1135   3HG2  THR  43          HG23      THR  43 -19.977   9.055   0.140
 1136    H    GLN  44           HN       GLN  44 -16.982   9.576   3.328
 1137    HA   GLN  44           HA       GLN  44 -16.494  11.998   4.846
 1138   1HB   GLN  44          HB2       GLN  44 -15.635   9.108   5.227
 1139   2HB   GLN  44          HB1       GLN  44 -15.371  10.402   6.409
 1140   1HG   GLN  44          HG2       GLN  44 -18.052   9.438   5.427
 1141   2HG   GLN  44          HG1       GLN  44 -17.303   9.002   6.966
 1142   1HE2  GLN  44          HE21      GLN  44 -18.880  11.508   5.147
 1143   2HE2  GLN  44          HE22      GLN  44 -19.173  12.573   6.475
 1144    H    GLN  45           HN       GLN  45 -14.730   9.865   2.745
 1145    HA   GLN  45           HA       GLN  45 -12.135  10.841   3.322
 1146   1HB   GLN  45          HB2       GLN  45 -13.301   9.485   0.905
 1147   2HB   GLN  45          HB1       GLN  45 -11.575   9.729   1.169
 1148   1HG   GLN  45          HG2       GLN  45 -12.033   8.452   3.384
 1149   2HG   GLN  45          HG1       GLN  45 -13.483   7.914   2.553
 1150   1HE2  GLN  45          HE21      GLN  45 -11.801   8.113  -0.037
 1151   2HE2  GLN  45          HE22      GLN  45 -10.896   6.655  -0.035
 1152    H    LEU  46           HN       LEU  46 -14.772  11.776   1.235
 1153    HA   LEU  46           HA       LEU  46 -13.762  13.423  -0.622
 1154   1HB   LEU  46          HB2       LEU  46 -16.231  13.435   0.928
 1155   2HB   LEU  46          HB1       LEU  46 -15.741  15.056   0.494
 1156    HG   LEU  46           HG       LEU  46 -16.628  12.817  -1.289
 1157   1HD1  LEU  46          HD11      LEU  46 -17.279  15.749  -1.096
 1158   2HD1  LEU  46          HD12      LEU  46 -18.276  14.406  -0.536
 1159   3HD1  LEU  46          HD13      LEU  46 -17.974  14.621  -2.261
 1160   1HD2  LEU  46          HD21      LEU  46 -14.827  15.105  -2.052
 1161   2HD2  LEU  46          HD22      LEU  46 -15.865  14.277  -3.213
 1162   3HD2  LEU  46          HD23      LEU  46 -14.600  13.384  -2.368
 1163    HA   PRO  47           HA       PRO  47 -12.681  16.930   2.248
 1164   1HB   PRO  47          HB2       PRO  47 -13.520  17.079   4.784
 1165   2HB   PRO  47          HB1       PRO  47 -14.573  17.570   3.452
 1166   1HG   PRO  47          HG2       PRO  47 -14.544  15.023   5.020
 1167   2HG   PRO  47          HG1       PRO  47 -15.930  15.982   4.473
 1168   1HD   PRO  47          HD2       PRO  47 -15.022  13.731   3.190
 1169   2HD   PRO  47          HD1       PRO  47 -15.906  15.045   2.393
 1170    H    HIS  48           HN       HIS  48 -10.833  15.780   2.008
 1171    HA   HIS  48           HA       HIS  48  -9.678  14.535   4.363
 1172   1HB   HIS  48          HB2       HIS  48  -9.512  14.211   1.559
 1173   2HB   HIS  48          HB1       HIS  48  -7.894  14.640   2.153
 1174    HD1  HIS  48           HD1      HIS  48 -10.558  12.011   2.527
 1175    HD2  HIS  48           HD2      HIS  48  -6.612  12.665   3.645
 1176    HE1  HIS  48           HE1      HIS  48  -9.765   9.829   3.487
 1177    HE2  HIS  48           HE2      HIS  48  -7.410  10.281   4.259
 1178    H    LEU  49           HN       LEU  49  -7.012  15.188   3.800
 1179    HA   LEU  49           HA       LEU  49  -6.923  17.944   4.657
 1180   1HB   LEU  49          HB2       LEU  49  -4.751  15.902   4.117
 1181   2HB   LEU  49          HB1       LEU  49  -4.415  17.550   4.610
 1182    HG   LEU  49           HG       LEU  49  -4.253  16.074   6.516
 1183   1HD1  LEU  49          HD11      LEU  49  -5.104  18.308   6.932
 1184   2HD1  LEU  49          HD12      LEU  49  -5.862  17.145   8.019
 1185   3HD1  LEU  49          HD13      LEU  49  -6.751  17.756   6.624
 1186   1HD2  LEU  49          HD21      LEU  49  -5.744  14.304   5.651
 1187   2HD2  LEU  49          HD22      LEU  49  -7.131  15.337   6.000
 1188   3HD2  LEU  49          HD23      LEU  49  -6.110  14.757   7.316
 1189    H    LEU  50           HN       LEU  50  -4.781  16.444   2.288
 1190    HA   LEU  50           HA       LEU  50  -5.187  18.634   0.426
 1191   1HB   LEU  50          HB2       LEU  50  -2.914  17.712   0.904
 1192   2HB   LEU  50          HB1       LEU  50  -3.414  16.198   0.174
 1193    HG   LEU  50           HG       LEU  50  -3.731  17.341  -1.982
 1194   1HD1  LEU  50          HD11      LEU  50  -2.947  19.634  -2.276
 1195   2HD1  LEU  50          HD12      LEU  50  -2.643  19.757  -0.543
 1196   3HD1  LEU  50          HD13      LEU  50  -4.292  19.559  -1.138
 1197   1HD2  LEU  50          HD21      LEU  50  -1.586  16.299  -1.485
 1198   2HD2  LEU  50          HD22      LEU  50  -1.022  17.792  -0.734
 1199   3HD2  LEU  50          HD23      LEU  50  -1.366  17.750  -2.463
 1200    H    LYS  51           HN       LYS  51  -7.547  17.406   0.642
 1201    HA   LYS  51           HA       LYS  51  -8.269  15.146  -0.569
 1202   1HB   LYS  51          HB2       LYS  51  -9.931  16.441   0.418
 1203   2HB   LYS  51          HB1       LYS  51  -9.583  17.837  -0.594
 1204   1HG   LYS  51          HG2       LYS  51 -10.427  16.548  -2.545
 1205   2HG   LYS  51          HG1       LYS  51 -10.930  15.254  -1.451
 1206   1HD   LYS  51          HD2       LYS  51 -12.219  17.784  -2.143
 1207   2HD   LYS  51          HD1       LYS  51 -12.901  16.349  -1.388
 1208   1HE   LYS  51          HE2       LYS  51 -11.832  17.177   0.764
 1209   2HE   LYS  51          HE1       LYS  51 -11.560  18.698  -0.073
 1210   1HZ   LYS  51          HZ1       LYS  51 -13.611  18.744   1.205
 1211   2HZ   LYS  51          HZ2       LYS  51 -14.205  17.413   0.347
 1212   3HZ   LYS  51          HZ3       LYS  51 -13.938  18.881  -0.450
 1213    H    ASP  52           HN       ASP  52  -9.254  14.636  -2.565
 1214    HA   ASP  52           HA       ASP  52  -7.815  15.769  -4.869
 1215   1HB   ASP  52          HB2       ASP  52  -8.910  12.993  -4.375
 1216   2HB   ASP  52          HB1       ASP  52  -8.348  13.540  -5.953
 1217    H    VAL  53           HN       VAL  53 -10.895  14.955  -3.515
 1218    HA   VAL  53           HA       VAL  53 -12.914  15.932  -3.888
 1219    HB   VAL  53           HB       VAL  53 -11.860  16.695  -6.561
 1220   1HG1  VAL  53          HG11      VAL  53 -13.790  18.192  -6.688
 1221   2HG1  VAL  53          HG12      VAL  53 -14.353  17.573  -5.136
 1222   3HG1  VAL  53          HG13      VAL  53 -14.284  16.506  -6.538
 1223   1HG2  VAL  53          HG21      VAL  53 -12.120  18.317  -4.049
 1224   2HG2  VAL  53          HG22      VAL  53 -11.704  18.976  -5.631
 1225   3HG2  VAL  53          HG23      VAL  53 -10.619  17.832  -4.839
 1226    H    GLY  54           HN       GLY  54 -13.206  13.597  -3.771
 1227   1HA   GLY  54          HA2       GLY  54 -13.478  11.873  -5.915
 1228   2HA   GLY  54          HA1       GLY  54 -14.412  11.772  -4.434
 1229    H    SER  55           HN       SER  55 -14.426  12.602  -7.752
 1230    HA   SER  55           HA       SER  55 -16.775  14.140  -7.888
 1231   1HB   SER  55          HB2       SER  55 -16.688  13.747 -10.236
 1232   2HB   SER  55          HB1       SER  55 -15.012  13.786  -9.669
 1233    HG   SER  55           HG       SER  55 -14.865  11.908 -10.588
 1234    H    LEU  56           HN       LEU  56 -18.806  13.599  -7.519
 1235    HA   LEU  56           HA       LEU  56 -19.757  11.359  -6.403
 1236   1HB   LEU  56          HB2       LEU  56 -21.273  13.012  -8.422
 1237   2HB   LEU  56          HB1       LEU  56 -21.993  11.946  -7.231
 1238    HG   LEU  56           HG       LEU  56 -20.403  14.442  -6.628
 1239   1HD1  LEU  56          HD11      LEU  56 -22.541  15.339  -5.859
 1240   2HD1  LEU  56          HD12      LEU  56 -23.353  13.864  -6.384
 1241   3HD1  LEU  56          HD13      LEU  56 -22.596  14.924  -7.572
 1242   1HD2  LEU  56          HD21      LEU  56 -21.868  12.566  -4.775
 1243   2HD2  LEU  56          HD22      LEU  56 -21.070  14.070  -4.315
 1244   3HD2  LEU  56          HD23      LEU  56 -20.117  12.714  -4.918
 1245    H    ASP  57           HN       ASP  57 -19.218  11.708  -9.873
 1246    HA   ASP  57           HA       ASP  57 -20.589   9.306 -10.547
 1247   1HB   ASP  57          HB2       ASP  57 -19.059   9.432 -12.616
 1248   2HB   ASP  57          HB1       ASP  57 -20.332  10.640 -12.424
 1249    H    GLU  58           HN       GLU  58 -17.272  10.141 -10.142
 1250    HA   GLU  58           HA       GLU  58 -16.062   7.701 -10.667
 1251   1HB   GLU  58          HB2       GLU  58 -14.774   9.757 -10.389
 1252   2HB   GLU  58          HB1       GLU  58 -15.242   9.843  -8.694
 1253   1HG   GLU  58          HG2       GLU  58 -13.005   9.014  -8.829
 1254   2HG   GLU  58          HG1       GLU  58 -14.060   7.694  -8.323
 1255    H    LYS  59           HN       LYS  59 -17.715   8.947  -7.879
 1256    HA   LYS  59           HA       LYS  59 -17.024   6.967  -6.032
 1257   1HB   LYS  59          HB2       LYS  59 -19.315   8.867  -6.310
 1258   2HB   LYS  59          HB1       LYS  59 -19.443   7.564  -5.144
 1259   1HG   LYS  59          HG2       LYS  59 -18.695   9.620  -4.091
 1260   2HG   LYS  59          HG1       LYS  59 -17.445   8.385  -4.005
 1261   1HD   LYS  59          HD2       LYS  59 -17.247  10.056  -6.375
 1262   2HD   LYS  59          HD1       LYS  59 -17.089  10.964  -4.875
 1263   1HE   LYS  59          HE2       LYS  59 -15.126  10.002  -4.349
 1264   2HE   LYS  59          HE1       LYS  59 -15.610   8.441  -4.991
 1265   1HZ   LYS  59          HZ1       LYS  59 -13.783   9.904  -6.158
 1266   2HZ   LYS  59          HZ2       LYS  59 -15.137  10.584  -6.909
 1267   3HZ   LYS  59          HZ3       LYS  59 -14.842   8.930  -7.043
 1268    H    MET  60           HN       MET  60 -19.333   7.136  -8.618
 1269    HA   MET  60           HA       MET  60 -20.752   4.729  -7.860
 1270   1HB   MET  60          HB2       MET  60 -20.899   6.527 -10.279
 1271   2HB   MET  60          HB1       MET  60 -21.914   5.104 -10.066
 1272   1HG   MET  60          HG2       MET  60 -22.928   6.047  -8.110
 1273   2HG   MET  60          HG1       MET  60 -21.814   7.412  -8.140
 1274   1HE   MET  60          HE1       MET  60 -24.813   5.639  -9.989
 1275   2HE   MET  60          HE2       MET  60 -23.547   5.712 -11.215
 1276   3HE   MET  60          HE3       MET  60 -25.006   6.688 -11.394
 1277    H    LYS  61           HN       LYS  61 -18.376   5.612 -10.289
 1278    HA   LYS  61           HA       LYS  61 -18.451   3.105 -11.687
 1279   1HB   LYS  61          HB2       LYS  61 -15.928   4.609 -11.836
 1280   2HB   LYS  61          HB1       LYS  61 -16.966   4.021 -13.122
 1281   1HG   LYS  61          HG2       LYS  61 -17.345   6.544 -11.528
 1282   2HG   LYS  61          HG1       LYS  61 -16.789   6.426 -13.198
 1283   1HD   LYS  61          HD2       LYS  61 -19.487   5.487 -12.226
 1284   2HD   LYS  61          HD1       LYS  61 -19.185   7.038 -13.008
 1285   1HE   LYS  61          HE2       LYS  61 -18.336   5.840 -14.989
 1286   2HE   LYS  61          HE1       LYS  61 -18.724   4.309 -14.206
 1287   1HZ   LYS  61          HZ1       LYS  61 -21.046   4.933 -14.183
 1288   2HZ   LYS  61          HZ2       LYS  61 -20.448   5.005 -15.763
 1289   3HZ   LYS  61          HZ3       LYS  61 -20.689   6.431 -14.885
 1290    H    THR  62           HN       THR  62 -16.429   4.518  -9.213
 1291    HA   THR  62           HA       THR  62 -14.482   2.543  -9.122
 1292    HB   THR  62           HB       THR  62 -15.470   4.239  -6.833
 1293    HG1  THR  62           HG1      THR  62 -14.791   5.378  -8.773
 1294   1HG2  THR  62          HG21      THR  62 -12.880   2.761  -7.300
 1295   2HG2  THR  62          HG22      THR  62 -14.059   2.455  -6.024
 1296   3HG2  THR  62          HG23      THR  62 -13.124   3.950  -6.023
 1297    H    LEU  63           HN       LEU  63 -17.764   2.411  -8.139
 1298    HA   LEU  63           HA       LEU  63 -17.716   0.552  -6.070
 1299   1HB   LEU  63          HB2       LEU  63 -19.637   1.175  -8.256
 1300   2HB   LEU  63          HB1       LEU  63 -19.835  -0.342  -7.410
 1301    HG   LEU  63           HG       LEU  63 -19.806   1.135  -5.270
 1302   1HD1  LEU  63          HD11      LEU  63 -21.159   3.236  -6.698
 1303   2HD1  LEU  63          HD12      LEU  63 -19.465   3.118  -7.174
 1304   3HD1  LEU  63          HD13      LEU  63 -19.892   3.338  -5.477
 1305   1HD2  LEU  63          HD21      LEU  63 -21.718  -0.141  -5.895
 1306   2HD2  LEU  63          HD22      LEU  63 -22.084   0.953  -7.227
 1307   3HD2  LEU  63          HD23      LEU  63 -22.271   1.499  -5.564
 1308    H    ASP  64           HN       ASP  64 -18.468  -0.256  -9.421
 1309    HA   ASP  64           HA       ASP  64 -17.958  -2.985  -9.247
 1310   1HB   ASP  64          HB2       ASP  64 -17.838  -1.110 -11.608
 1311   2HB   ASP  64          HB1       ASP  64 -17.762  -2.867 -11.754
 1312    H    VAL  65           HN       VAL  65 -15.799  -0.324 -10.151
 1313    HA   VAL  65           HA       VAL  65 -13.577  -1.867 -10.896
 1314    HB   VAL  65           HB       VAL  65 -13.615   0.861  -9.585
 1315   1HG1  VAL  65          HG11      VAL  65 -11.428  -0.514 -11.141
 1316   2HG1  VAL  65          HG12      VAL  65 -11.421  -0.176  -9.410
 1317   3HG1  VAL  65          HG13      VAL  65 -11.389   1.153 -10.569
 1318   1HG2  VAL  65          HG21      VAL  65 -13.400   1.718 -11.875
 1319   2HG2  VAL  65          HG22      VAL  65 -14.896   0.811 -11.651
 1320   3HG2  VAL  65          HG23      VAL  65 -13.536   0.073 -12.496
 1321    H    ASN  66           HN       ASN  66 -13.896  -0.048  -7.867
 1322    HA   ASN  66           HA       ASN  66 -12.106  -1.837  -6.469
 1323   1HB   ASN  66          HB2       ASN  66 -13.737   0.491  -5.470
 1324   2HB   ASN  66          HB1       ASN  66 -12.434  -0.318  -4.597
 1325   1HD2  ASN  66          HD21      ASN  66 -11.186   1.543  -4.433
 1326   2HD2  ASN  66          HD22      ASN  66 -10.376   2.238  -5.791
 1327    H    GLN  67           HN       GLN  67 -14.681  -2.967  -7.359
 1328    HA   GLN  67           HA       GLN  67 -16.595  -3.111  -5.385
 1329   1HB   GLN  67          HB2       GLN  67 -17.504  -4.159  -7.117
 1330   2HB   GLN  67          HB1       GLN  67 -15.940  -4.391  -7.854
 1331   1HG   GLN  67          HG2       GLN  67 -16.616  -6.304  -5.724
 1332   2HG   GLN  67          HG1       GLN  67 -17.630  -6.349  -7.156
 1333   1HE2  GLN  67          HE21      GLN  67 -14.364  -5.312  -7.670
 1334   2HE2  GLN  67          HE22      GLN  67 -13.782  -6.803  -8.316
 1335    H    ASP  68           HN       ASP  68 -13.921  -5.368  -5.946
 1336    HA   ASP  68           HA       ASP  68 -14.376  -6.652  -3.410
 1337   1HB   ASP  68          HB2       ASP  68 -12.483  -7.211  -5.687
 1338   2HB   ASP  68          HB1       ASP  68 -12.455  -8.102  -4.168
 1339    H    SER  69           HN       SER  69 -13.315  -3.801  -3.718
 1340    HA   SER  69           HA       SER  69 -10.682  -3.449  -3.242
 1341   1HB   SER  69          HB2       SER  69 -11.473  -1.709  -1.442
 1342   2HB   SER  69          HB1       SER  69 -11.902  -1.462  -3.134
 1343    HG   SER  69           HG       SER  69 -13.931  -1.736  -2.640
 1344    H    GLU  70           HN       GLU  70 -13.035  -4.833  -1.131
 1345    HA   GLU  70           HA       GLU  70 -10.848  -5.698   0.617
 1346   1HB   GLU  70          HB2       GLU  70 -12.062  -4.254   2.006
 1347   2HB   GLU  70          HB1       GLU  70 -13.609  -4.823   1.392
 1348   1HG   GLU  70          HG2       GLU  70 -13.619  -6.636   2.736
 1349   2HG   GLU  70          HG1       GLU  70 -11.886  -6.859   2.621
 1350    H    LEU  71           HN       LEU  71 -10.877  -7.756   1.247
 1351    HA   LEU  71           HA       LEU  71 -13.104  -9.375   0.504
 1352   1HB   LEU  71          HB2       LEU  71 -11.668 -10.974  -0.691
 1353   2HB   LEU  71          HB1       LEU  71 -11.893  -9.430  -1.494
 1354    HG   LEU  71           HG       LEU  71  -9.609 -10.254  -1.626
 1355   1HD1  LEU  71          HD11      LEU  71  -8.838  -8.138  -1.609
 1356   2HD1  LEU  71          HD12      LEU  71  -9.144  -7.969   0.107
 1357   3HD1  LEU  71          HD13      LEU  71 -10.437  -7.711  -1.060
 1358   1HD2  LEU  71          HD21      LEU  71  -9.768 -11.387   0.628
 1359   2HD2  LEU  71          HD22      LEU  71  -9.286  -9.824   1.274
 1360   3HD2  LEU  71          HD23      LEU  71  -8.234 -10.677   0.150
 1361    H    ARG  72           HN       ARG  72 -12.860 -11.595   1.086
 1362    HA   ARG  72           HA       ARG  72 -11.375 -11.991   3.581
 1363   1HB   ARG  72          HB2       ARG  72 -13.623 -13.800   2.942
 1364   2HB   ARG  72          HB1       ARG  72 -13.162 -13.102   4.485
 1365   1HG   ARG  72          HG2       ARG  72 -14.743 -11.786   2.299
 1366   2HG   ARG  72          HG1       ARG  72 -15.349 -12.345   3.855
 1367   1HD   ARG  72          HD2       ARG  72 -13.580 -10.016   3.248
 1368   2HD   ARG  72          HD1       ARG  72 -15.093 -10.053   4.143
 1369    HE   ARG  72           HE       ARG  72 -13.549 -11.552   5.706
 1370   1HH1  ARG  72          HH11      ARG  72 -12.898  -8.481   4.183
 1371   2HH1  ARG  72          HH12      ARG  72 -11.812  -7.956   5.424
 1372   1HH2  ARG  72          HH21      ARG  72 -12.117 -10.864   7.335
 1373   2HH2  ARG  72          HH22      ARG  72 -11.366  -9.308   7.211
 1374    H    PHE  73           HN       PHE  73 -11.359 -12.657   0.328
 1375    HA   PHE  73           HA       PHE  73 -10.283 -15.301   0.766
 1376   1HB   PHE  73          HB2       PHE  73 -11.152 -16.062  -1.339
 1377   2HB   PHE  73          HB1       PHE  73 -12.427 -15.400  -0.374
 1378    HD1  PHE  73           HD1      PHE  73 -11.647 -15.926  -3.487
 1379    HD2  PHE  73           HD2      PHE  73 -12.568 -12.545  -1.052
 1380    HE1  PHE  73           HE1      PHE  73 -12.370 -14.690  -5.472
 1381    HE2  PHE  73           HE2      PHE  73 -13.246 -11.304  -3.059
 1382    HZ   PHE  73           HZ       PHE  73 -13.175 -12.381  -5.259
 1383    H    SER  74           HN       SER  74  -9.900 -14.295  -2.439
 1384    HA   SER  74           HA       SER  74  -7.142 -13.677  -1.839
 1385   1HB   SER  74          HB2       SER  74  -6.621 -14.635  -4.149
 1386   2HB   SER  74          HB1       SER  74  -7.007 -15.780  -2.868
 1387    HG   SER  74           HG       SER  74  -8.112 -16.150  -4.900
 1388    H    GLU  75           HN       GLU  75  -9.681 -12.110  -2.589
 1389    HA   GLU  75           HA       GLU  75  -8.971 -10.714  -4.976
 1390   1HB   GLU  75          HB2       GLU  75 -11.066 -10.750  -2.975
 1391   2HB   GLU  75          HB1       GLU  75 -10.621  -9.102  -3.381
 1392   1HG   GLU  75          HG2       GLU  75 -12.529 -10.394  -4.618
 1393   2HG   GLU  75          HG1       GLU  75 -11.495  -9.233  -5.448
 1394    H    TYR  76           HN       TYR  76  -7.532 -10.804  -1.962
 1395    HA   TYR  76           HA       TYR  76  -7.181  -8.381  -1.011
 1396   1HB   TYR  76          HB2       TYR  76  -5.423 -10.706  -1.088
 1397   2HB   TYR  76          HB1       TYR  76  -4.644  -9.184  -0.666
 1398    HD1  TYR  76           HD1      TYR  76  -7.250  -8.095   0.764
 1399    HD2  TYR  76           HD2      TYR  76  -5.036 -11.717   1.017
 1400    HE1  TYR  76           HE1      TYR  76  -8.109  -8.432   2.989
 1401    HE2  TYR  76           HE2      TYR  76  -5.893 -12.078   3.280
 1402    HH   TYR  76           HH       TYR  76  -8.467 -10.273   4.589
 1403    H    TRP  77           HN       TRP  77  -5.931  -9.350  -4.062
 1404    HA   TRP  77           HA       TRP  77  -3.994  -7.337  -4.422
 1405   1HB   TRP  77          HB2       TRP  77  -4.429  -7.594  -6.857
 1406   2HB   TRP  77          HB1       TRP  77  -4.189  -9.138  -6.057
 1407    HD1  TRP  77           HD1      TRP  77  -7.197  -6.891  -6.985
 1408    HE1  TRP  77           HE1      TRP  77  -9.095  -8.412  -7.784
 1409    HE3  TRP  77           HE3      TRP  77  -4.983 -11.411  -6.256
 1410    HZ2  TRP  77           HZ2      TRP  77  -9.598 -11.198  -8.054
 1411    HZ3  TRP  77           HZ3      TRP  77  -6.218 -13.451  -6.767
 1412    HH2  TRP  77           HH2      TRP  77  -8.476 -13.353  -7.640
 1413    H    ARG  78           HN       ARG  78  -7.391  -7.126  -4.121
 1414    HA   ARG  78           HA       ARG  78  -7.785  -4.817  -5.651
 1415   1HB   ARG  78          HB2       ARG  78  -9.439  -6.013  -3.422
 1416   2HB   ARG  78          HB1       ARG  78  -9.966  -4.670  -4.438
 1417   1HG   ARG  78          HG2       ARG  78  -9.125  -7.216  -5.713
 1418   2HG   ARG  78          HG1       ARG  78 -10.698  -7.100  -4.927
 1419   1HD   ARG  78          HD2       ARG  78 -11.096  -6.545  -7.175
 1420   2HD   ARG  78          HD1       ARG  78 -11.079  -5.010  -6.310
 1421    HE   ARG  78           HE       ARG  78  -8.503  -5.513  -7.273
 1422   1HH1  ARG  78          HH11      ARG  78 -11.688  -4.812  -8.478
 1423   2HH1  ARG  78          HH12      ARG  78 -11.115  -4.012  -9.902
 1424   1HH2  ARG  78          HH21      ARG  78  -7.732  -4.464  -9.145
 1425   2HH2  ARG  78          HH22      ARG  78  -8.865  -3.816 -10.283
 1426    H    LEU  79           HN       LEU  79  -6.780  -5.492  -2.395
 1427    HA   LEU  79           HA       LEU  79  -6.936  -2.809  -1.412
 1428   1HB   LEU  79          HB2       LEU  79  -4.845  -4.671  -0.412
 1429   2HB   LEU  79          HB1       LEU  79  -5.857  -3.570   0.488
 1430    HG   LEU  79           HG       LEU  79  -6.854  -6.205  -0.649
 1431   1HD1  LEU  79          HD11      LEU  79  -5.341  -5.511   1.812
 1432   2HD1  LEU  79          HD12      LEU  79  -5.394  -7.017   0.895
 1433   3HD1  LEU  79          HD13      LEU  79  -6.709  -6.608   1.995
 1434   1HD2  LEU  79          HD21      LEU  79  -8.130  -5.120   1.719
 1435   2HD2  LEU  79          HD22      LEU  79  -8.842  -5.634   0.190
 1436   3HD2  LEU  79          HD23      LEU  79  -8.218  -3.993   0.366
 1437    H    ILE  80           HN       ILE  80  -4.718  -4.660  -3.303
 1438    HA   ILE  80           HA       ILE  80  -2.308  -3.546  -3.003
 1439    HB   ILE  80           HB       ILE  80  -3.327  -5.238  -4.797
 1440   1HG1  ILE  80          HG12      ILE  80  -1.128  -5.192  -5.920
 1441   2HG1  ILE  80          HG11      ILE  80  -0.790  -3.637  -5.166
 1442   1HG2  ILE  80          HG21      ILE  80  -2.824  -2.770  -6.454
 1443   2HG2  ILE  80          HG22      ILE  80  -4.392  -3.525  -6.180
 1444   3HG2  ILE  80          HG23      ILE  80  -3.140  -4.393  -7.065
 1445   1HD1  ILE  80          HD11      ILE  80  -1.387  -6.121  -3.586
 1446   2HD1  ILE  80          HD12      ILE  80  -0.700  -4.601  -3.011
 1447   3HD1  ILE  80          HD13      ILE  80   0.240  -5.647  -4.070
 1448    H    GLY  81           HN       GLY  81  -4.859  -2.080  -5.030
 1449   1HA   GLY  81          HA2       GLY  81  -3.249   0.274  -5.493
 1450   2HA   GLY  81          HA1       GLY  81  -4.894   0.008  -6.046
 1451    H    GLU  82           HN       GLU  82  -5.236  -0.741  -2.948
 1452    HA   GLU  82           HA       GLU  82  -6.323   1.837  -2.279
 1453   1HB   GLU  82          HB2       GLU  82  -6.153  -0.653  -0.665
 1454   2HB   GLU  82          HB1       GLU  82  -7.174   0.724  -0.314
 1455   1HG   GLU  82          HG2       GLU  82  -8.207   0.275  -2.624
 1456   2HG   GLU  82          HG1       GLU  82  -7.467  -1.315  -2.472
 1457    H    LEU  83           HN       LEU  83  -3.965  -0.373  -0.789
 1458    HA   LEU  83           HA       LEU  83  -3.166   1.336   1.279
 1459   1HB   LEU  83          HB2       LEU  83  -1.630  -0.799  -0.224
 1460   2HB   LEU  83          HB1       LEU  83  -0.975   0.050   1.160
 1461    HG   LEU  83           HG       LEU  83  -2.912  -0.819   2.503
 1462   1HD1  LEU  83          HD11      LEU  83  -4.494  -1.347   0.805
 1463   2HD1  LEU  83          HD12      LEU  83  -4.012  -2.863   1.566
 1464   3HD1  LEU  83          HD13      LEU  83  -3.353  -2.418  -0.008
 1465   1HD2  LEU  83          HD21      LEU  83  -0.965  -2.742   1.253
 1466   2HD2  LEU  83          HD22      LEU  83  -1.967  -3.129   2.651
 1467   3HD2  LEU  83          HD23      LEU  83  -0.771  -1.838   2.754
 1468    H    ALA  84           HN       ALA  84  -2.587   1.411  -2.114
 1469    HA   ALA  84           HA       ALA  84  -0.401   3.267  -1.850
 1470   1HB   ALA  84          HB1       ALA  84  -0.915   3.604  -4.367
 1471   2HB   ALA  84          HB2       ALA  84  -1.988   2.219  -4.165
 1472   3HB   ALA  84          HB3       ALA  84  -0.263   2.055  -3.834
 1473    H    LYS  85           HN       LYS  85  -3.847   3.328  -2.348
 1474    HA   LYS  85           HA       LYS  85  -4.476   5.848  -3.120
 1475   1HB   LYS  85          HB2       LYS  85  -5.863   3.780  -2.062
 1476   2HB   LYS  85          HB1       LYS  85  -5.979   4.962  -0.765
 1477   1HG   LYS  85          HG2       LYS  85  -7.864   5.244  -2.142
 1478   2HG   LYS  85          HG1       LYS  85  -6.797   6.608  -2.456
 1479   1HD   LYS  85          HD2       LYS  85  -7.631   5.813  -4.560
 1480   2HD   LYS  85          HD1       LYS  85  -5.926   5.376  -4.444
 1481   1HE   LYS  85          HE2       LYS  85  -6.574   3.112  -3.738
 1482   2HE   LYS  85          HE1       LYS  85  -8.271   3.556  -3.908
 1483   1HZ   LYS  85          HZ1       LYS  85  -7.916   3.931  -6.258
 1484   2HZ   LYS  85          HZ2       LYS  85  -7.442   2.359  -5.847
 1485   3HZ   LYS  85          HZ3       LYS  85  -6.273   3.554  -6.107
 1486    H    GLU  86           HN       GLU  86  -3.130   4.892  -0.118
 1487    HA   GLU  86           HA       GLU  86  -3.515   7.473   1.092
 1488   1HB   GLU  86          HB2       GLU  86  -1.996   6.420   2.886
 1489   2HB   GLU  86          HB1       GLU  86  -3.605   5.737   2.660
 1490   1HG   GLU  86          HG2       GLU  86  -2.784   3.880   1.542
 1491   2HG   GLU  86          HG1       GLU  86  -1.194   4.601   1.327
 1492    H    VAL  87           HN       VAL  87  -0.804   5.627  -0.249
 1493    HA   VAL  87           HA       VAL  87   1.092   7.715   0.315
 1494    HB   VAL  87           HB       VAL  87   1.530   5.265  -1.374
 1495   1HG1  VAL  87          HG11      VAL  87   3.693   5.800  -1.430
 1496   2HG1  VAL  87          HG12      VAL  87   3.709   6.321   0.254
 1497   3HG1  VAL  87          HG13      VAL  87   3.161   7.426  -1.004
 1498   1HG2  VAL  87          HG21      VAL  87   0.662   4.623   0.808
 1499   2HG2  VAL  87          HG22      VAL  87   1.887   5.614   1.599
 1500   3HG2  VAL  87          HG23      VAL  87   2.366   4.200   0.661
 1501    H    ARG  88           HN       ARG  88  -0.982   6.983  -2.315
 1502    HA   ARG  88           HA       ARG  88   0.488   7.914  -4.486
 1503   1HB   ARG  88          HB2       ARG  88  -1.678   6.763  -4.674
 1504   2HB   ARG  88          HB1       ARG  88  -2.484   8.179  -4.012
 1505   1HG   ARG  88          HG2       ARG  88  -1.823   9.495  -5.931
 1506   2HG   ARG  88          HG1       ARG  88  -0.922   8.125  -6.585
 1507   1HD   ARG  88          HD2       ARG  88  -2.986   6.844  -6.776
 1508   2HD   ARG  88          HD1       ARG  88  -3.896   8.186  -6.082
 1509    HE   ARG  88           HE       ARG  88  -2.527   9.140  -8.318
 1510   1HH1  ARG  88          HH11      ARG  88  -5.081   6.898  -7.553
 1511   2HH1  ARG  88          HH12      ARG  88  -5.891   7.101  -9.070
 1512   1HH2  ARG  88          HH21      ARG  88  -3.586   9.416 -10.320
 1513   2HH2  ARG  88          HH22      ARG  88  -5.041   8.532 -10.644
 1514    H    LYS  89           HN       LYS  89  -2.104   9.817  -3.041
 1515    HA   LYS  89           HA       LYS  89  -1.328  12.277  -4.104
 1516   1HB   LYS  89          HB2       LYS  89  -2.768  13.266  -2.308
 1517   2HB   LYS  89          HB1       LYS  89  -3.564  12.037  -3.270
 1518   1HG   LYS  89          HG2       LYS  89  -2.341  10.799  -0.956
 1519   2HG   LYS  89          HG1       LYS  89  -3.333  12.188  -0.481
 1520   1HD   LYS  89          HD2       LYS  89  -4.611  10.033  -0.581
 1521   2HD   LYS  89          HD1       LYS  89  -5.275  11.339  -1.548
 1522   1HE   LYS  89          HE2       LYS  89  -4.240  10.340  -3.559
 1523   2HE   LYS  89          HE1       LYS  89  -3.647   9.019  -2.567
 1524   1HZ   LYS  89          HZ1       LYS  89  -6.500   9.707  -2.940
 1525   2HZ   LYS  89          HZ2       LYS  89  -5.896   8.393  -2.065
 1526   3HZ   LYS  89          HZ3       LYS  89  -5.688   8.459  -3.743
 1527    H    GLU  90           HN       GLU  90  -0.485  10.571  -1.231
 1528    HA   GLU  90           HA       GLU  90   0.811  12.659   0.127
 1529   1HB   GLU  90          HB2       GLU  90   0.853   9.669   0.263
 1530   2HB   GLU  90          HB1       GLU  90   1.866  10.648   1.331
 1531   1HG   GLU  90          HG2       GLU  90  -1.134  10.825   1.071
 1532   2HG   GLU  90          HG1       GLU  90  -0.252   9.986   2.368
 1533    H    LYS  91           HN       LYS  91   1.617  10.970  -2.692
 1534    HA   LYS  91           HA       LYS  91   4.374  10.765  -2.494
 1535   1HB   LYS  91          HB2       LYS  91   4.421  10.466  -4.786
 1536   2HB   LYS  91          HB1       LYS  91   2.858   9.839  -4.300
 1537   1HG   LYS  91          HG2       LYS  91   1.837  11.991  -5.012
 1538   2HG   LYS  91          HG1       LYS  91   3.417  12.489  -5.618
 1539   1HD   LYS  91          HD2       LYS  91   3.442  10.608  -7.159
 1540   2HD   LYS  91          HD1       LYS  91   1.896  10.042  -6.519
 1541   1HE   LYS  91          HE2       LYS  91   0.832  12.116  -7.276
 1542   2HE   LYS  91          HE1       LYS  91   2.376  12.670  -7.922
 1543   1HZ   LYS  91          HZ1       LYS  91   0.896  10.256  -8.817
 1544   2HZ   LYS  91          HZ2       LYS  91   2.374  10.791  -9.440
 1545   3HZ   LYS  91          HZ3       LYS  91   0.981  11.727  -9.650
 1546    H    ALA  92           HN       ALA  92   2.383  13.381  -3.798
 1547    HA   ALA  92           HA       ALA  92   4.671  15.128  -4.069
 1548   1HB   ALA  92          HB1       ALA  92   2.986  16.788  -4.834
 1549   2HB   ALA  92          HB2       ALA  92   1.726  15.591  -4.528
 1550   3HB   ALA  92          HB3       ALA  92   2.962  15.282  -5.749
 1551    H    LEU  93           HN       LEU  93   2.385  14.388  -1.619
 1552    HA   LEU  93           HA       LEU  93   2.622  16.941  -0.296
 1553   1HB   LEU  93          HB2       LEU  93   0.660  15.200  -0.194
 1554   2HB   LEU  93          HB1       LEU  93   1.628  14.484   1.082
 1555    HG   LEU  93           HG       LEU  93   1.060  17.401   1.237
 1556   1HD1  LEU  93          HD11      LEU  93  -0.938  15.283   2.024
 1557   2HD1  LEU  93          HD12      LEU  93  -1.107  16.383   0.657
 1558   3HD1  LEU  93          HD13      LEU  93  -1.080  17.019   2.302
 1559   1HD2  LEU  93          HD21      LEU  93   2.507  16.420   2.891
 1560   2HD2  LEU  93          HD22      LEU  93   1.315  15.171   3.250
 1561   3HD2  LEU  93          HD23      LEU  93   0.974  16.854   3.648
 1562    H    GLY  94           HN       GLY  94   4.200  13.848  -0.242
 1563   1HA   GLY  94          HA2       GLY  94   5.417  13.775   2.222
 1564   2HA   GLY  94          HA1       GLY  94   6.180  13.206   0.743
 1565    H    ILE  95           HN       ILE  95   6.489  15.571  -0.637
 1566    HA   ILE  95           HA       ILE  95   8.868  16.587   0.457
 1567    HB   ILE  95           HB       ILE  95   8.387  16.730  -1.935
 1568   1HG1  ILE  95          HG12      ILE  95   8.580  19.541  -0.860
 1569   2HG1  ILE  95          HG11      ILE  95   9.915  18.398  -0.761
 1570   1HG2  ILE  95          HG21      ILE  95   6.642  17.867  -2.864
 1571   2HG2  ILE  95          HG22      ILE  95   6.519  18.994  -1.513
 1572   3HG2  ILE  95          HG23      ILE  95   5.919  17.351  -1.342
 1573   1HD1  ILE  95          HD11      ILE  95   9.932  20.031  -2.694
 1574   2HD1  ILE  95          HD12      ILE  95   8.602  19.089  -3.366
 1575   3HD1  ILE  95          HD13      ILE  95  10.167  18.330  -3.089
 1576    H    ARG  96           HN       ARG  96   8.323  17.153   2.627
 1577    HA   ARG  96           HA       ARG  96   6.343  19.150   3.163
 1578   1HB   ARG  96          HB2       ARG  96   7.420  19.275   5.438
 1579   2HB   ARG  96          HB1       ARG  96   6.816  17.690   4.975
 1580   1HG   ARG  96          HG2       ARG  96   9.616  18.151   4.277
 1581   2HG   ARG  96          HG1       ARG  96   9.276  18.189   6.010
 1582   1HD   ARG  96          HD2       ARG  96   8.361  16.003   4.164
 1583   2HD   ARG  96          HD1       ARG  96   9.858  15.929   5.097
 1584    HE   ARG  96           HE       ARG  96   7.674  16.494   6.796
 1585   1HH1  ARG  96          HH11      ARG  96   9.088  13.904   4.948
 1586   2HH1  ARG  96          HH12      ARG  96   8.460  12.657   5.972
 1587   1HH2  ARG  96          HH21      ARG  96   6.839  14.861   8.150
 1588   2HH2  ARG  96          HH22      ARG  96   7.180  13.200   7.793
 1589    H    LYS  97           HN       LYS  97   9.741  19.050   2.557
 1590    HA   LYS  97           HA       LYS  97  10.264  21.800   3.122
 1591   1HB   LYS  97          HB2       LYS  97  12.374  21.278   1.722
 1592   2HB   LYS  97          HB1       LYS  97  12.163  20.416   3.241
 1593   1HG   LYS  97          HG2       LYS  97  12.163  18.452   2.212
 1594   2HG   LYS  97          HG1       LYS  97  10.928  18.978   1.070
 1595   1HD   LYS  97          HD2       LYS  97  12.762  20.139  -0.202
 1596   2HD   LYS  97          HD1       LYS  97  13.909  19.293   0.842
 1597   1HE   LYS  97          HE2       LYS  97  13.723  17.452  -0.386
 1598   2HE   LYS  97          HE1       LYS  97  11.972  17.429  -0.127
 1599   1HZ   LYS  97          HZ1       LYS  97  11.782  19.007  -2.003
 1600   2HZ   LYS  97          HZ2       LYS  97  12.430  17.515  -2.464
 1601   3HZ   LYS  97          HZ3       LYS  97  13.444  18.856  -2.284
 1602    H    LYS  98           HN       LYS  98   8.537  22.791   1.947
 1603    HA   LYS  98           HA       LYS  98   8.910  22.810  -0.971
 1604   1HB   LYS  98          HB2       LYS  98   6.513  23.054   0.778
 1605   2HB   LYS  98          HB1       LYS  98   6.517  23.956  -0.731
 1606   1HG   LYS  98          HG2       LYS  98   7.154  21.025  -0.693
 1607   2HG   LYS  98          HG1       LYS  98   5.485  21.604  -0.698
 1608   1HD   LYS  98          HD2       LYS  98   5.904  22.844  -2.754
 1609   2HD   LYS  98          HD1       LYS  98   7.590  22.324  -2.738
 1610   1HE   LYS  98          HE2       LYS  98   6.948  20.036  -3.057
 1611   2HE   LYS  98          HE1       LYS  98   5.242  20.437  -2.862
 1612   1HZ   LYS  98          HZ1       LYS  98   5.357  21.744  -4.888
 1613   2HZ   LYS  98          HZ2       LYS  98   5.834  20.150  -5.187
 1614   3HZ   LYS  98          HZ3       LYS  98   6.997  21.371  -5.069
  Start of MODEL    4
    1   1H    MET   1          HT1       MET   1 -19.867   4.288  -1.846
    2   2H    MET   1          HT2       MET   1 -18.355   3.804  -1.267
    3   3H    MET   1          HT3       MET   1 -18.793   3.468  -2.864
    4    HA   MET   1           HA       MET   1 -19.005   5.960  -3.156
    5   1HB   MET   1          HB2       MET   1 -17.800   5.737  -0.443
    6   2HB   MET   1          HB1       MET   1 -17.052   6.883  -1.533
    7   1HG   MET   1          HG2       MET   1 -18.877   7.804  -0.022
    8   2HG   MET   1          HG1       MET   1 -18.943   8.212  -1.731
    9   1HE   MET   1          HE1       MET   1 -21.613   8.414   0.359
   10   2HE   MET   1          HE2       MET   1 -22.715   8.095  -0.979
   11   3HE   MET   1          HE3       MET   1 -21.286   9.095  -1.235
   12    H    ALA   2           HN       ALA   2 -16.689   7.211  -3.370
   13    HA   ALA   2           HA       ALA   2 -14.937   5.280  -4.703
   14   1HB   ALA   2          HB1       ALA   2 -14.165   7.277  -6.040
   15   2HB   ALA   2          HB2       ALA   2 -15.515   8.160  -5.327
   16   3HB   ALA   2          HB3       ALA   2 -15.818   6.744  -6.329
   17    H    ALA   3           HN       ALA   3 -12.643   5.849  -4.816
   18    HA   ALA   3           HA       ALA   3 -11.660   6.542  -2.205
   19   1HB   ALA   3          HB1       ALA   3 -10.051   5.964  -4.681
   20   2HB   ALA   3          HB2       ALA   3 -10.722   4.712  -3.638
   21   3HB   ALA   3          HB3       ALA   3  -9.529   5.843  -3.002
   22    H    GLU   4           HN       GLU   4 -12.254   8.754  -2.028
   23    HA   GLU   4           HA       GLU   4 -11.356  10.697  -3.900
   24   1HB   GLU   4          HB2       GLU   4 -12.587  10.779  -1.197
   25   2HB   GLU   4          HB1       GLU   4 -11.780  12.216  -1.795
   26   1HG   GLU   4          HG2       GLU   4 -14.341  11.845  -2.168
   27   2HG   GLU   4          HG1       GLU   4 -13.342  12.606  -3.399
   28    H    THR   5           HN       THR   5 -10.374  11.526  -0.659
   29    HA   THR   5           HA       THR   5  -7.676  11.684  -1.633
   30    HB   THR   5           HB       THR   5  -8.523  12.329   1.174
   31    HG1  THR   5           HG1      THR   5  -9.898  13.592   0.039
   32   1HG2  THR   5          HG21      THR   5  -6.090  12.220   0.169
   33   2HG2  THR   5          HG22      THR   5  -6.555  13.512   1.275
   34   3HG2  THR   5          HG23      THR   5  -6.516  13.813  -0.464
   35    H    LEU   6           HN       LEU   6  -7.007  11.165   1.520
   36    HA   LEU   6           HA       LEU   6  -5.770   8.646   0.992
   37   1HB   LEU   6          HB2       LEU   6  -5.827  10.651   3.193
   38   2HB   LEU   6          HB1       LEU   6  -5.276   9.048   3.566
   39    HG   LEU   6           HG       LEU   6  -3.733   9.631   1.398
   40   1HD1  LEU   6          HD11      LEU   6  -3.945  12.188   2.968
   41   2HD1  LEU   6          HD12      LEU   6  -4.735  11.935   1.423
   42   3HD1  LEU   6          HD13      LEU   6  -2.980  11.885   1.527
   43   1HD2  LEU   6          HD21      LEU   6  -2.140  10.516   3.361
   44   2HD2  LEU   6          HD22      LEU   6  -2.517   8.812   3.123
   45   3HD2  LEU   6          HD23      LEU   6  -3.397   9.749   4.329
   46    H    THR   7           HN       THR   7  -7.159   6.913   0.974
   47    HA   THR   7           HA       THR   7  -9.404   6.679   2.654
   48    HB   THR   7           HB       THR   7  -8.574   4.058   2.211
   49    HG1  THR   7           HG1      THR   7  -7.330   4.076   0.506
   50   1HG2  THR   7          HG21      THR   7 -10.496   3.878   1.016
   51   2HG2  THR   7          HG22      THR   7 -10.202   5.359   0.105
   52   3HG2  THR   7          HG23      THR   7 -10.806   5.448   1.761
   53    H    GLU   8           HN       GLU   8  -9.642   5.027   4.354
   54    HA   GLU   8           HA       GLU   8  -8.227   5.514   6.596
   55   1HB   GLU   8          HB2       GLU   8  -9.104   2.705   5.992
   56   2HB   GLU   8          HB1       GLU   8  -8.998   3.507   7.550
   57   1HG   GLU   8          HG2       GLU   8 -10.983   4.053   5.366
   58   2HG   GLU   8          HG1       GLU   8 -11.293   3.310   6.935
   59    H    LEU   9           HN       LEU   9  -7.193   3.492   3.969
   60    HA   LEU   9           HA       LEU   9  -5.185   1.976   5.093
   61   1HB   LEU   9          HB2       LEU   9  -4.982   3.348   2.437
   62   2HB   LEU   9          HB1       LEU   9  -4.332   1.782   2.879
   63    HG   LEU   9           HG       LEU   9  -7.083   2.562   2.064
   64   1HD1  LEU   9          HD11      LEU   9  -6.842   0.160   1.115
   65   2HD1  LEU   9          HD12      LEU   9  -5.125   0.417   1.430
   66   3HD1  LEU   9          HD13      LEU   9  -6.004   1.510   0.363
   67   1HD2  LEU   9          HD21      LEU   9  -6.532   0.802   4.326
   68   2HD2  LEU   9          HD22      LEU   9  -7.516   0.063   3.067
   69   3HD2  LEU   9          HD23      LEU   9  -8.028   1.573   3.813
   70    H    GLU  10           HN       GLU  10  -5.281   5.386   4.491
   71    HA   GLU  10           HA       GLU  10  -2.586   6.027   4.373
   72   1HB   GLU  10          HB2       GLU  10  -3.355   8.191   5.521
   73   2HB   GLU  10          HB1       GLU  10  -4.056   7.764   3.966
   74   1HG   GLU  10          HG2       GLU  10  -6.072   7.863   4.819
   75   2HG   GLU  10          HG1       GLU  10  -5.654   6.595   5.967
   76    H    ALA  11           HN       ALA  11  -4.673   5.375   7.152
   77    HA   ALA  11           HA       ALA  11  -2.917   6.032   9.213
   78   1HB   ALA  11          HB1       ALA  11  -4.874   3.730   9.172
   79   2HB   ALA  11          HB2       ALA  11  -5.282   5.400   9.557
   80   3HB   ALA  11          HB3       ALA  11  -4.189   4.497  10.604
   81    H    ALA  12           HN       ALA  12  -3.063   3.294   7.076
   82    HA   ALA  12           HA       ALA  12  -1.173   1.681   8.464
   83   1HB   ALA  12          HB1       ALA  12  -2.846   0.837   6.790
   84   2HB   ALA  12          HB2       ALA  12  -1.197   0.270   6.537
   85   3HB   ALA  12          HB3       ALA  12  -1.848   1.560   5.527
   86    H    ILE  13           HN       ILE  13  -1.006   4.301   6.188
   87    HA   ILE  13           HA       ILE  13   1.494   4.012   5.104
   88    HB   ILE  13           HB       ILE  13  -0.311   5.927   4.863
   89   1HG1  ILE  13          HG12      ILE  13   1.698   5.458   3.435
   90   2HG1  ILE  13          HG11      ILE  13   1.241   7.156   3.523
   91   1HG2  ILE  13          HG21      ILE  13   0.316   6.782   7.211
   92   2HG2  ILE  13          HG22      ILE  13   0.103   7.954   5.912
   93   3HG2  ILE  13          HG23      ILE  13   1.725   7.477   6.411
   94   1HD1  ILE  13          HD11      ILE  13   3.001   7.388   5.324
   95   2HD1  ILE  13          HD12      ILE  13   3.579   7.096   3.684
   96   3HD1  ILE  13          HD13      ILE  13   3.548   5.779   4.855
   97    H    GLU  14           HN       GLU  14   0.561   4.804   8.337
   98    HA   GLU  14           HA       GLU  14   3.023   5.836   9.277
   99   1HB   GLU  14          HB2       GLU  14   0.722   4.543  10.747
  100   2HB   GLU  14          HB1       GLU  14   2.069   5.357  11.531
  101   1HG   GLU  14          HG2       GLU  14   0.113   6.633   9.632
  102   2HG   GLU  14          HG1       GLU  14   0.091   6.778  11.389
  103    H    THR  15           HN       THR  15   1.662   2.565   9.101
  104    HA   THR  15           HA       THR  15   3.756   1.380  10.664
  105    HB   THR  15           HB       THR  15   1.909   0.080   8.654
  106    HG1  THR  15           HG1      THR  15   0.884  -0.595  10.732
  107   1HG2  THR  15          HG21      THR  15   3.790  -1.350   9.047
  108   2HG2  THR  15          HG22      THR  15   2.427  -1.988   9.965
  109   3HG2  THR  15          HG23      THR  15   3.697  -1.083  10.787
  110    H    VAL  16           HN       VAL  16   3.027   1.440   7.209
  111    HA   VAL  16           HA       VAL  16   5.326   0.135   6.293
  112    HB   VAL  16           HB       VAL  16   3.319   0.422   4.939
  113   1HG1  VAL  16          HG11      VAL  16   2.771   2.690   5.734
  114   2HG1  VAL  16          HG12      VAL  16   2.731   2.555   3.976
  115   3HG1  VAL  16          HG13      VAL  16   4.102   3.331   4.770
  116   1HG2  VAL  16          HG21      VAL  16   4.955  -0.033   3.439
  117   2HG2  VAL  16          HG22      VAL  16   5.989   1.280   3.985
  118   3HG2  VAL  16          HG23      VAL  16   4.631   1.612   2.911
  119    H    VAL  17           HN       VAL  17   4.711   3.527   7.017
  120    HA   VAL  17           HA       VAL  17   7.116   4.452   5.788
  121    HB   VAL  17           HB       VAL  17   5.108   5.881   6.117
  122   1HG1  VAL  17          HG11      VAL  17   4.659   5.157   8.455
  123   2HG1  VAL  17          HG12      VAL  17   4.663   6.904   8.236
  124   3HG1  VAL  17          HG13      VAL  17   6.052   6.103   8.969
  125   1HG2  VAL  17          HG21      VAL  17   6.385   7.910   6.681
  126   2HG2  VAL  17          HG22      VAL  17   7.242   6.865   5.548
  127   3HG2  VAL  17          HG23      VAL  17   7.712   6.895   7.248
  128    H    SER  18           HN       SER  18   6.178   3.455   9.011
  129    HA   SER  18           HA       SER  18   8.590   4.412  10.255
  130   1HB   SER  18          HB2       SER  18   6.526   4.420  11.524
  131   2HB   SER  18          HB1       SER  18   6.359   2.676  11.318
  132    HG   SER  18           HG       SER  18   8.330   4.074  12.795
  133    H    THR  19           HN       THR  19   7.669   1.443   8.728
  134    HA   THR  19           HA       THR  19   9.636  -0.093  10.181
  135    HB   THR  19           HB       THR  19   8.991  -1.976   8.737
  136    HG1  THR  19           HG1      THR  19   7.301  -0.025   7.520
  137   1HG2  THR  19          HG21      THR  19   6.530  -1.999   9.419
  138   2HG2  THR  19          HG22      THR  19   6.827  -0.403  10.107
  139   3HG2  THR  19          HG23      THR  19   7.718  -1.800  10.707
  140    H    PHE  20           HN       PHE  20   9.235  -0.140   6.730
  141    HA   PHE  20           HA       PHE  20  12.054  -0.576   6.294
  142   1HB   PHE  20          HB2       PHE  20  10.685  -2.002   5.051
  143   2HB   PHE  20          HB1       PHE  20   9.529  -0.725   4.700
  144    HD1  PHE  20           HD1      PHE  20  13.177  -1.273   4.058
  145    HD2  PHE  20           HD2      PHE  20   9.350  -0.270   2.515
  146    HE1  PHE  20           HE1      PHE  20  14.153  -0.999   1.818
  147    HE2  PHE  20           HE2      PHE  20  10.314   0.021   0.279
  148    HZ   PHE  20           HZ       PHE  20  12.711  -0.337  -0.071
  149    H    PHE  21           HN       PHE  21   9.660   1.832   5.720
  150    HA   PHE  21           HA       PHE  21  11.195   3.459   4.003
  151   1HB   PHE  21          HB2       PHE  21   8.758   3.912   5.688
  152   2HB   PHE  21          HB1       PHE  21   9.374   5.130   4.588
  153    HD1  PHE  21           HD1      PHE  21  10.140   2.159   3.021
  154    HD2  PHE  21           HD2      PHE  21   6.722   4.540   3.944
  155    HE1  PHE  21           HE1      PHE  21   8.883   1.089   1.206
  156    HE2  PHE  21           HE2      PHE  21   5.473   3.437   2.162
  157    HZ   PHE  21           HZ       PHE  21   6.551   1.729   0.772
  158    H    THR  22           HN       THR  22  11.253   2.936   7.368
  159    HA   THR  22           HA       THR  22  12.331   5.525   8.007
  160    HB   THR  22           HB       THR  22  13.112   4.474  10.107
  161    HG1  THR  22           HG1      THR  22  13.351   2.407   9.039
  162   1HG2  THR  22          HG21      THR  22  10.837   4.023  10.968
  163   2HG2  THR  22          HG22      THR  22  10.249   4.014   9.299
  164   3HG2  THR  22          HG23      THR  22  10.923   5.485   9.991
  165    H    PHE  23           HN       PHE  23  13.542   2.648   6.565
  166    HA   PHE  23           HA       PHE  23  16.268   2.984   7.230
  167   1HB   PHE  23          HB2       PHE  23  16.442   1.034   6.116
  168   2HB   PHE  23          HB1       PHE  23  14.746   1.170   5.692
  169    HD1  PHE  23           HD1      PHE  23  17.889   2.801   4.454
  170    HD2  PHE  23           HD2      PHE  23  14.389   0.564   3.550
  171    HE1  PHE  23           HE1      PHE  23  18.513   2.817   2.094
  172    HE2  PHE  23           HE2      PHE  23  15.011   0.584   1.173
  173    HZ   PHE  23           HZ       PHE  23  17.084   1.693   0.456
  174    H    ALA  24           HN       ALA  24  14.110   4.627   5.103
  175    HA   ALA  24           HA       ALA  24  15.615   5.874   3.211
  176   1HB   ALA  24          HB1       ALA  24  13.677   7.319   5.028
  177   2HB   ALA  24          HB2       ALA  24  13.176   6.244   3.731
  178   3HB   ALA  24          HB3       ALA  24  14.074   7.712   3.356
  179    H    GLY  25           HN       GLY  25  15.333   6.642   6.603
  180   1HA   GLY  25          HA2       GLY  25  16.793   8.904   6.953
  181   2HA   GLY  25          HA1       GLY  25  16.838   7.543   8.079
  182    H    ARG  26           HN       ARG  26  18.024   5.780   6.051
  183    HA   ARG  26           HA       ARG  26  20.678   5.902   6.688
  184   1HB   ARG  26          HB2       ARG  26  19.156   4.665   4.438
  185   2HB   ARG  26          HB1       ARG  26  20.916   4.654   4.372
  186   1HG   ARG  26          HG2       ARG  26  19.749   3.790   6.928
  187   2HG   ARG  26          HG1       ARG  26  19.450   2.735   5.548
  188   1HD   ARG  26          HD2       ARG  26  21.504   2.170   6.831
  189   2HD   ARG  26          HD1       ARG  26  21.783   2.508   5.125
  190    HE   ARG  26           HE       ARG  26  22.254   4.895   6.224
  191   1HH1  ARG  26          HH11      ARG  26  23.362   1.707   7.096
  192   2HH1  ARG  26          HH12      ARG  26  24.848   2.275   7.781
  193   1HH2  ARG  26          HH21      ARG  26  24.205   5.646   7.121
  194   2HH2  ARG  26          HH22      ARG  26  25.327   4.512   7.794
  195    H    GLU  27           HN       GLU  27  19.025   7.623   4.123
  196    HA   GLU  27           HA       GLU  27  21.524   8.526   2.958
  197   1HB   GLU  27          HB2       GLU  27  18.672   9.292   2.302
  198   2HB   GLU  27          HB1       GLU  27  20.093   9.742   1.368
  199   1HG   GLU  27          HG2       GLU  27  19.072   6.944   1.811
  200   2HG   GLU  27          HG1       GLU  27  18.910   7.892   0.333
  201    H    GLY  28           HN       GLY  28  22.384  10.542   3.119
  202   1HA   GLY  28          HA2       GLY  28  22.265  11.972   5.423
  203   2HA   GLY  28          HA1       GLY  28  22.720  12.688   3.888
  204    H    ARG  29           HN       ARG  29  21.344  14.065   2.867
  205    HA   ARG  29           HA       ARG  29  19.634  15.631   4.269
  206   1HB   ARG  29          HB2       ARG  29  20.401  16.229   2.043
  207   2HB   ARG  29          HB1       ARG  29  19.457  14.926   1.335
  208   1HG   ARG  29          HG2       ARG  29  17.399  16.025   1.955
  209   2HG   ARG  29          HG1       ARG  29  18.295  17.291   2.792
  210   1HD   ARG  29          HD2       ARG  29  18.449  16.692  -0.159
  211   2HD   ARG  29          HD1       ARG  29  17.511  17.995   0.571
  212    HE   ARG  29           HE       ARG  29  20.001  18.478   1.481
  213   1HH1  ARG  29          HH11      ARG  29  18.730  17.861  -1.701
  214   2HH1  ARG  29          HH12      ARG  29  19.922  18.825  -2.506
  215   1HH2  ARG  29          HH21      ARG  29  21.576  19.750   0.433
  216   2HH2  ARG  29          HH22      ARG  29  21.542  19.899  -1.291
  217    H    LYS  30           HN       LYS  30  17.233  15.923   4.002
  218    HA   LYS  30           HA       LYS  30  15.930  13.340   4.428
  219   1HB   LYS  30          HB2       LYS  30  14.822  16.115   4.907
  220   2HB   LYS  30          HB1       LYS  30  14.141  14.594   5.466
  221   1HG   LYS  30          HG2       LYS  30  16.766  15.780   6.346
  222   2HG   LYS  30          HG1       LYS  30  15.261  15.784   7.267
  223   1HD   LYS  30          HD2       LYS  30  15.288  13.325   7.291
  224   2HD   LYS  30          HD1       LYS  30  16.817  13.344   6.408
  225   1HE   LYS  30          HE2       LYS  30  16.335  14.537   9.138
  226   2HE   LYS  30          HE1       LYS  30  17.162  13.013   8.811
  227   1HZ   LYS  30          HZ1       LYS  30  18.058  15.699   7.913
  228   2HZ   LYS  30          HZ2       LYS  30  18.850  14.241   7.586
  229   3HZ   LYS  30          HZ3       LYS  30  18.735  14.802   9.177
  230    H    GLY  31           HN       GLY  31  16.454  13.455   1.892
  231   1HA   GLY  31          HA2       GLY  31  14.077  14.524   0.486
  232   2HA   GLY  31          HA1       GLY  31  15.595  14.038  -0.276
  233    H    SER  32           HN       SER  32  16.130  11.600   0.080
  234    HA   SER  32           HA       SER  32  13.693  10.109   0.345
  235   1HB   SER  32          HB2       SER  32  13.305   9.950  -1.802
  236   2HB   SER  32          HB1       SER  32  14.857  10.680  -2.208
  237    HG   SER  32           HG       SER  32  15.763   8.711  -2.338
  238    H    LEU  33           HN       LEU  33  14.026   7.775  -0.170
  239    HA   LEU  33           HA       LEU  33  16.176   6.766   1.497
  240   1HB   LEU  33          HB2       LEU  33  13.996   5.915   2.031
  241   2HB   LEU  33          HB1       LEU  33  13.657   5.611   0.371
  242    HG   LEU  33           HG       LEU  33  15.902   4.093   1.499
  243   1HD1  LEU  33          HD11      LEU  33  13.736   2.536   2.134
  244   2HD1  LEU  33          HD12      LEU  33  13.253   4.135   2.672
  245   3HD1  LEU  33          HD13      LEU  33  14.736   3.430   3.276
  246   1HD2  LEU  33          HD21      LEU  33  13.544   3.205  -0.156
  247   2HD2  LEU  33          HD22      LEU  33  15.115   2.438  -0.016
  248   3HD2  LEU  33          HD23      LEU  33  14.959   3.968  -0.865
  249    H    ASN  34           HN       ASN  34  17.480   4.920   0.668
  250    HA   ASN  34           HA       ASN  34  17.421   4.989  -2.276
  251   1HB   ASN  34          HB2       ASN  34  19.318   6.227  -1.162
  252   2HB   ASN  34          HB1       ASN  34  19.914   4.672  -0.595
  253   1HD2  ASN  34          HD21      ASN  34  21.821   4.841  -1.750
  254   2HD2  ASN  34          HD22      ASN  34  21.884   4.667  -3.467
  255    H    ILE  35           HN       ILE  35  19.835   2.898  -1.364
  256    HA   ILE  35           HA       ILE  35  18.070   0.706  -0.902
  257    HB   ILE  35           HB       ILE  35  19.590  -0.558  -2.691
  258   1HG1  ILE  35          HG12      ILE  35  19.902   0.787  -4.683
  259   2HG1  ILE  35          HG11      ILE  35  19.172   2.186  -3.902
  260   1HG2  ILE  35          HG21      ILE  35  17.564   0.302  -4.292
  261   2HG2  ILE  35          HG22      ILE  35  16.937   0.678  -2.689
  262   3HG2  ILE  35          HG23      ILE  35  17.423  -0.970  -3.081
  263   1HD1  ILE  35          HD11      ILE  35  21.358   2.723  -3.688
  264   2HD1  ILE  35          HD12      ILE  35  21.882   1.041  -3.613
  265   3HD1  ILE  35          HD13      ILE  35  21.155   1.801  -2.200
  266    H    ASN  36           HN       ASN  36  19.887   1.973   0.795
  267    HA   ASN  36           HA       ASN  36  22.223   0.292   0.980
  268   1HB   ASN  36          HB2       ASN  36  22.194   2.722   1.705
  269   2HB   ASN  36          HB1       ASN  36  21.178   2.228   3.057
  270   1HD2  ASN  36          HD21      ASN  36  24.350   2.250   1.718
  271   2HD2  ASN  36          HD22      ASN  36  25.170   1.595   3.091
  272    H    GLU  37           HN       GLU  37  19.580   1.001   3.298
  273    HA   GLU  37           HA       GLU  37  19.983  -1.620   4.428
  274   1HB   GLU  37          HB2       GLU  37  17.925   0.470   5.016
  275   2HB   GLU  37          HB1       GLU  37  17.932  -1.087   5.800
  276   1HG   GLU  37          HG2       GLU  37  20.173  -0.622   6.653
  277   2HG   GLU  37          HG1       GLU  37  20.120   0.964   5.890
  278    H    PHE  38           HN       PHE  38  18.114  -0.316   1.815
  279    HA   PHE  38           HA       PHE  38  16.006  -2.096   1.700
  280   1HB   PHE  38          HB2       PHE  38  16.577  -0.205   0.059
  281   2HB   PHE  38          HB1       PHE  38  17.691  -1.327  -0.703
  282    HD1  PHE  38           HD1      PHE  38  14.651   0.122  -0.996
  283    HD2  PHE  38           HD2      PHE  38  16.414  -3.731  -1.160
  284    HE1  PHE  38           HE1      PHE  38  12.779  -0.666  -2.387
  285    HE2  PHE  38           HE2      PHE  38  14.546  -4.539  -2.537
  286    HZ   PHE  38           HZ       PHE  38  12.723  -3.005  -3.157
  287    H    LYS  39           HN       LYS  39  19.418  -2.508   1.282
  288    HA   LYS  39           HA       LYS  39  19.471  -4.914  -0.045
  289   1HB   LYS  39          HB2       LYS  39  21.469  -4.012   1.994
  290   2HB   LYS  39          HB1       LYS  39  21.745  -5.127   0.666
  291   1HG   LYS  39          HG2       LYS  39  20.677  -2.677  -0.296
  292   2HG   LYS  39          HG1       LYS  39  22.132  -2.377   0.657
  293   1HD   LYS  39          HD2       LYS  39  21.896  -4.305  -1.653
  294   2HD   LYS  39          HD1       LYS  39  22.645  -2.710  -1.721
  295   1HE   LYS  39          HE2       LYS  39  24.276  -3.434  -0.019
  296   2HE   LYS  39          HE1       LYS  39  23.552  -5.042  -0.036
  297   1HZ   LYS  39          HZ1       LYS  39  25.528  -4.934  -1.425
  298   2HZ   LYS  39          HZ2       LYS  39  24.833  -3.708  -2.359
  299   3HZ   LYS  39          HZ3       LYS  39  24.155  -5.257  -2.361
  300    H    GLU  40           HN       GLU  40  18.488  -4.241   3.034
  301    HA   GLU  40           HA       GLU  40  18.884  -6.904   4.061
  302   1HB   GLU  40          HB2       GLU  40  17.969  -6.156   6.088
  303   2HB   GLU  40          HB1       GLU  40  18.819  -4.747   5.471
  304   1HG   GLU  40          HG2       GLU  40  16.961  -3.545   5.490
  305   2HG   GLU  40          HG1       GLU  40  16.103  -4.762   4.538
  306    H    LEU  41           HN       LEU  41  16.678  -5.334   2.021
  307    HA   LEU  41           HA       LEU  41  14.299  -6.635   2.705
  308   1HB   LEU  41          HB2       LEU  41  15.147  -5.541   0.027
  309   2HB   LEU  41          HB1       LEU  41  13.518  -6.037   0.440
  310    HG   LEU  41           HG       LEU  41  15.005  -3.589   1.174
  311   1HD1  LEU  41          HD11      LEU  41  12.579  -4.328  -0.151
  312   2HD1  LEU  41          HD12      LEU  41  13.425  -2.780  -0.126
  313   3HD1  LEU  41          HD13      LEU  41  12.260  -3.169   1.139
  314   1HD2  LEU  41          HD21      LEU  41  12.818  -4.661   2.946
  315   2HD2  LEU  41          HD22      LEU  41  13.686  -3.137   3.128
  316   3HD2  LEU  41          HD23      LEU  41  14.531  -4.665   3.365
  317    H    ALA  42           HN       ALA  42  15.468  -7.291  -0.555
  318    HA   ALA  42           HA       ALA  42  14.525  -9.723  -0.940
  319   1HB   ALA  42          HB1       ALA  42  16.452 -10.218  -2.363
  320   2HB   ALA  42          HB2       ALA  42  17.216  -8.765  -1.728
  321   3HB   ALA  42          HB3       ALA  42  15.719  -8.645  -2.634
  322    H    THR  43           HN       THR  43  17.418  -9.022   0.916
  323    HA   THR  43           HA       THR  43  18.428 -11.574   1.262
  324    HB   THR  43           HB       THR  43  19.188 -10.425   3.525
  325    HG1  THR  43           HG1      THR  43  18.696  -8.085   2.021
  326   1HG2  THR  43          HG21      THR  43  20.084  -9.545   0.788
  327   2HG2  THR  43          HG22      THR  43  20.711 -10.910   1.712
  328   3HG2  THR  43          HG23      THR  43  20.987  -9.262   2.276
  329    H    GLN  44           HN       GLN  44  16.606  -9.743   3.725
  330    HA   GLN  44           HA       GLN  44  15.899 -12.060   5.179
  331   1HB   GLN  44          HB2       GLN  44  14.961  -9.183   5.319
  332   2HB   GLN  44          HB1       GLN  44  14.448 -10.431   6.460
  333   1HG   GLN  44          HG2       GLN  44  17.263  -9.464   6.008
  334   2HG   GLN  44          HG1       GLN  44  16.233  -9.087   7.388
  335   1HE2  GLN  44          HE21      GLN  44  18.850 -10.383   7.274
  336   2HE2  GLN  44          HE22      GLN  44  18.655 -11.916   8.045
  337    H    GLN  45           HN       GLN  45  14.444 -10.101   2.759
  338    HA   GLN  45           HA       GLN  45  11.771 -10.934   2.865
  339   1HB   GLN  45          HB2       GLN  45  13.529  -9.997   0.606
  340   2HB   GLN  45          HB1       GLN  45  11.806 -10.278   0.424
  341   1HG   GLN  45          HG2       GLN  45  12.679  -8.482   2.609
  342   2HG   GLN  45          HG1       GLN  45  12.804  -7.901   0.947
  343   1HE2  GLN  45          HE21      GLN  45  11.107  -7.377  -0.167
  344   2HE2  GLN  45          HE22      GLN  45   9.486  -7.377   0.465
  345    H    LEU  46           HN       LEU  46  14.662 -12.293   1.407
  346    HA   LEU  46           HA       LEU  46  13.655 -14.191  -0.266
  347   1HB   LEU  46          HB2       LEU  46  16.041 -14.173   1.521
  348   2HB   LEU  46          HB1       LEU  46  15.571 -15.708   0.832
  349    HG   LEU  46           HG       LEU  46  16.625 -13.262  -0.574
  350   1HD1  LEU  46          HD11      LEU  46  18.206 -14.941   0.172
  351   2HD1  LEU  46          HD12      LEU  46  18.102 -14.923  -1.589
  352   3HD1  LEU  46          HD13      LEU  46  17.299 -16.197  -0.671
  353   1HD2  LEU  46          HD21      LEU  46  15.002 -15.495  -1.788
  354   2HD2  LEU  46          HD22      LEU  46  16.062 -14.435  -2.714
  355   3HD2  LEU  46          HD23      LEU  46  14.674 -13.763  -1.859
  356    HA   PRO  47           HA       PRO  47  12.304 -17.182   2.998
  357   1HB   PRO  47          HB2       PRO  47  13.220 -17.176   5.524
  358   2HB   PRO  47          HB1       PRO  47  14.094 -17.982   4.217
  359   1HG   PRO  47          HG2       PRO  47  14.600 -15.335   5.503
  360   2HG   PRO  47          HG1       PRO  47  15.762 -16.561   4.960
  361   1HD   PRO  47          HD2       PRO  47  15.147 -14.299   3.533
  362   2HD   PRO  47          HD1       PRO  47  15.729 -15.810   2.802
  363    H    HIS  48           HN       HIS  48  10.526 -15.734   2.738
  364    HA   HIS  48           HA       HIS  48   9.775 -14.232   5.119
  365   1HB   HIS  48          HB2       HIS  48   9.434 -13.077   2.950
  366   2HB   HIS  48          HB1       HIS  48   8.345 -14.350   2.420
  367    HD1  HIS  48           HD1      HIS  48   8.588 -11.766   5.173
  368    HD2  HIS  48           HD2      HIS  48   5.761 -13.981   3.090
  369    HE1  HIS  48           HE1      HIS  48   6.360 -10.954   5.999
  370    HE2  HIS  48           HE2      HIS  48   4.665 -12.381   4.800
  371    H    LEU  49           HN       LEU  49   7.260 -14.630   5.685
  372    HA   LEU  49           HA       LEU  49   7.005 -17.357   6.325
  373   1HB   LEU  49          HB2       LEU  49   5.796 -15.587   7.544
  374   2HB   LEU  49          HB1       LEU  49   4.844 -15.238   6.117
  375    HG   LEU  49           HG       LEU  49   4.792 -17.908   7.517
  376   1HD1  LEU  49          HD11      LEU  49   4.053 -16.213   9.082
  377   2HD1  LEU  49          HD12      LEU  49   2.676 -17.158   8.517
  378   3HD1  LEU  49          HD13      LEU  49   2.959 -15.541   7.873
  379   1HD2  LEU  49          HD21      LEU  49   3.226 -16.629   5.311
  380   2HD2  LEU  49          HD22      LEU  49   2.489 -17.868   6.327
  381   3HD2  LEU  49          HD23      LEU  49   3.935 -18.243   5.391
  382    H    LEU  50           HN       LEU  50   4.669 -15.634   4.255
  383    HA   LEU  50           HA       LEU  50   4.406 -17.955   2.540
  384   1HB   LEU  50          HB2       LEU  50   2.596 -16.777   1.488
  385   2HB   LEU  50          HB1       LEU  50   2.427 -16.634   3.227
  386    HG   LEU  50           HG       LEU  50   3.833 -14.421   1.828
  387   1HD1  LEU  50          HD11      LEU  50   1.923 -14.935   0.350
  388   2HD1  LEU  50          HD12      LEU  50   1.768 -13.370   1.148
  389   3HD1  LEU  50          HD13      LEU  50   0.838 -14.752   1.729
  390   1HD2  LEU  50          HD21      LEU  50   2.079 -14.803   4.213
  391   2HD2  LEU  50          HD22      LEU  50   2.209 -13.209   3.475
  392   3HD2  LEU  50          HD23      LEU  50   3.651 -14.013   4.088
  393    H    LYS  51           HN       LYS  51   6.934 -17.218   2.285
  394    HA   LYS  51           HA       LYS  51   7.867 -15.224   0.783
  395   1HB   LYS  51          HB2       LYS  51   9.361 -16.822   1.657
  396   2HB   LYS  51          HB1       LYS  51   8.654 -18.122   0.711
  397   1HG   LYS  51          HG2       LYS  51   9.438 -16.858  -1.335
  398   2HG   LYS  51          HG1       LYS  51  10.410 -15.854  -0.242
  399   1HD   LYS  51          HD2       LYS  51  10.585 -18.839  -0.735
  400   2HD   LYS  51          HD1       LYS  51  11.791 -17.613  -1.120
  401   1HE   LYS  51          HE2       LYS  51  12.635 -17.619   0.964
  402   2HE   LYS  51          HE1       LYS  51  11.032 -17.683   1.696
  403   1HZ   LYS  51          HZ1       LYS  51  12.304 -19.667   2.189
  404   2HZ   LYS  51          HZ2       LYS  51  12.471 -20.000   0.539
  405   3HZ   LYS  51          HZ3       LYS  51  10.942 -20.047   1.261
  406    H    ASP  52           HN       ASP  52   8.343 -14.781  -1.281
  407    HA   ASP  52           HA       ASP  52   6.653 -16.001  -3.357
  408   1HB   ASP  52          HB2       ASP  52   6.053 -13.671  -2.939
  409   2HB   ASP  52          HB1       ASP  52   7.729 -13.175  -3.156
  410    H    VAL  53           HN       VAL  53   9.842 -15.378  -2.310
  411    HA   VAL  53           HA       VAL  53  11.875 -15.867  -3.045
  412    HB   VAL  53           HB       VAL  53  11.088 -18.111  -3.361
  413   1HG1  VAL  53          HG11      VAL  53  10.388 -18.895  -5.636
  414   2HG1  VAL  53          HG12      VAL  53  10.176 -17.202  -6.077
  415   3HG1  VAL  53          HG13      VAL  53   9.206 -17.903  -4.784
  416   1HG2  VAL  53          HG21      VAL  53  13.364 -17.596  -4.024
  417   2HG2  VAL  53          HG22      VAL  53  12.816 -17.218  -5.658
  418   3HG2  VAL  53          HG23      VAL  53  12.688 -18.866  -5.043
  419    H    GLY  54           HN       GLY  54  11.751 -13.622  -3.682
  420   1HA   GLY  54          HA2       GLY  54  11.420 -12.814  -6.352
  421   2HA   GLY  54          HA1       GLY  54  12.309 -11.937  -5.119
  422    H    SER  55           HN       SER  55  13.417 -11.593  -7.371
  423    HA   SER  55           HA       SER  55  15.229 -13.684  -8.166
  424   1HB   SER  55          HB2       SER  55  14.454 -11.012  -9.126
  425   2HB   SER  55          HB1       SER  55  16.132 -11.458  -9.431
  426    HG   SER  55           HG       SER  55  14.128 -12.140 -10.876
  427    H    LEU  56           HN       LEU  56  17.518 -13.560  -8.125
  428    HA   LEU  56           HA       LEU  56  18.566 -12.389  -5.701
  429   1HB   LEU  56          HB2       LEU  56  19.958 -13.913  -7.914
  430   2HB   LEU  56          HB1       LEU  56  20.677 -13.479  -6.375
  431    HG   LEU  56           HG       LEU  56  18.363 -15.374  -6.785
  432   1HD1  LEU  56          HD11      LEU  56  19.935 -17.065  -5.968
  433   2HD1  LEU  56          HD12      LEU  56  21.212 -15.849  -5.920
  434   3HD1  LEU  56          HD13      LEU  56  20.498 -16.317  -7.463
  435   1HD2  LEU  56          HD21      LEU  56  19.773 -14.551  -4.249
  436   2HD2  LEU  56          HD22      LEU  56  18.532 -15.796  -4.387
  437   3HD2  LEU  56          HD23      LEU  56  18.129 -14.110  -4.710
  438    H    ASP  57           HN       ASP  57  19.817 -12.275  -9.056
  439    HA   ASP  57           HA       ASP  57  21.403 -10.027  -8.760
  440   1HB   ASP  57          HB2       ASP  57  20.761  -9.648 -11.274
  441   2HB   ASP  57          HB1       ASP  57  21.762 -11.026 -10.812
  442    H    GLU  58           HN       GLU  58  17.990 -10.299  -9.438
  443    HA   GLU  58           HA       GLU  58  17.316  -7.734 -10.159
  444   1HB   GLU  58          HB2       GLU  58  15.677  -9.541 -10.094
  445   2HB   GLU  58          HB1       GLU  58  15.797  -9.621  -8.340
  446   1HG   GLU  58          HG2       GLU  58  14.872  -7.385  -8.157
  447   2HG   GLU  58          HG1       GLU  58  14.788  -7.266  -9.915
  448    H    LYS  59           HN       LYS  59  18.352  -8.989  -7.109
  449    HA   LYS  59           HA       LYS  59  17.518  -6.858  -5.500
  450   1HB   LYS  59          HB2       LYS  59  19.859  -8.699  -5.056
  451   2HB   LYS  59          HB1       LYS  59  19.021  -7.769  -3.825
  452   1HG   LYS  59          HG2       LYS  59  17.012  -9.073  -4.119
  453   2HG   LYS  59          HG1       LYS  59  17.740  -9.930  -5.475
  454   1HD   LYS  59          HD2       LYS  59  18.470 -10.101  -2.564
  455   2HD   LYS  59          HD1       LYS  59  17.876 -11.382  -3.625
  456   1HE   LYS  59          HE2       LYS  59  19.965 -11.303  -4.889
  457   2HE   LYS  59          HE1       LYS  59  20.556 -10.009  -3.851
  458   1HZ   LYS  59          HZ1       LYS  59  19.865 -12.753  -2.953
  459   2HZ   LYS  59          HZ2       LYS  59  20.471 -11.513  -1.975
  460   3HZ   LYS  59          HZ3       LYS  59  21.433 -12.169  -3.202
  461    H    MET  60           HN       MET  60  20.372  -7.412  -7.447
  462    HA   MET  60           HA       MET  60  21.702  -5.069  -6.491
  463   1HB   MET  60          HB2       MET  60  22.330  -6.851  -8.842
  464   2HB   MET  60          HB1       MET  60  23.369  -5.561  -8.255
  465   1HG   MET  60          HG2       MET  60  23.615  -6.723  -6.124
  466   2HG   MET  60          HG1       MET  60  22.569  -8.016  -6.709
  467   1HE   MET  60          HE1       MET  60  25.472  -8.530  -5.500
  468   2HE   MET  60          HE2       MET  60  26.097  -9.720  -6.641
  469   3HE   MET  60          HE3       MET  60  24.423  -9.817  -6.096
  470    H    LYS  61           HN       LYS  61  19.564  -5.896  -9.032
  471    HA   LYS  61           HA       LYS  61  20.008  -3.514 -10.595
  472   1HB   LYS  61          HB2       LYS  61  19.333  -5.405 -11.849
  473   2HB   LYS  61          HB1       LYS  61  18.064  -5.809 -10.697
  474   1HG   LYS  61          HG2       LYS  61  16.798  -3.850 -11.408
  475   2HG   LYS  61          HG1       LYS  61  18.060  -3.455 -12.577
  476   1HD   LYS  61          HD2       LYS  61  17.643  -5.459 -13.812
  477   2HD   LYS  61          HD1       LYS  61  16.561  -6.071 -12.560
  478   1HE   LYS  61          HE2       LYS  61  16.038  -3.540 -14.104
  479   2HE   LYS  61          HE1       LYS  61  15.443  -5.120 -14.609
  480   1HZ   LYS  61          HZ1       LYS  61  14.129  -5.296 -12.675
  481   2HZ   LYS  61          HZ2       LYS  61  13.858  -3.737 -13.275
  482   3HZ   LYS  61          HZ3       LYS  61  14.873  -3.966 -11.942
  483    H    THR  62           HN       THR  62  17.483  -4.829  -8.523
  484    HA   THR  62           HA       THR  62  15.686  -2.752  -8.597
  485    HB   THR  62           HB       THR  62  16.357  -4.509  -6.230
  486    HG1  THR  62           HG1      THR  62  15.485  -5.307  -8.448
  487   1HG2  THR  62          HG21      THR  62  15.102  -2.785  -5.295
  488   2HG2  THR  62          HG22      THR  62  13.876  -3.985  -5.707
  489   3HG2  THR  62          HG23      THR  62  14.120  -2.581  -6.745
  490    H    LEU  63           HN       LEU  63  18.802  -2.874  -7.124
  491    HA   LEU  63           HA       LEU  63  18.699  -1.020  -5.120
  492   1HB   LEU  63          HB2       LEU  63  20.720  -2.037  -6.927
  493   2HB   LEU  63          HB1       LEU  63  21.016  -0.360  -6.521
  494    HG   LEU  63           HG       LEU  63  20.843  -1.027  -4.097
  495   1HD1  LEU  63          HD11      LEU  63  21.219  -3.817  -5.112
  496   2HD1  LEU  63          HD12      LEU  63  19.648  -3.179  -4.635
  497   3HD1  LEU  63          HD13      LEU  63  20.956  -3.280  -3.454
  498   1HD2  LEU  63          HD21      LEU  63  23.111  -1.889  -4.006
  499   2HD2  LEU  63          HD22      LEU  63  22.980  -0.622  -5.227
  500   3HD2  LEU  63          HD23      LEU  63  23.031  -2.316  -5.715
  501    H    ASP  64           HN       ASP  64  19.208  -0.368  -8.566
  502    HA   ASP  64           HA       ASP  64  18.939   2.476  -8.202
  503   1HB   ASP  64          HB2       ASP  64  20.442   1.728  -9.904
  504   2HB   ASP  64          HB1       ASP  64  19.195   0.744 -10.664
  505    H    VAL  65           HN       VAL  65  16.973  -0.117  -9.641
  506    HA   VAL  65           HA       VAL  65  14.872   1.444 -10.583
  507    HB   VAL  65           HB       VAL  65  14.679  -1.341  -9.416
  508   1HG1  VAL  65          HG11      VAL  65  12.685  -1.540 -10.854
  509   2HG1  VAL  65          HG12      VAL  65  12.834   0.170 -11.264
  510   3HG1  VAL  65          HG13      VAL  65  12.497  -0.311  -9.601
  511   1HG2  VAL  65          HG21      VAL  65  16.310  -1.311 -11.176
  512   2HG2  VAL  65          HG22      VAL  65  15.240  -0.372 -12.217
  513   3HG2  VAL  65          HG23      VAL  65  14.832  -2.037 -11.807
  514    H    ASN  66           HN       ASN  66  14.975  -0.322  -7.469
  515    HA   ASN  66           HA       ASN  66  12.784   1.261  -6.433
  516   1HB   ASN  66          HB2       ASN  66  14.441  -0.970  -5.310
  517   2HB   ASN  66          HB1       ASN  66  13.384  -0.017  -4.272
  518   1HD2  ASN  66          HD21      ASN  66  12.546  -0.735  -7.597
  519   2HD2  ASN  66          HD22      ASN  66  11.268  -1.831  -7.230
  520    H    GLN  67           HN       GLN  67  15.267   2.723  -7.066
  521    HA   GLN  67           HA       GLN  67  16.865   3.281  -4.870
  522   1HB   GLN  67          HB2       GLN  67  17.414   4.121  -7.057
  523   2HB   GLN  67          HB1       GLN  67  15.893   5.004  -7.162
  524   1HG   GLN  67          HG2       GLN  67  17.647   5.587  -4.945
  525   2HG   GLN  67          HG1       GLN  67  18.238   6.112  -6.507
  526   1HE2  GLN  67          HE21      GLN  67  16.104   6.613  -3.903
  527   2HE2  GLN  67          HE22      GLN  67  15.300   8.004  -4.499
  528    H    ASP  68           HN       ASP  68  14.267   5.082  -6.208
  529    HA   ASP  68           HA       ASP  68  13.766   6.631  -3.837
  530   1HB   ASP  68          HB2       ASP  68  12.247   6.483  -6.453
  531   2HB   ASP  68          HB1       ASP  68  11.967   7.671  -5.187
  532    H    SER  69           HN       SER  69  13.169   3.522  -4.075
  533    HA   SER  69           HA       SER  69  10.470   2.991  -4.115
  534   1HB   SER  69          HB2       SER  69  12.806   1.699  -2.885
  535   2HB   SER  69          HB1       SER  69  11.284   1.376  -2.055
  536    HG   SER  69           HG       SER  69  10.893   0.023  -3.601
  537    H    GLU  70           HN       GLU  70  12.418   4.520  -1.736
  538    HA   GLU  70           HA       GLU  70   9.994   5.356  -0.353
  539   1HB   GLU  70          HB2       GLU  70  10.794   3.772   1.189
  540   2HB   GLU  70          HB1       GLU  70  12.451   4.264   0.916
  541   1HG   GLU  70          HG2       GLU  70  11.756   5.099   3.067
  542   2HG   GLU  70          HG1       GLU  70  11.950   6.461   1.957
  543    H    LEU  71           HN       LEU  71  10.121   7.347   0.619
  544    HA   LEU  71           HA       LEU  71  12.500   8.827   0.247
  545   1HB   LEU  71          HB2       LEU  71  11.346  10.636  -0.916
  546   2HB   LEU  71          HB1       LEU  71  11.550   9.141  -1.827
  547    HG   LEU  71           HG       LEU  71   9.357  10.118  -2.100
  548   1HD1  LEU  71          HD11      LEU  71   9.964   7.524  -1.780
  549   2HD1  LEU  71          HD12      LEU  71   8.397   8.053  -2.281
  550   3HD1  LEU  71          HD13      LEU  71   8.685   7.713  -0.598
  551   1HD2  LEU  71          HD21      LEU  71   9.315  11.089   0.204
  552   2HD2  LEU  71          HD22      LEU  71   8.710   9.513   0.701
  553   3HD2  LEU  71          HD23      LEU  71   7.809  10.481  -0.466
  554    H    ARG  72           HN       ARG  72  12.289  11.067   0.879
  555    HA   ARG  72           HA       ARG  72  10.709  11.384   3.320
  556   1HB   ARG  72          HB2       ARG  72  13.069  13.040   2.526
  557   2HB   ARG  72          HB1       ARG  72  12.472  12.702   4.147
  558   1HG   ARG  72          HG2       ARG  72  14.041  10.929   2.308
  559   2HG   ARG  72          HG1       ARG  72  14.506  11.527   3.909
  560   1HD   ARG  72          HD2       ARG  72  12.553   9.389   3.164
  561   2HD   ARG  72          HD1       ARG  72  13.885   9.332   4.322
  562    HE   ARG  72           HE       ARG  72  12.218  11.168   5.400
  563   1HH1  ARG  72          HH11      ARG  72  11.746   7.917   4.244
  564   2HH1  ARG  72          HH12      ARG  72  10.483   7.560   5.375
  565   1HH2  ARG  72          HH21      ARG  72  10.553  10.711   6.890
  566   2HH2  ARG  72          HH22      ARG  72   9.804   9.150   6.876
  567    H    PHE  73           HN       PHE  73  11.410  12.542   0.131
  568    HA   PHE  73           HA       PHE  73   9.948  14.998   0.582
  569   1HB   PHE  73          HB2       PHE  73  10.913  15.690  -1.651
  570   2HB   PHE  73          HB1       PHE  73  12.022  15.554  -0.305
  571    HD1  PHE  73           HD1      PHE  73  11.078  12.350  -1.738
  572    HD2  PHE  73           HD2      PHE  73  13.723  15.666  -2.109
  573    HE1  PHE  73           HE1      PHE  73  12.570  11.009  -3.147
  574    HE2  PHE  73           HE2      PHE  73  15.218  14.318  -3.508
  575    HZ   PHE  73           HZ       PHE  73  14.642  11.988  -4.034
  576    H    SER  74           HN       SER  74   9.988  14.383  -2.757
  577    HA   SER  74           HA       SER  74   7.139  13.816  -2.538
  578   1HB   SER  74          HB2       SER  74   7.160  14.648  -5.000
  579   2HB   SER  74          HB1       SER  74   7.253  15.818  -3.683
  580    HG   SER  74           HG       SER  74   9.133  16.385  -4.414
  581    H    GLU  75           HN       GLU  75   9.683  12.014  -3.017
  582    HA   GLU  75           HA       GLU  75   8.964  10.675  -5.427
  583   1HB   GLU  75          HB2       GLU  75  10.841  10.275  -3.205
  584   2HB   GLU  75          HB1       GLU  75  10.367   8.806  -4.029
  585   1HG   GLU  75          HG2       GLU  75  11.676  11.222  -5.212
  586   2HG   GLU  75          HG1       GLU  75  12.441   9.682  -4.814
  587    H    TYR  76           HN       TYR  76   7.419  10.800  -2.441
  588    HA   TYR  76           HA       TYR  76   6.756   8.360  -1.594
  589   1HB   TYR  76          HB2       TYR  76   5.337  10.888  -1.571
  590   2HB   TYR  76          HB1       TYR  76   4.295   9.483  -1.385
  591    HD1  TYR  76           HD1      TYR  76   6.768   7.978   0.085
  592    HD2  TYR  76           HD2      TYR  76   4.623  11.603   0.691
  593    HE1  TYR  76           HE1      TYR  76   7.448   7.938   2.371
  594    HE2  TYR  76           HE2      TYR  76   5.292  11.567   3.060
  595    HH   TYR  76           HH       TYR  76   6.039   9.992   4.750
  596    H    TRP  77           HN       TRP  77   5.800   9.496  -4.642
  597    HA   TRP  77           HA       TRP  77   3.676   7.709  -5.087
  598   1HB   TRP  77          HB2       TRP  77   4.161   8.031  -7.481
  599   2HB   TRP  77          HB1       TRP  77   4.185   9.571  -6.618
  600    HD1  TRP  77           HD1      TRP  77   6.802   6.875  -7.587
  601    HE1  TRP  77           HE1      TRP  77   8.950   8.088  -8.262
  602    HE3  TRP  77           HE3      TRP  77   5.288  11.674  -6.808
  603    HZ2  TRP  77           HZ2      TRP  77   9.894  10.758  -8.462
  604    HZ3  TRP  77           HZ3      TRP  77   6.859  13.505  -7.251
  605    HH2  TRP  77           HH2      TRP  77   9.119  13.059  -8.069
  606    H    ARG  78           HN       ARG  78   6.980   7.082  -4.459
  607    HA   ARG  78           HA       ARG  78   7.178   4.757  -6.131
  608   1HB   ARG  78          HB2       ARG  78   8.944   6.056  -4.082
  609   2HB   ARG  78          HB1       ARG  78   9.292   4.418  -4.628
  610   1HG   ARG  78          HG2       ARG  78   9.057   6.855  -6.358
  611   2HG   ARG  78          HG1       ARG  78  10.542   6.045  -5.872
  612   1HD   ARG  78          HD2       ARG  78   8.406   5.086  -7.733
  613   2HD   ARG  78          HD1       ARG  78  10.141   5.222  -8.018
  614    HE   ARG  78           HE       ARG  78  10.046   3.383  -6.071
  615   1HH1  ARG  78          HH11      ARG  78   8.303   3.685  -9.072
  616   2HH1  ARG  78          HH12      ARG  78   8.086   1.978  -9.266
  617   1HH2  ARG  78          HH21      ARG  78   9.760   1.133  -6.316
  618   2HH2  ARG  78          HH22      ARG  78   8.912   0.528  -7.699
  619    H    LEU  79           HN       LEU  79   6.650   5.435  -2.660
  620    HA   LEU  79           HA       LEU  79   6.483   2.813  -1.761
  621   1HB   LEU  79          HB2       LEU  79   4.352   4.600  -0.787
  622   2HB   LEU  79          HB1       LEU  79   5.465   3.600   0.109
  623    HG   LEU  79           HG       LEU  79   6.014   6.340  -1.042
  624   1HD1  LEU  79          HD11      LEU  79   5.263   5.215   1.583
  625   2HD1  LEU  79          HD12      LEU  79   5.023   6.832   0.936
  626   3HD1  LEU  79          HD13      LEU  79   6.587   6.372   1.610
  627   1HD2  LEU  79          HD21      LEU  79   8.200   6.037   0.108
  628   2HD2  LEU  79          HD22      LEU  79   7.978   5.057  -1.332
  629   3HD2  LEU  79          HD23      LEU  79   7.825   4.323   0.264
  630    H    ILE  80           HN       ILE  80   4.382   4.670  -3.766
  631    HA   ILE  80           HA       ILE  80   1.972   3.573  -3.491
  632    HB   ILE  80           HB       ILE  80   3.017   5.320  -5.229
  633   1HG1  ILE  80          HG12      ILE  80   0.425   3.846  -5.749
  634   2HG1  ILE  80          HG11      ILE  80   0.634   5.085  -4.516
  635   1HG2  ILE  80          HG21      ILE  80   2.649   4.519  -7.525
  636   2HG2  ILE  80          HG22      ILE  80   2.470   2.881  -6.899
  637   3HG2  ILE  80          HG23      ILE  80   4.002   3.732  -6.719
  638   1HD1  ILE  80          HD11      ILE  80   1.154   6.720  -6.245
  639   2HD1  ILE  80          HD12      ILE  80  -0.423   5.979  -6.514
  640   3HD1  ILE  80          HD13      ILE  80   0.963   5.477  -7.482
  641    H    GLY  81           HN       GLY  81   4.396   2.178  -5.705
  642   1HA   GLY  81          HA2       GLY  81   2.787  -0.206  -6.006
  643   2HA   GLY  81          HA1       GLY  81   4.372   0.082  -6.712
  644    H    GLU  82           HN       GLU  82   4.775   0.907  -3.602
  645    HA   GLU  82           HA       GLU  82   6.155  -1.573  -2.996
  646   1HB   GLU  82          HB2       GLU  82   5.906   1.013  -1.504
  647   2HB   GLU  82          HB1       GLU  82   6.900  -0.337  -0.978
  648   1HG   GLU  82          HG2       GLU  82   7.725   0.072  -3.574
  649   2HG   GLU  82          HG1       GLU  82   7.475   1.704  -2.958
  650    H    LEU  83           HN       LEU  83   3.806   0.473  -1.254
  651    HA   LEU  83           HA       LEU  83   3.231  -1.323   0.801
  652   1HB   LEU  83          HB2       LEU  83   1.487   0.749  -0.551
  653   2HB   LEU  83          HB1       LEU  83   0.962  -0.163   0.851
  654    HG   LEU  83           HG       LEU  83   2.922   0.791   2.112
  655   1HD1  LEU  83          HD11      LEU  83   4.387   1.408   0.334
  656   2HD1  LEU  83          HD12      LEU  83   3.892   2.882   1.165
  657   3HD1  LEU  83          HD13      LEU  83   3.164   2.457  -0.384
  658   1HD2  LEU  83          HD21      LEU  83   0.765   1.721   2.491
  659   2HD2  LEU  83          HD22      LEU  83   0.821   2.625   0.978
  660   3HD2  LEU  83          HD23      LEU  83   1.888   3.068   2.309
  661    H    ALA  84           HN       ALA  84   2.452  -1.480  -2.540
  662    HA   ALA  84           HA       ALA  84   0.386  -3.403  -2.243
  663   1HB   ALA  84          HB1       ALA  84   1.193  -3.772  -4.761
  664   2HB   ALA  84          HB2       ALA  84   1.877  -2.174  -4.464
  665   3HB   ALA  84          HB3       ALA  84   0.144  -2.443  -4.274
  666    H    LYS  85           HN       LYS  85   3.900  -3.530  -2.709
  667    HA   LYS  85           HA       LYS  85   4.386  -6.096  -3.478
  668   1HB   LYS  85          HB2       LYS  85   5.797  -4.196  -1.762
  669   2HB   LYS  85          HB1       LYS  85   6.148  -5.865  -1.363
  670   1HG   LYS  85          HG2       LYS  85   7.599  -5.923  -3.016
  671   2HG   LYS  85          HG1       LYS  85   6.284  -5.675  -4.157
  672   1HD   LYS  85          HD2       LYS  85   8.142  -4.032  -4.389
  673   2HD   LYS  85          HD1       LYS  85   6.570  -3.300  -4.087
  674   1HE   LYS  85          HE2       LYS  85   8.513  -2.306  -2.819
  675   2HE   LYS  85          HE1       LYS  85   7.130  -2.799  -1.838
  676   1HZ   LYS  85          HZ1       LYS  85   9.800  -4.008  -2.038
  677   2HZ   LYS  85          HZ2       LYS  85   8.488  -4.973  -1.584
  678   3HZ   LYS  85          HZ3       LYS  85   8.899  -3.618  -0.664
  679    H    GLU  86           HN       GLU  86   3.786  -5.110  -0.159
  680    HA   GLU  86           HA       GLU  86   3.707  -7.612   0.993
  681   1HB   GLU  86          HB2       GLU  86   2.257  -6.552   2.710
  682   2HB   GLU  86          HB1       GLU  86   3.662  -5.564   2.310
  683   1HG   GLU  86          HG2       GLU  86   2.323  -4.276   0.820
  684   2HG   GLU  86          HG1       GLU  86   0.882  -5.148   1.330
  685    H    VAL  87           HN       VAL  87   1.102  -5.736  -0.495
  686    HA   VAL  87           HA       VAL  87  -0.794  -7.859  -0.148
  687    HB   VAL  87           HB       VAL  87  -1.187  -5.363  -1.794
  688   1HG1  VAL  87          HG11      VAL  87  -3.462  -6.327  -0.310
  689   2HG1  VAL  87          HG12      VAL  87  -2.812  -7.585  -1.360
  690   3HG1  VAL  87          HG13      VAL  87  -3.285  -6.026  -2.037
  691   1HG2  VAL  87          HG21      VAL  87  -1.328  -5.749   1.175
  692   2HG2  VAL  87          HG22      VAL  87  -2.314  -4.533   0.363
  693   3HG2  VAL  87          HG23      VAL  87  -0.557  -4.458   0.251
  694    H    ARG  88           HN       ARG  88   1.669  -7.650  -2.196
  695    HA   ARG  88           HA       ARG  88   0.292  -8.321  -4.632
  696   1HB   ARG  88          HB2       ARG  88   2.469  -7.108  -4.563
  697   2HB   ARG  88          HB1       ARG  88   3.227  -8.593  -3.994
  698   1HG   ARG  88          HG2       ARG  88   2.665  -9.724  -6.045
  699   2HG   ARG  88          HG1       ARG  88   1.767  -8.312  -6.609
  700   1HD   ARG  88          HD2       ARG  88   4.730  -8.432  -6.045
  701   2HD   ARG  88          HD1       ARG  88   3.980  -8.425  -7.640
  702    HE   ARG  88           HE       ARG  88   3.058  -6.162  -6.373
  703   1HH1  ARG  88          HH11      ARG  88   6.160  -7.467  -7.269
  704   2HH1  ARG  88          HH12      ARG  88   6.898  -5.914  -7.476
  705   1HH2  ARG  88          HH21      ARG  88   4.020  -4.113  -6.644
  706   2HH2  ARG  88          HH22      ARG  88   5.681  -4.007  -7.121
  707    H    LYS  89           HN       LYS  89   2.595 -10.143  -2.632
  708    HA   LYS  89           HA       LYS  89   1.827 -12.624  -3.829
  709   1HB   LYS  89          HB2       LYS  89   3.246 -13.709  -2.169
  710   2HB   LYS  89          HB1       LYS  89   4.088 -12.392  -2.952
  711   1HG   LYS  89          HG2       LYS  89   2.780 -12.083  -0.262
  712   2HG   LYS  89          HG1       LYS  89   4.401 -12.703  -0.447
  713   1HD   LYS  89          HD2       LYS  89   3.361  -9.940  -0.890
  714   2HD   LYS  89          HD1       LYS  89   4.814 -10.473  -0.050
  715   1HE   LYS  89          HE2       LYS  89   5.737 -11.133  -2.300
  716   2HE   LYS  89          HE1       LYS  89   4.350 -10.312  -3.012
  717   1HZ   LYS  89          HZ1       LYS  89   5.932  -8.794  -1.099
  718   2HZ   LYS  89          HZ2       LYS  89   5.171  -8.291  -2.524
  719   3HZ   LYS  89          HZ3       LYS  89   6.646  -9.108  -2.601
  720    H    GLU  90           HN       GLU  90   0.977 -10.765  -1.045
  721    HA   GLU  90           HA       GLU  90  -0.478 -12.673   0.381
  722   1HB   GLU  90          HB2       GLU  90  -0.483  -9.681   0.221
  723   2HB   GLU  90          HB1       GLU  90  -1.739 -10.502   1.147
  724   1HG   GLU  90          HG2       GLU  90   1.201 -10.950   1.565
  725   2HG   GLU  90          HG1       GLU  90   0.269  -9.731   2.435
  726    H    LYS  91           HN       LYS  91  -1.105 -11.175  -2.635
  727    HA   LYS  91           HA       LYS  91  -3.847 -10.999  -2.722
  728   1HB   LYS  91          HB2       LYS  91  -3.702 -11.000  -5.058
  729   2HB   LYS  91          HB1       LYS  91  -2.167 -10.342  -4.514
  730   1HG   LYS  91          HG2       LYS  91  -1.104 -12.512  -4.883
  731   2HG   LYS  91          HG1       LYS  91  -2.649 -13.174  -5.423
  732   1HD   LYS  91          HD2       LYS  91  -2.691 -11.439  -7.214
  733   2HD   LYS  91          HD1       LYS  91  -1.064 -10.962  -6.724
  734   1HE   LYS  91          HE2       LYS  91  -0.242 -13.202  -7.226
  735   2HE   LYS  91          HE1       LYS  91  -1.870 -13.707  -7.682
  736   1HZ   LYS  91          HZ1       LYS  91  -0.574 -13.177  -9.630
  737   2HZ   LYS  91          HZ2       LYS  91  -0.241 -11.627  -9.041
  738   3HZ   LYS  91          HZ3       LYS  91  -1.824 -12.048  -9.460
  739    H    ALA  92           HN       ALA  92  -1.839 -13.787  -3.463
  740    HA   ALA  92           HA       ALA  92  -4.136 -15.514  -3.755
  741   1HB   ALA  92          HB1       ALA  92  -2.415 -17.295  -4.078
  742   2HB   ALA  92          HB2       ALA  92  -1.179 -16.055  -3.848
  743   3HB   ALA  92          HB3       ALA  92  -2.304 -15.941  -5.203
  744    H    LEU  93           HN       LEU  93  -2.135 -14.554  -1.131
  745    HA   LEU  93           HA       LEU  93  -2.755 -16.929   0.439
  746   1HB   LEU  93          HB2       LEU  93  -0.654 -15.406   0.674
  747   2HB   LEU  93          HB1       LEU  93  -1.722 -14.392   1.634
  748    HG   LEU  93           HG       LEU  93  -2.236 -16.804   2.748
  749   1HD1  LEU  93          HD11      LEU  93  -0.099 -17.955   3.087
  750   2HD1  LEU  93          HD12      LEU  93   0.676 -16.853   1.948
  751   3HD1  LEU  93          HD13      LEU  93  -0.582 -17.956   1.391
  752   1HD2  LEU  93          HD21      LEU  93  -1.664 -14.697   3.901
  753   2HD2  LEU  93          HD22      LEU  93   0.039 -14.966   3.525
  754   3HD2  LEU  93          HD23      LEU  93  -0.818 -16.084   4.587
  755    H    GLY  94           HN       GLY  94  -4.099 -13.790  -0.120
  756   1HA   GLY  94          HA2       GLY  94  -5.611 -13.311   2.111
  757   2HA   GLY  94          HA1       GLY  94  -6.188 -12.998   0.482
  758    H    ILE  95           HN       ILE  95  -6.170 -15.700  -0.382
  759    HA   ILE  95           HA       ILE  95  -8.735 -16.477   0.530
  760    HB   ILE  95           HB       ILE  95  -8.234 -18.619  -0.734
  761   1HG1  ILE  95          HG12      ILE  95  -5.910 -17.057  -1.800
  762   2HG1  ILE  95          HG11      ILE  95  -5.700 -18.234  -0.507
  763   1HG2  ILE  95          HG21      ILE  95  -8.320 -17.398  -2.923
  764   2HG2  ILE  95          HG22      ILE  95  -8.104 -15.920  -1.984
  765   3HG2  ILE  95          HG23      ILE  95  -9.524 -16.929  -1.724
  766   1HD1  ILE  95          HD11      ILE  95  -5.160 -19.177  -2.686
  767   2HD1  ILE  95          HD12      ILE  95  -6.787 -18.804  -3.257
  768   3HD1  ILE  95          HD13      ILE  95  -6.552 -19.986  -1.969
  769    H    ARG  96           HN       ARG  96  -7.840 -16.351   2.858
  770    HA   ARG  96           HA       ARG  96  -6.385 -18.613   3.768
  771   1HB   ARG  96          HB2       ARG  96  -8.192 -16.949   5.510
  772   2HB   ARG  96          HB1       ARG  96  -6.728 -17.826   5.934
  773   1HG   ARG  96          HG2       ARG  96  -6.620 -15.507   4.061
  774   2HG   ARG  96          HG1       ARG  96  -6.596 -15.287   5.811
  775   1HD   ARG  96          HD2       ARG  96  -4.677 -16.982   4.221
  776   2HD   ARG  96          HD1       ARG  96  -4.333 -15.381   4.876
  777    HE   ARG  96           HE       ARG  96  -5.140 -16.900   7.022
  778   1HH1  ARG  96          HH11      ARG  96  -2.607 -17.056   4.640
  779   2HH1  ARG  96          HH12      ARG  96  -1.494 -17.871   5.687
  780   1HH2  ARG  96          HH21      ARG  96  -3.684 -17.975   8.411
  781   2HH2  ARG  96          HH22      ARG  96  -2.106 -18.394   7.831
  782    H    LYS  97           HN       LYS  97  -9.623 -18.068   2.806
  783    HA   LYS  97           HA       LYS  97 -10.726 -20.261   4.333
  784   1HB   LYS  97          HB2       LYS  97 -12.287 -19.406   2.009
  785   2HB   LYS  97          HB1       LYS  97 -12.756 -19.490   3.696
  786   1HG   LYS  97          HG2       LYS  97 -11.284 -17.205   2.370
  787   2HG   LYS  97          HG1       LYS  97 -12.982 -17.240   2.834
  788   1HD   LYS  97          HD2       LYS  97 -12.472 -17.271   5.132
  789   2HD   LYS  97          HD1       LYS  97 -10.773 -17.646   4.831
  790   1HE   LYS  97          HE2       LYS  97 -10.445 -15.455   3.837
  791   2HE   LYS  97          HE1       LYS  97 -12.154 -15.069   4.052
  792   1HZ   LYS  97          HZ1       LYS  97 -10.782 -14.087   5.788
  793   2HZ   LYS  97          HZ2       LYS  97 -10.211 -15.615   6.239
  794   3HZ   LYS  97          HZ3       LYS  97 -11.845 -15.229   6.444
  795    H    LYS  98           HN       LYS  98  -9.230 -21.885   3.626
  796    HA   LYS  98           HA       LYS  98  -9.631 -22.757   0.844
  797   1HB   LYS  98          HB2       LYS  98  -7.321 -23.176   2.738
  798   2HB   LYS  98          HB1       LYS  98  -7.498 -24.086   1.244
  799   1HG   LYS  98          HG2       LYS  98  -7.476 -21.954  -0.012
  800   2HG   LYS  98          HG1       LYS  98  -7.176 -21.095   1.502
  801   1HD   LYS  98          HD2       LYS  98  -5.103 -22.359   1.803
  802   2HD   LYS  98          HD1       LYS  98  -5.401 -23.212   0.287
  803   1HE   LYS  98          HE2       LYS  98  -5.283 -21.116  -0.938
  804   2HE   LYS  98          HE1       LYS  98  -5.061 -20.227   0.568
  805   1HZ   LYS  98          HZ1       LYS  98  -3.189 -22.245  -0.550
  806   2HZ   LYS  98          HZ2       LYS  98  -2.978 -21.417   0.909
  807   3HZ   LYS  98          HZ3       LYS  98  -2.959 -20.568  -0.554
  808   1H    MET   1          HT1       MET   1  19.870  -4.306  -1.842
  809   2H    MET   1          HT2       MET   1  18.351  -3.786  -1.317
  810   3H    MET   1          HT3       MET   1  18.844  -3.480  -2.904
  811    HA   MET   1           HA       MET   1  18.999  -5.965  -3.189
  812   1HB   MET   1          HB2       MET   1  17.877  -5.708  -0.484
  813   2HB   MET   1          HB1       MET   1  17.038  -6.850  -1.506
  814   1HG   MET   1          HG2       MET   1  18.918  -7.708  -0.015
  815   2HG   MET   1          HG1       MET   1  18.930  -8.219  -1.701
  816   1HE   MET   1          HE1       MET   1  21.578  -8.400   0.296
  817   2HE   MET   1          HE2       MET   1  22.730  -8.059  -0.995
  818   3HE   MET   1          HE3       MET   1  21.322  -9.072  -1.314
  819    H    ALA   2           HN       ALA   2  16.672  -7.202  -3.375
  820    HA   ALA   2           HA       ALA   2  14.915  -5.254  -4.680
  821   1HB   ALA   2          HB1       ALA   2  14.121  -7.239  -6.028
  822   2HB   ALA   2          HB2       ALA   2  15.477  -8.131  -5.338
  823   3HB   ALA   2          HB3       ALA   2  15.773  -6.705  -6.330
  824    H    ALA   3           HN       ALA   3  12.624  -5.770  -4.748
  825    HA   ALA   3           HA       ALA   3  11.589  -6.447  -2.133
  826   1HB   ALA   3          HB1       ALA   3  10.056  -5.943  -4.683
  827   2HB   ALA   3          HB2       ALA   3  10.686  -4.661  -3.648
  828   3HB   ALA   3          HB3       ALA   3   9.489  -5.790  -3.023
  829    H    GLU   4           HN       GLU   4  12.259  -8.711  -2.007
  830    HA   GLU   4           HA       GLU   4  11.380 -10.614  -3.921
  831   1HB   GLU   4          HB2       GLU   4  12.654 -10.719  -1.248
  832   2HB   GLU   4          HB1       GLU   4  11.824 -12.170  -1.786
  833   1HG   GLU   4          HG2       GLU   4  14.367 -11.816  -2.251
  834   2HG   GLU   4          HG1       GLU   4  13.331 -12.573  -3.455
  835    H    THR   5           HN       THR   5  10.404 -11.519  -0.680
  836    HA   THR   5           HA       THR   5   7.704 -11.716  -1.659
  837    HB   THR   5           HB       THR   5   8.550 -12.367   1.153
  838    HG1  THR   5           HG1      THR   5   9.951 -13.602   0.014
  839   1HG2  THR   5          HG21      THR   5   6.126 -12.300   0.177
  840   2HG2  THR   5          HG22      THR   5   6.617 -13.621   1.233
  841   3HG2  THR   5          HG23      THR   5   6.568 -13.857  -0.514
  842    H    LEU   6           HN       LEU   6   7.022 -11.203   1.492
  843    HA   LEU   6           HA       LEU   6   5.806  -8.677   0.958
  844   1HB   LEU   6          HB2       LEU   6   5.855 -10.645   3.199
  845   2HB   LEU   6          HB1       LEU   6   5.295  -9.032   3.523
  846    HG   LEU   6           HG       LEU   6   3.768  -9.652   1.367
  847   1HD1  LEU   6          HD11      LEU   6   4.085 -12.200   2.941
  848   2HD1  LEU   6          HD12      LEU   6   4.684 -11.939   1.310
  849   3HD1  LEU   6          HD13      LEU   6   2.955 -11.911   1.624
  850   1HD2  LEU   6          HD21      LEU   6   2.175 -10.528   3.341
  851   2HD2  LEU   6          HD22      LEU   6   2.536  -8.824   3.072
  852   3HD2  LEU   6          HD23      LEU   6   3.423  -9.733   4.295
  853    H    THR   7           HN       THR   7   7.115  -6.896   0.974
  854    HA   THR   7           HA       THR   7   9.426  -6.654   2.612
  855    HB   THR   7           HB       THR   7   8.625  -4.047   2.093
  856    HG1  THR   7           HG1      THR   7   7.316  -4.083   0.448
  857   1HG2  THR   7          HG21      THR   7  10.501  -3.929   0.795
  858   2HG2  THR   7          HG22      THR   7  10.171  -5.446  -0.059
  859   3HG2  THR   7          HG23      THR   7  10.829  -5.470   1.587
  860    H    GLU   8           HN       GLU   8   9.651  -4.972   4.318
  861    HA   GLU   8           HA       GLU   8   8.234  -5.499   6.544
  862   1HB   GLU   8          HB2       GLU   8   9.121  -2.684   5.951
  863   2HB   GLU   8          HB1       GLU   8   9.026  -3.477   7.515
  864   1HG   GLU   8          HG2       GLU   8  10.980  -4.071   5.302
  865   2HG   GLU   8          HG1       GLU   8  11.320  -3.301   6.856
  866    H    LEU   9           HN       LEU   9   7.210  -3.431   3.955
  867    HA   LEU   9           HA       LEU   9   5.178  -1.954   5.070
  868   1HB   LEU   9          HB2       LEU   9   4.907  -3.293   2.396
  869   2HB   LEU   9          HB1       LEU   9   4.329  -1.714   2.882
  870    HG   LEU   9           HG       LEU   9   7.066  -2.555   2.043
  871   1HD1  LEU   9          HD11      LEU   9   6.849  -0.165   1.068
  872   2HD1  LEU   9          HD12      LEU   9   5.129  -0.397   1.390
  873   3HD1  LEU   9          HD13      LEU   9   5.993  -1.512   0.331
  874   1HD2  LEU   9          HD21      LEU   9   6.534  -0.779   4.294
  875   2HD2  LEU   9          HD22      LEU   9   7.497  -0.035   3.024
  876   3HD2  LEU   9          HD23      LEU   9   8.038  -1.536   3.772
  877    H    GLU  10           HN       GLU  10   5.282  -5.359   4.471
  878    HA   GLU  10           HA       GLU  10   2.574  -5.973   4.380
  879   1HB   GLU  10          HB2       GLU  10   3.347  -8.163   5.491
  880   2HB   GLU  10          HB1       GLU  10   4.019  -7.738   3.918
  881   1HG   GLU  10          HG2       GLU  10   6.062  -7.847   4.751
  882   2HG   GLU  10          HG1       GLU  10   5.662  -6.584   5.908
  883    H    ALA  11           HN       ALA  11   4.690  -5.345   7.132
  884    HA   ALA  11           HA       ALA  11   2.941  -6.026   9.195
  885   1HB   ALA  11          HB1       ALA  11   4.914  -3.737   9.161
  886   2HB   ALA  11          HB2       ALA  11   5.305  -5.411   9.549
  887   3HB   ALA  11          HB3       ALA  11   4.219  -4.495  10.594
  888    H    ALA  12           HN       ALA  12   3.067  -3.296   7.053
  889    HA   ALA  12           HA       ALA  12   1.185  -1.684   8.460
  890   1HB   ALA  12          HB1       ALA  12   2.860  -0.833   6.790
  891   2HB   ALA  12          HB2       ALA  12   1.213  -0.259   6.544
  892   3HB   ALA  12          HB3       ALA  12   1.858  -1.542   5.524
  893    H    ILE  13           HN       ILE  13   1.014  -4.292   6.171
  894    HA   ILE  13           HA       ILE  13  -1.494  -3.991   5.093
  895    HB   ILE  13           HB       ILE  13   0.314  -5.904   4.829
  896   1HG1  ILE  13          HG12      ILE  13  -1.706  -5.437   3.418
  897   2HG1  ILE  13          HG11      ILE  13  -1.239  -7.132   3.493
  898   1HG2  ILE  13          HG21      ILE  13  -0.302  -6.769   7.181
  899   2HG2  ILE  13          HG22      ILE  13  -0.079  -7.934   5.877
  900   3HG2  ILE  13          HG23      ILE  13  -1.706  -7.473   6.380
  901   1HD1  ILE  13          HD11      ILE  13  -2.990  -7.382   5.304
  902   2HD1  ILE  13          HD12      ILE  13  -3.577  -7.088   3.667
  903   3HD1  ILE  13          HD13      ILE  13  -3.548  -5.774   4.842
  904    H    GLU  14           HN       GLU  14  -0.546  -4.791   8.319
  905    HA   GLU  14           HA       GLU  14  -3.001  -5.836   9.262
  906   1HB   GLU  14          HB2       GLU  14  -0.701  -4.540  10.729
  907   2HB   GLU  14          HB1       GLU  14  -2.046  -5.353  11.517
  908   1HG   GLU  14          HG2       GLU  14  -0.093  -6.631   9.614
  909   2HG   GLU  14          HG1       GLU  14  -0.069  -6.776  11.371
  910    H    THR  15           HN       THR  15  -1.666  -2.542   9.122
  911    HA   THR  15           HA       THR  15  -3.729  -1.404  10.660
  912    HB   THR  15           HB       THR  15  -1.875  -0.107   8.673
  913    HG1  THR  15           HG1      THR  15  -0.891   0.569  10.782
  914   1HG2  THR  15          HG21      THR  15  -3.771   1.333   9.031
  915   2HG2  THR  15          HG22      THR  15  -2.404   1.981   9.940
  916   3HG2  THR  15          HG23      THR  15  -3.678   1.093  10.776
  917    H    VAL  16           HN       VAL  16  -3.049  -1.435   7.207
  918    HA   VAL  16           HA       VAL  16  -5.390  -0.149   6.315
  919    HB   VAL  16           HB       VAL  16  -3.351  -0.389   4.962
  920   1HG1  VAL  16          HG11      VAL  16  -2.761  -2.654   5.716
  921   2HG1  VAL  16          HG12      VAL  16  -2.749  -2.511   3.958
  922   3HG1  VAL  16          HG13      VAL  16  -4.098  -3.308   4.769
  923   1HG2  VAL  16          HG21      VAL  16  -4.956   0.066   3.439
  924   2HG2  VAL  16          HG22      VAL  16  -6.008  -1.234   3.988
  925   3HG2  VAL  16          HG23      VAL  16  -4.651  -1.588   2.920
  926    H    VAL  17           HN       VAL  17  -4.707  -3.530   7.029
  927    HA   VAL  17           HA       VAL  17  -7.110  -4.474   5.805
  928    HB   VAL  17           HB       VAL  17  -5.090  -5.893   6.118
  929   1HG1  VAL  17          HG11      VAL  17  -4.638  -5.174   8.452
  930   2HG1  VAL  17          HG12      VAL  17  -4.638  -6.921   8.234
  931   3HG1  VAL  17          HG13      VAL  17  -6.027  -6.122   8.970
  932   1HG2  VAL  17          HG21      VAL  17  -6.359  -7.930   6.679
  933   2HG2  VAL  17          HG22      VAL  17  -7.220  -6.883   5.550
  934   3HG2  VAL  17          HG23      VAL  17  -7.687  -6.920   7.251
  935    H    SER  18           HN       SER  18  -6.151  -3.473   9.009
  936    HA   SER  18           HA       SER  18  -8.561  -4.413  10.265
  937   1HB   SER  18          HB2       SER  18  -6.485  -4.412  11.524
  938   2HB   SER  18          HB1       SER  18  -6.330  -2.667  11.313
  939    HG   SER  18           HG       SER  18  -8.295  -4.074  12.791
  940    H    THR  19           HN       THR  19  -7.590  -1.446   8.734
  941    HA   THR  19           HA       THR  19  -9.580   0.098  10.147
  942    HB   THR  19           HB       THR  19  -8.913   1.987   8.740
  943    HG1  THR  19           HG1      THR  19  -7.363  -0.006   7.442
  944   1HG2  THR  19          HG21      THR  19  -6.446   1.983   9.444
  945   2HG2  THR  19          HG22      THR  19  -6.788   0.401  10.145
  946   3HG2  THR  19          HG23      THR  19  -7.663   1.822  10.709
  947    H    PHE  20           HN       PHE  20  -9.129   0.268   6.672
  948    HA   PHE  20           HA       PHE  20 -11.967   0.620   6.305
  949   1HB   PHE  20          HB2       PHE  20 -10.665   2.063   5.028
  950   2HB   PHE  20          HB1       PHE  20  -9.496   0.806   4.663
  951    HD1  PHE  20           HD1      PHE  20 -13.152   1.324   4.061
  952    HD2  PHE  20           HD2      PHE  20  -9.341   0.300   2.498
  953    HE1  PHE  20           HE1      PHE  20 -14.150   1.011   1.835
  954    HE2  PHE  20           HE2      PHE  20 -10.324  -0.031   0.273
  955    HZ   PHE  20           HZ       PHE  20 -12.726   0.320  -0.058
  956    H    PHE  21           HN       PHE  21  -9.650  -1.852   5.823
  957    HA   PHE  21           HA       PHE  21 -11.232  -3.375   4.082
  958   1HB   PHE  21          HB2       PHE  21  -8.757  -3.927   5.678
  959   2HB   PHE  21          HB1       PHE  21  -9.426  -5.112   4.581
  960    HD1  PHE  21           HD1      PHE  21 -10.147  -2.132   3.048
  961    HD2  PHE  21           HD2      PHE  21  -6.772  -4.542   4.008
  962    HE1  PHE  21           HE1      PHE  21  -8.862  -1.081   1.247
  963    HE2  PHE  21           HE2      PHE  21  -5.498  -3.459   2.256
  964    HZ   PHE  21           HZ       PHE  21  -6.530  -1.737   0.838
  965    H    THR  22           HN       THR  22 -11.255  -2.967   7.439
  966    HA   THR  22           HA       THR  22 -12.313  -5.523   8.093
  967    HB   THR  22           HB       THR  22 -13.094  -4.391  10.190
  968    HG1  THR  22           HG1      THR  22 -12.857  -2.223   8.783
  969   1HG2  THR  22          HG21      THR  22 -10.799  -4.054  11.019
  970   2HG2  THR  22          HG22      THR  22 -10.223  -4.057   9.347
  971   3HG2  THR  22          HG23      THR  22 -10.947  -5.509  10.035
  972    H    PHE  23           HN       PHE  23 -13.547  -2.666   6.661
  973    HA   PHE  23           HA       PHE  23 -16.271  -2.961   7.244
  974   1HB   PHE  23          HB2       PHE  23 -16.250  -1.002   6.144
  975   2HB   PHE  23          HB1       PHE  23 -14.596  -1.311   5.635
  976    HD1  PHE  23           HD1      PHE  23 -17.833  -2.856   4.485
  977    HD2  PHE  23           HD2      PHE  23 -14.381  -0.556   3.545
  978    HE1  PHE  23           HE1      PHE  23 -18.498  -2.843   2.134
  979    HE2  PHE  23           HE2      PHE  23 -15.048  -0.537   1.187
  980    HZ   PHE  23           HZ       PHE  23 -17.113  -1.674   0.485
  981    H    ALA  24           HN       ALA  24 -14.104  -4.611   5.099
  982    HA   ALA  24           HA       ALA  24 -15.595  -5.868   3.231
  983   1HB   ALA  24          HB1       ALA  24 -13.682  -7.337   5.052
  984   2HB   ALA  24          HB2       ALA  24 -13.172  -6.255   3.761
  985   3HB   ALA  24          HB3       ALA  24 -14.076  -7.718   3.375
  986    H    GLY  25           HN       GLY  25 -15.295  -6.951   6.595
  987   1HA   GLY  25          HA2       GLY  25 -16.901  -9.090   6.769
  988   2HA   GLY  25          HA1       GLY  25 -16.903  -7.841   8.003
  989    H    ARG  26           HN       ARG  26 -18.018  -5.837   6.108
  990    HA   ARG  26           HA       ARG  26 -20.669  -5.890   6.708
  991   1HB   ARG  26          HB2       ARG  26 -19.117  -4.684   4.463
  992   2HB   ARG  26          HB1       ARG  26 -20.875  -4.663   4.357
  993   1HG   ARG  26          HG2       ARG  26 -19.743  -3.784   6.927
  994   2HG   ARG  26          HG1       ARG  26 -19.440  -2.738   5.540
  995   1HD   ARG  26          HD2       ARG  26 -21.508  -2.165   6.789
  996   2HD   ARG  26          HD1       ARG  26 -21.780  -2.549   5.089
  997    HE   ARG  26           HE       ARG  26 -22.244  -4.909   6.224
  998   1HH1  ARG  26          HH11      ARG  26 -23.351  -1.718   7.105
  999   2HH1  ARG  26          HH12      ARG  26 -24.827  -2.292   7.806
 1000   1HH2  ARG  26          HH21      ARG  26 -24.185  -5.660   7.138
 1001   2HH2  ARG  26          HH22      ARG  26 -25.301  -4.527   7.824
 1002    H    GLU  27           HN       GLU  27 -19.083  -7.443   4.008
 1003    HA   GLU  27           HA       GLU  27 -21.545  -8.501   2.935
 1004   1HB   GLU  27          HB2       GLU  27 -18.684  -9.245   2.291
 1005   2HB   GLU  27          HB1       GLU  27 -20.102  -9.697   1.353
 1006   1HG   GLU  27          HG2       GLU  27 -19.080  -6.901   1.792
 1007   2HG   GLU  27          HG1       GLU  27 -18.919  -7.854   0.317
 1008    H    GLY  28           HN       GLY  28 -22.370 -10.523   3.119
 1009   1HA   GLY  28          HA2       GLY  28 -22.225 -11.956   5.418
 1010   2HA   GLY  28          HA1       GLY  28 -22.679 -12.672   3.883
 1011    H    ARG  29           HN       ARG  29 -21.314 -14.070   2.881
 1012    HA   ARG  29           HA       ARG  29 -19.582 -15.612   4.272
 1013   1HB   ARG  29          HB2       ARG  29 -20.352 -16.197   2.032
 1014   2HB   ARG  29          HB1       ARG  29 -19.374 -14.914   1.337
 1015   1HG   ARG  29          HG2       ARG  29 -17.332 -16.062   1.992
 1016   2HG   ARG  29          HG1       ARG  29 -18.283 -17.307   2.809
 1017   1HD   ARG  29          HD2       ARG  29 -18.406 -16.696  -0.141
 1018   2HD   ARG  29          HD1       ARG  29 -17.473 -18.005   0.584
 1019    HE   ARG  29           HE       ARG  29 -19.964 -18.483   1.493
 1020   1HH1  ARG  29          HH11      ARG  29 -18.698 -17.859  -1.691
 1021   2HH1  ARG  29          HH12      ARG  29 -19.895 -18.818  -2.496
 1022   1HH2  ARG  29          HH21      ARG  29 -21.546 -19.749   0.442
 1023   2HH2  ARG  29          HH22      ARG  29 -21.514 -19.891  -1.284
 1024    H    LYS  30           HN       LYS  30 -17.194 -15.892   4.016
 1025    HA   LYS  30           HA       LYS  30 -15.885 -13.299   4.434
 1026   1HB   LYS  30          HB2       LYS  30 -14.763 -16.078   4.883
 1027   2HB   LYS  30          HB1       LYS  30 -14.106 -14.557   5.470
 1028   1HG   LYS  30          HG2       LYS  30 -16.723 -15.782   6.320
 1029   2HG   LYS  30          HG1       LYS  30 -15.222 -15.787   7.249
 1030   1HD   LYS  30          HD2       LYS  30 -15.268 -13.324   7.292
 1031   2HD   LYS  30          HD1       LYS  30 -16.798 -13.352   6.415
 1032   1HE   LYS  30          HE2       LYS  30 -16.304 -14.570   9.129
 1033   2HE   LYS  30          HE1       LYS  30 -17.128 -13.040   8.825
 1034   1HZ   LYS  30          HZ1       LYS  30 -18.033 -15.715   7.902
 1035   2HZ   LYS  30          HZ2       LYS  30 -18.821 -14.252   7.586
 1036   3HZ   LYS  30          HZ3       LYS  30 -18.708 -14.824   9.173
 1037    H    GLY  31           HN       GLY  31 -16.430 -13.444   1.892
 1038   1HA   GLY  31          HA2       GLY  31 -14.057 -14.528   0.492
 1039   2HA   GLY  31          HA1       GLY  31 -15.575 -14.044  -0.273
 1040    H    SER  32           HN       SER  32 -16.108 -11.613   0.143
 1041    HA   SER  32           HA       SER  32 -13.683 -10.108   0.349
 1042   1HB   SER  32          HB2       SER  32 -13.314  -9.953  -1.799
 1043   2HB   SER  32          HB1       SER  32 -14.868 -10.686  -2.193
 1044    HG   SER  32           HG       SER  32 -15.769  -8.726  -2.344
 1045    H    LEU  33           HN       LEU  33 -14.031  -7.778  -0.168
 1046    HA   LEU  33           HA       LEU  33 -16.175  -6.775   1.508
 1047   1HB   LEU  33          HB2       LEU  33 -13.993  -5.927   2.043
 1048   2HB   LEU  33          HB1       LEU  33 -13.656  -5.622   0.380
 1049    HG   LEU  33           HG       LEU  33 -15.895  -4.101   1.521
 1050   1HD1  LEU  33          HD11      LEU  33 -13.738  -2.537   2.142
 1051   2HD1  LEU  33          HD12      LEU  33 -13.224  -4.135   2.661
 1052   3HD1  LEU  33          HD13      LEU  33 -14.707  -3.453   3.292
 1053   1HD2  LEU  33          HD21      LEU  33 -13.547  -3.219  -0.153
 1054   2HD2  LEU  33          HD22      LEU  33 -15.109  -2.438   0.013
 1055   3HD2  LEU  33          HD23      LEU  33 -14.979  -3.965  -0.849
 1056    H    ASN  34           HN       ASN  34 -17.501  -4.942   0.671
 1057    HA   ASN  34           HA       ASN  34 -17.445  -5.001  -2.264
 1058   1HB   ASN  34          HB2       ASN  34 -19.360  -6.249  -1.192
 1059   2HB   ASN  34          HB1       ASN  34 -19.923  -4.702  -0.569
 1060   1HD2  ASN  34          HD21      ASN  34 -21.850  -4.854  -1.718
 1061   2HD2  ASN  34          HD22      ASN  34 -21.924  -4.632  -3.429
 1062    H    ILE  35           HN       ILE  35 -19.805  -2.939  -1.384
 1063    HA   ILE  35           HA       ILE  35 -18.032  -0.717  -0.924
 1064    HB   ILE  35           HB       ILE  35 -19.587   0.533  -2.687
 1065   1HG1  ILE  35          HG12      ILE  35 -19.905  -0.810  -4.678
 1066   2HG1  ILE  35          HG11      ILE  35 -19.164  -2.207  -3.904
 1067   1HG2  ILE  35          HG21      ILE  35 -17.560  -0.310  -4.299
 1068   2HG2  ILE  35          HG22      ILE  35 -16.928  -0.692  -2.700
 1069   3HG2  ILE  35          HG23      ILE  35 -17.422   0.957  -3.082
 1070   1HD1  ILE  35          HD11      ILE  35 -21.345  -2.752  -3.674
 1071   2HD1  ILE  35          HD12      ILE  35 -21.875  -1.072  -3.592
 1072   3HD1  ILE  35          HD13      ILE  35 -21.134  -1.831  -2.186
 1073    H    ASN  36           HN       ASN  36 -19.866  -2.011   0.782
 1074    HA   ASN  36           HA       ASN  36 -22.177  -0.295   0.986
 1075   1HB   ASN  36          HB2       ASN  36 -22.217  -2.722   1.666
 1076   2HB   ASN  36          HB1       ASN  36 -21.180  -2.297   3.025
 1077   1HD2  ASN  36          HD21      ASN  36 -24.356  -2.262   1.735
 1078   2HD2  ASN  36          HD22      ASN  36 -25.151  -1.589   3.115
 1079    H    GLU  37           HN       GLU  37 -19.574  -1.101   3.355
 1080    HA   GLU  37           HA       GLU  37 -19.963   1.538   4.448
 1081   1HB   GLU  37          HB2       GLU  37 -17.888  -0.524   5.078
 1082   2HB   GLU  37          HB1       GLU  37 -17.911   1.052   5.825
 1083   1HG   GLU  37          HG2       GLU  37 -20.135   0.600   6.701
 1084   2HG   GLU  37          HG1       GLU  37 -20.107  -0.988   5.941
 1085    H    PHE  38           HN       PHE  38 -18.129   0.309   1.822
 1086    HA   PHE  38           HA       PHE  38 -15.995   2.075   1.705
 1087   1HB   PHE  38          HB2       PHE  38 -16.595   0.200   0.053
 1088   2HB   PHE  38          HB1       PHE  38 -17.702   1.340  -0.692
 1089    HD1  PHE  38           HD1      PHE  38 -14.663  -0.122  -1.003
 1090    HD2  PHE  38           HD2      PHE  38 -16.417   3.739  -1.126
 1091    HE1  PHE  38           HE1      PHE  38 -12.788   0.678  -2.385
 1092    HE2  PHE  38           HE2      PHE  38 -14.548   4.557  -2.498
 1093    HZ   PHE  38           HZ       PHE  38 -12.728   3.024  -3.132
 1094    H    LYS  39           HN       LYS  39 -19.413   2.476   1.230
 1095    HA   LYS  39           HA       LYS  39 -19.475   4.912  -0.079
 1096   1HB   LYS  39          HB2       LYS  39 -21.419   4.012   2.027
 1097   2HB   LYS  39          HB1       LYS  39 -21.742   5.123   0.701
 1098   1HG   LYS  39          HG2       LYS  39 -20.708   2.612  -0.221
 1099   2HG   LYS  39          HG1       LYS  39 -22.167   2.386   0.743
 1100   1HD   LYS  39          HD2       LYS  39 -21.896   4.235  -1.629
 1101   2HD   LYS  39          HD1       LYS  39 -22.666   2.644  -1.645
 1102   1HE   LYS  39          HE2       LYS  39 -24.292   3.437   0.020
 1103   2HE   LYS  39          HE1       LYS  39 -23.540   5.030  -0.015
 1104   1HZ   LYS  39          HZ1       LYS  39 -25.517   4.925  -1.412
 1105   2HZ   LYS  39          HZ2       LYS  39 -24.820   3.691  -2.336
 1106   3HZ   LYS  39          HZ3       LYS  39 -24.134   5.237  -2.337
 1107    H    GLU  40           HN       GLU  40 -18.487   4.196   3.089
 1108    HA   GLU  40           HA       GLU  40 -18.842   6.878   4.071
 1109   1HB   GLU  40          HB2       GLU  40 -17.965   6.126   6.115
 1110   2HB   GLU  40          HB1       GLU  40 -18.871   4.754   5.501
 1111   1HG   GLU  40          HG2       GLU  40 -17.077   3.475   5.636
 1112   2HG   GLU  40          HG1       GLU  40 -16.177   4.558   4.582
 1113    H    LEU  41           HN       LEU  41 -16.785   5.565   1.833
 1114    HA   LEU  41           HA       LEU  41 -14.336   6.668   2.767
 1115   1HB   LEU  41          HB2       LEU  41 -15.066   5.641   0.039
 1116   2HB   LEU  41          HB1       LEU  41 -13.448   6.069   0.545
 1117    HG   LEU  41           HG       LEU  41 -15.085   3.685   1.142
 1118   1HD1  LEU  41          HD11      LEU  41 -12.638   4.317  -0.167
 1119   2HD1  LEU  41          HD12      LEU  41 -13.498   2.778  -0.100
 1120   3HD1  LEU  41          HD13      LEU  41 -12.315   3.182   1.144
 1121   1HD2  LEU  41          HD21      LEU  41 -12.887   4.623   2.988
 1122   2HD2  LEU  41          HD22      LEU  41 -13.780   3.108   3.105
 1123   3HD2  LEU  41          HD23      LEU  41 -14.607   4.640   3.379
 1124    H    ALA  42           HN       ALA  42 -15.578   7.290  -0.460
 1125    HA   ALA  42           HA       ALA  42 -14.492   9.741  -0.881
 1126   1HB   ALA  42          HB1       ALA  42 -16.415  10.238  -2.346
 1127   2HB   ALA  42          HB2       ALA  42 -17.211   8.811  -1.695
 1128   3HB   ALA  42          HB3       ALA  42 -15.717   8.645  -2.594
 1129    H    THR  43           HN       THR  43 -17.453   9.039   0.789
 1130    HA   THR  43           HA       THR  43 -18.478  11.517   1.278
 1131    HB   THR  43           HB       THR  43 -19.195  10.408   3.558
 1132    HG1  THR  43           HG1      THR  43 -18.360   8.131   2.034
 1133   1HG2  THR  43          HG21      THR  43 -20.053   9.457   0.826
 1134   2HG2  THR  43          HG22      THR  43 -20.732  10.800   1.747
 1135   3HG2  THR  43          HG23      THR  43 -20.947   9.143   2.314
 1136    H    GLN  44           HN       GLN  44 -16.536   9.728   3.667
 1137    HA   GLN  44           HA       GLN  44 -15.883  12.100   5.177
 1138   1HB   GLN  44          HB2       GLN  44 -14.915   9.225   5.291
 1139   2HB   GLN  44          HB1       GLN  44 -14.436  10.467   6.452
 1140   1HG   GLN  44          HG2       GLN  44 -17.237   9.475   5.959
 1141   2HG   GLN  44          HG1       GLN  44 -16.212   9.068   7.338
 1142   1HE2  GLN  44          HE21      GLN  44 -18.836  10.352   7.265
 1143   2HE2  GLN  44          HE22      GLN  44 -18.645  11.871   8.067
 1144    H    GLN  45           HN       GLN  45 -14.370  10.054   2.843
 1145    HA   GLN  45           HA       GLN  45 -11.724  10.881   2.912
 1146   1HB   GLN  45          HB2       GLN  45 -13.540   9.928   0.712
 1147   2HB   GLN  45          HB1       GLN  45 -11.833  10.248   0.441
 1148   1HG   GLN  45          HG2       GLN  45 -12.537   8.475   2.690
 1149   2HG   GLN  45          HG1       GLN  45 -12.768   7.844   1.053
 1150   1HE2  GLN  45          HE21      GLN  45 -11.058   7.294  -0.136
 1151   2HE2  GLN  45          HE22      GLN  45  -9.417   7.404   0.396
 1152    H    LEU  46           HN       LEU  46 -14.630  12.261   1.466
 1153    HA   LEU  46           HA       LEU  46 -13.639  14.179  -0.204
 1154   1HB   LEU  46          HB2       LEU  46 -16.027  14.158   1.584
 1155   2HB   LEU  46          HB1       LEU  46 -15.549  15.694   0.904
 1156    HG   LEU  46           HG       LEU  46 -16.633  13.275  -0.495
 1157   1HD1  LEU  46          HD11      LEU  46 -18.190  14.969   0.235
 1158   2HD1  LEU  46          HD12      LEU  46 -18.082  14.949  -1.525
 1159   3HD1  LEU  46          HD13      LEU  46 -17.263  16.213  -0.606
 1160   1HD2  LEU  46          HD21      LEU  46 -14.988  15.472  -1.740
 1161   2HD2  LEU  46          HD22      LEU  46 -16.057  14.404  -2.648
 1162   3HD2  LEU  46          HD23      LEU  46 -14.670  13.738  -1.787
 1163    HA   PRO  47           HA       PRO  47 -12.307  17.171   3.044
 1164   1HB   PRO  47          HB2       PRO  47 -13.240  17.233   5.539
 1165   2HB   PRO  47          HB1       PRO  47 -14.131  17.998   4.215
 1166   1HG   PRO  47          HG2       PRO  47 -14.610  15.381   5.579
 1167   2HG   PRO  47          HG1       PRO  47 -15.787  16.572   4.999
 1168   1HD   PRO  47          HD2       PRO  47 -15.114  14.268   3.648
 1169   2HD   PRO  47          HD1       PRO  47 -15.766  15.730   2.882
 1170    H    HIS  48           HN       HIS  48 -10.583  15.789   2.867
 1171    HA   HIS  48           HA       HIS  48  -9.839  14.244   5.215
 1172   1HB   HIS  48          HB2       HIS  48  -9.566  13.228   2.996
 1173   2HB   HIS  48          HB1       HIS  48  -8.555  14.590   2.523
 1174    HD1  HIS  48           HD1      HIS  48  -8.615  11.839   5.144
 1175    HD2  HIS  48           HD2      HIS  48  -5.863  14.118   3.024
 1176    HE1  HIS  48           HE1      HIS  48  -6.359  11.015   5.878
 1177    HE2  HIS  48           HE2      HIS  48  -4.715  12.519   4.707
 1178    H    LEU  49           HN       LEU  49  -7.272  14.647   5.688
 1179    HA   LEU  49           HA       LEU  49  -7.013  17.372   6.338
 1180   1HB   LEU  49          HB2       LEU  49  -5.808  15.595   7.559
 1181   2HB   LEU  49          HB1       LEU  49  -4.866  15.243   6.127
 1182    HG   LEU  49           HG       LEU  49  -4.792  17.914   7.525
 1183   1HD1  LEU  49          HD11      LEU  49  -4.047  16.209   9.082
 1184   2HD1  LEU  49          HD12      LEU  49  -2.676  17.161   8.513
 1185   3HD1  LEU  49          HD13      LEU  49  -2.958  15.545   7.865
 1186   1HD2  LEU  49          HD21      LEU  49  -3.244  16.628   5.311
 1187   2HD2  LEU  49          HD22      LEU  49  -2.501  17.868   6.320
 1188   3HD2  LEU  49          HD23      LEU  49  -3.953  18.241   5.390
 1189    H    LEU  50           HN       LEU  50  -4.696  15.635   4.265
 1190    HA   LEU  50           HA       LEU  50  -4.433  17.956   2.542
 1191   1HB   LEU  50          HB2       LEU  50  -2.609  16.790   1.506
 1192   2HB   LEU  50          HB1       LEU  50  -2.447  16.645   3.246
 1193    HG   LEU  50           HG       LEU  50  -3.843  14.428   1.850
 1194   1HD1  LEU  50          HD11      LEU  50  -1.950  14.950   0.354
 1195   2HD1  LEU  50          HD12      LEU  50  -1.784  13.384   1.148
 1196   3HD1  LEU  50          HD13      LEU  50  -0.851  14.766   1.722
 1197   1HD2  LEU  50          HD21      LEU  50  -2.067  14.815   4.217
 1198   2HD2  LEU  50          HD22      LEU  50  -2.205  13.220   3.482
 1199   3HD2  LEU  50          HD23      LEU  50  -3.641  14.027   4.108
 1200    H    LYS  51           HN       LYS  51  -6.975  17.147   2.286
 1201    HA   LYS  51           HA       LYS  51  -7.811  15.136   0.775
 1202   1HB   LYS  51          HB2       LYS  51  -9.411  16.547   1.574
 1203   2HB   LYS  51          HB1       LYS  51  -8.710  17.980   0.847
 1204   1HG   LYS  51          HG2       LYS  51  -9.372  16.887  -1.374
 1205   2HG   LYS  51          HG1       LYS  51 -10.395  15.810  -0.399
 1206   1HD   LYS  51          HD2       LYS  51 -10.525  18.820  -0.696
 1207   2HD   LYS  51          HD1       LYS  51 -11.747  17.631  -1.141
 1208   1HE   LYS  51          HE2       LYS  51 -12.606  17.588   0.912
 1209   2HE   LYS  51          HE1       LYS  51 -11.019  17.507   1.683
 1210   1HZ   LYS  51          HZ1       LYS  51 -12.185  19.533   2.288
 1211   2HZ   LYS  51          HZ2       LYS  51 -12.360  19.966   0.662
 1212   3HZ   LYS  51          HZ3       LYS  51 -10.821  19.919   1.362
 1213    H    ASP  52           HN       ASP  52  -8.359  14.750  -1.316
 1214    HA   ASP  52           HA       ASP  52  -6.644  15.985  -3.362
 1215   1HB   ASP  52          HB2       ASP  52  -6.054  13.650  -2.974
 1216   2HB   ASP  52          HB1       ASP  52  -7.732  13.161  -3.193
 1217    H    VAL  53           HN       VAL  53  -9.830  15.356  -2.323
 1218    HA   VAL  53           HA       VAL  53 -11.855  15.897  -3.012
 1219    HB   VAL  53           HB       VAL  53 -11.061  18.134  -3.354
 1220   1HG1  VAL  53          HG11      VAL  53 -10.398  18.896  -5.651
 1221   2HG1  VAL  53          HG12      VAL  53 -10.194  17.196  -6.075
 1222   3HG1  VAL  53          HG13      VAL  53  -9.205  17.915  -4.804
 1223   1HG2  VAL  53          HG21      VAL  53 -13.351  17.607  -3.981
 1224   2HG2  VAL  53          HG22      VAL  53 -12.825  17.243  -5.625
 1225   3HG2  VAL  53          HG23      VAL  53 -12.693  18.887  -5.001
 1226    H    GLY  54           HN       GLY  54 -11.715  13.650  -3.623
 1227   1HA   GLY  54          HA2       GLY  54 -11.445  12.809  -6.276
 1228   2HA   GLY  54          HA1       GLY  54 -12.344  11.961  -5.023
 1229    H    SER  55           HN       SER  55 -13.418  11.644  -7.278
 1230    HA   SER  55           HA       SER  55 -15.223  13.718  -8.113
 1231   1HB   SER  55          HB2       SER  55 -14.290  11.104  -8.936
 1232   2HB   SER  55          HB1       SER  55 -15.991  11.392  -9.342
 1233    HG   SER  55           HG       SER  55 -14.147  12.120 -10.840
 1234    H    LEU  56           HN       LEU  56 -17.515  13.571  -8.100
 1235    HA   LEU  56           HA       LEU  56 -18.576  12.384  -5.699
 1236   1HB   LEU  56          HB2       LEU  56 -19.972  13.913  -7.898
 1237   2HB   LEU  56          HB1       LEU  56 -20.683  13.470  -6.358
 1238    HG   LEU  56           HG       LEU  56 -18.377  15.374  -6.766
 1239   1HD1  LEU  56          HD11      LEU  56 -19.950  17.060  -5.945
 1240   2HD1  LEU  56          HD12      LEU  56 -21.224  15.842  -5.892
 1241   3HD1  LEU  56          HD13      LEU  56 -20.516  16.311  -7.438
 1242   1HD2  LEU  56          HD21      LEU  56 -19.780  14.539  -4.229
 1243   2HD2  LEU  56          HD22      LEU  56 -18.539  15.786  -4.366
 1244   3HD2  LEU  56          HD23      LEU  56 -18.136  14.101  -4.694
 1245    H    ASP  57           HN       ASP  57 -19.836  12.274  -9.039
 1246    HA   ASP  57           HA       ASP  57 -21.399  10.030  -8.736
 1247   1HB   ASP  57          HB2       ASP  57 -20.805   9.652 -11.253
 1248   2HB   ASP  57          HB1       ASP  57 -21.793  11.035 -10.775
 1249    H    GLU  58           HN       GLU  58 -18.055  10.299  -9.370
 1250    HA   GLU  58           HA       GLU  58 -17.353   7.743 -10.143
 1251   1HB   GLU  58          HB2       GLU  58 -15.705   9.522 -10.094
 1252   2HB   GLU  58          HB1       GLU  58 -15.856   9.661  -8.346
 1253   1HG   GLU  58          HG2       GLU  58 -14.913   7.452  -8.062
 1254   2HG   GLU  58          HG1       GLU  58 -14.818   7.246  -9.811
 1255    H    LYS  59           HN       LYS  59 -18.388   8.983  -7.091
 1256    HA   LYS  59           HA       LYS  59 -17.554   6.860  -5.480
 1257   1HB   LYS  59          HB2       LYS  59 -19.895   8.719  -5.080
 1258   2HB   LYS  59          HB1       LYS  59 -19.132   7.742  -3.827
 1259   1HG   LYS  59          HG2       LYS  59 -17.094   8.978  -4.036
 1260   2HG   LYS  59          HG1       LYS  59 -17.725   9.887  -5.404
 1261   1HD   LYS  59          HD2       LYS  59 -18.522  10.050  -2.510
 1262   2HD   LYS  59          HD1       LYS  59 -17.873  11.322  -3.551
 1263   1HE   LYS  59          HE2       LYS  59 -19.944  11.298  -4.859
 1264   2HE   LYS  59          HE1       LYS  59 -20.585  10.019  -3.832
 1265   1HZ   LYS  59          HZ1       LYS  59 -19.862  12.756  -2.937
 1266   2HZ   LYS  59          HZ2       LYS  59 -20.474  11.528  -1.949
 1267   3HZ   LYS  59          HZ3       LYS  59 -21.433  12.177  -3.180
 1268    H    MET  60           HN       MET  60 -20.372   7.402  -7.465
 1269    HA   MET  60           HA       MET  60 -21.717   5.030  -6.491
 1270   1HB   MET  60          HB2       MET  60 -22.359   6.823  -8.840
 1271   2HB   MET  60          HB1       MET  60 -23.395   5.536  -8.239
 1272   1HG   MET  60          HG2       MET  60 -23.622   6.704  -6.111
 1273   2HG   MET  60          HG1       MET  60 -22.574   7.991  -6.704
 1274   1HE   MET  60          HE1       MET  60 -25.469   8.519  -5.472
 1275   2HE   MET  60          HE2       MET  60 -26.095   9.712  -6.609
 1276   3HE   MET  60          HE3       MET  60 -24.417   9.800  -6.073
 1277    H    LYS  61           HN       LYS  61 -19.589   5.879  -9.043
 1278    HA   LYS  61           HA       LYS  61 -20.036   3.472 -10.565
 1279   1HB   LYS  61          HB2       LYS  61 -19.430   5.248 -11.912
 1280   2HB   LYS  61          HB1       LYS  61 -18.218   5.839 -10.785
 1281   1HG   LYS  61          HG2       LYS  61 -16.819   3.892 -11.346
 1282   2HG   LYS  61          HG1       LYS  61 -18.012   3.416 -12.556
 1283   1HD   LYS  61          HD2       LYS  61 -17.662   5.465 -13.781
 1284   2HD   LYS  61          HD1       LYS  61 -16.580   6.073 -12.526
 1285   1HE   LYS  61          HE2       LYS  61 -16.049   3.556 -14.091
 1286   2HE   LYS  61          HE1       LYS  61 -15.461   5.143 -14.585
 1287   1HZ   LYS  61          HZ1       LYS  61 -14.142   5.308 -12.652
 1288   2HZ   LYS  61          HZ2       LYS  61 -13.866   3.756 -13.267
 1289   3HZ   LYS  61          HZ3       LYS  61 -14.878   3.968 -11.929
 1290    H    THR  62           HN       THR  62 -17.520   4.822  -8.499
 1291    HA   THR  62           HA       THR  62 -15.694   2.756  -8.602
 1292    HB   THR  62           HB       THR  62 -16.366   4.528  -6.249
 1293    HG1  THR  62           HG1      THR  62 -15.651   5.528  -8.246
 1294   1HG2  THR  62          HG21      THR  62 -15.109   2.819  -5.285
 1295   2HG2  THR  62          HG22      THR  62 -13.881   4.009  -5.723
 1296   3HG2  THR  62          HG23      THR  62 -14.138   2.590  -6.738
 1297    H    LEU  63           HN       LEU  63 -18.801   2.872  -7.115
 1298    HA   LEU  63           HA       LEU  63 -18.691   1.021  -5.106
 1299   1HB   LEU  63          HB2       LEU  63 -20.686   2.070  -6.897
 1300   2HB   LEU  63          HB1       LEU  63 -21.014   0.388  -6.535
 1301    HG   LEU  63           HG       LEU  63 -20.834   1.012  -4.092
 1302   1HD1  LEU  63          HD11      LEU  63 -21.215   3.815  -5.076
 1303   2HD1  LEU  63          HD12      LEU  63 -19.647   3.176  -4.586
 1304   3HD1  LEU  63          HD13      LEU  63 -20.969   3.261  -3.420
 1305   1HD2  LEU  63          HD21      LEU  63 -23.106   1.875  -3.993
 1306   2HD2  LEU  63          HD22      LEU  63 -22.969   0.612  -5.216
 1307   3HD2  LEU  63          HD23      LEU  63 -23.026   2.306  -5.701
 1308    H    ASP  64           HN       ASP  64 -19.217   0.383  -8.550
 1309    HA   ASP  64           HA       ASP  64 -18.978  -2.465  -8.215
 1310   1HB   ASP  64          HB2       ASP  64 -20.461  -1.666  -9.925
 1311   2HB   ASP  64          HB1       ASP  64 -19.185  -0.696 -10.656
 1312    H    VAL  65           HN       VAL  65 -16.984   0.106  -9.654
 1313    HA   VAL  65           HA       VAL  65 -14.890  -1.462 -10.600
 1314    HB   VAL  65           HB       VAL  65 -14.697   1.314  -9.421
 1315   1HG1  VAL  65          HG11      VAL  65 -12.706   1.531 -10.862
 1316   2HG1  VAL  65          HG12      VAL  65 -12.848  -0.178 -11.277
 1317   3HG1  VAL  65          HG13      VAL  65 -12.511   0.300  -9.613
 1318   1HG2  VAL  65          HG21      VAL  65 -16.331   1.297 -11.175
 1319   2HG2  VAL  65          HG22      VAL  65 -15.260   0.370 -12.227
 1320   3HG2  VAL  65          HG23      VAL  65 -14.856   2.033 -11.803
 1321    H    ASN  66           HN       ASN  66 -15.050   0.268  -7.485
 1322    HA   ASN  66           HA       ASN  66 -12.785  -1.189  -6.458
 1323   1HB   ASN  66          HB2       ASN  66 -14.555   0.974  -5.417
 1324   2HB   ASN  66          HB1       ASN  66 -13.569   0.042  -4.291
 1325   1HD2  ASN  66          HD21      ASN  66 -12.585   0.768  -7.578
 1326   2HD2  ASN  66          HD22      ASN  66 -11.299   1.838  -7.157
 1327    H    GLN  67           HN       GLN  67 -15.595  -2.443  -7.028
 1328    HA   GLN  67           HA       GLN  67 -16.921  -3.348  -4.870
 1329   1HB   GLN  67          HB2       GLN  67 -17.352  -4.084  -7.172
 1330   2HB   GLN  67          HB1       GLN  67 -15.870  -5.038  -7.133
 1331   1HG   GLN  67          HG2       GLN  67 -17.880  -5.576  -5.030
 1332   2HG   GLN  67          HG1       GLN  67 -18.270  -6.081  -6.676
 1333   1HE2  GLN  67          HE21      GLN  67 -16.238  -6.602  -3.908
 1334   2HE2  GLN  67          HE22      GLN  67 -15.455  -8.033  -4.480
 1335    H    ASP  68           HN       ASP  68 -14.183  -5.075  -6.241
 1336    HA   ASP  68           HA       ASP  68 -13.793  -6.621  -3.843
 1337   1HB   ASP  68          HB2       ASP  68 -12.234  -6.564  -6.440
 1338   2HB   ASP  68          HB1       ASP  68 -12.020  -7.737  -5.142
 1339    H    SER  69           HN       SER  69 -13.141  -3.527  -4.194
 1340    HA   SER  69           HA       SER  69 -10.465  -3.006  -4.160
 1341   1HB   SER  69          HB2       SER  69 -12.798  -1.794  -2.770
 1342   2HB   SER  69          HB1       SER  69 -11.226  -1.391  -2.114
 1343    HG   SER  69           HG       SER  69 -10.974  -0.083  -3.726
 1344    H    GLU  70           HN       GLU  70 -12.407  -4.522  -1.742
 1345    HA   GLU  70           HA       GLU  70  -9.979  -5.364  -0.368
 1346   1HB   GLU  70          HB2       GLU  70 -10.795  -3.755   1.156
 1347   2HB   GLU  70          HB1       GLU  70 -12.444  -4.287   0.908
 1348   1HG   GLU  70          HG2       GLU  70 -11.699  -5.088   3.060
 1349   2HG   GLU  70          HG1       GLU  70 -11.880  -6.460   1.964
 1350    H    LEU  71           HN       LEU  71 -10.117  -7.355   0.605
 1351    HA   LEU  71           HA       LEU  71 -12.503  -8.828   0.230
 1352   1HB   LEU  71          HB2       LEU  71 -11.347 -10.647  -0.927
 1353   2HB   LEU  71          HB1       LEU  71 -11.553  -9.160  -1.850
 1354    HG   LEU  71           HG       LEU  71  -9.355 -10.142  -2.113
 1355   1HD1  LEU  71          HD11      LEU  71  -9.989  -7.540  -1.807
 1356   2HD1  LEU  71          HD12      LEU  71  -8.425  -8.060  -2.321
 1357   3HD1  LEU  71          HD13      LEU  71  -8.697  -7.711  -0.636
 1358   1HD2  LEU  71          HD21      LEU  71  -9.320 -11.072   0.213
 1359   2HD2  LEU  71          HD22      LEU  71  -8.707  -9.489   0.679
 1360   3HD2  LEU  71          HD23      LEU  71  -7.816 -10.482  -0.474
 1361    H    ARG  72           HN       ARG  72 -12.292 -11.071   0.865
 1362    HA   ARG  72           HA       ARG  72 -10.703 -11.379   3.299
 1363   1HB   ARG  72          HB2       ARG  72 -13.066 -13.026   2.498
 1364   2HB   ARG  72          HB1       ARG  72 -12.450 -12.735   4.118
 1365   1HG   ARG  72          HG2       ARG  72 -14.080 -10.939   2.359
 1366   2HG   ARG  72          HG1       ARG  72 -14.464 -11.543   3.975
 1367   1HD   ARG  72          HD2       ARG  72 -12.532  -9.404   3.155
 1368   2HD   ARG  72          HD1       ARG  72 -13.849  -9.334   4.334
 1369    HE   ARG  72           HE       ARG  72 -12.169 -11.176   5.389
 1370   1HH1  ARG  72          HH11      ARG  72 -11.737  -7.912   4.255
 1371   2HH1  ARG  72          HH12      ARG  72 -10.469  -7.553   5.379
 1372   1HH2  ARG  72          HH21      ARG  72 -10.505 -10.713   6.872
 1373   2HH2  ARG  72          HH22      ARG  72  -9.768  -9.146   6.866
 1374    H    PHE  73           HN       PHE  73 -11.359 -12.514   0.087
 1375    HA   PHE  73           HA       PHE  73  -9.935 -14.977   0.560
 1376   1HB   PHE  73          HB2       PHE  73 -10.869 -15.632  -1.710
 1377   2HB   PHE  73          HB1       PHE  73 -11.961 -15.525  -0.367
 1378    HD1  PHE  73           HD1      PHE  73 -11.059 -12.313  -1.790
 1379    HD2  PHE  73           HD2      PHE  73 -13.697 -15.639  -2.106
 1380    HE1  PHE  73           HE1      PHE  73 -12.580 -10.983  -3.176
 1381    HE2  PHE  73           HE2      PHE  73 -15.218 -14.305  -3.489
 1382    HZ   PHE  73           HZ       PHE  73 -14.660 -11.973  -4.033
 1383    H    SER  74           HN       SER  74 -10.024 -14.078  -2.741
 1384    HA   SER  74           HA       SER  74  -7.118 -13.799  -2.555
 1385   1HB   SER  74          HB2       SER  74  -7.230 -14.620  -5.042
 1386   2HB   SER  74          HB1       SER  74  -7.265 -15.777  -3.713
 1387    HG   SER  74           HG       SER  74  -9.139 -16.378  -4.432
 1388    H    GLU  75           HN       GLU  75  -9.693 -12.003  -3.136
 1389    HA   GLU  75           HA       GLU  75  -8.982 -10.610  -5.497
 1390   1HB   GLU  75          HB2       GLU  75 -10.820 -10.347  -3.231
 1391   2HB   GLU  75          HB1       GLU  75 -10.379  -8.818  -3.972
 1392   1HG   GLU  75          HG2       GLU  75 -11.714 -11.182  -5.234
 1393   2HG   GLU  75          HG1       GLU  75 -12.438  -9.625  -4.818
 1394    H    TYR  76           HN       TYR  76  -7.424 -10.794  -2.482
 1395    HA   TYR  76           HA       TYR  76  -6.809  -8.396  -1.603
 1396   1HB   TYR  76          HB2       TYR  76  -5.340 -10.876  -1.600
 1397   2HB   TYR  76          HB1       TYR  76  -4.314  -9.460  -1.406
 1398    HD1  TYR  76           HD1      TYR  76  -6.756  -7.959   0.101
 1399    HD2  TYR  76           HD2      TYR  76  -4.681 -11.634   0.632
 1400    HE1  TYR  76           HE1      TYR  76  -7.429  -7.963   2.417
 1401    HE2  TYR  76           HE2      TYR  76  -5.347 -11.647   2.992
 1402    HH   TYR  76           HH       TYR  76  -6.027 -10.020   4.732
 1403    H    TRP  77           HN       TRP  77  -5.722  -9.485  -4.653
 1404    HA   TRP  77           HA       TRP  77  -3.655  -7.633  -5.109
 1405   1HB   TRP  77          HB2       TRP  77  -4.178  -7.950  -7.499
 1406   2HB   TRP  77          HB1       TRP  77  -4.168  -9.494  -6.642
 1407    HD1  TRP  77           HD1      TRP  77  -6.867  -6.821  -7.511
 1408    HE1  TRP  77           HE1      TRP  77  -8.980  -8.077  -8.209
 1409    HE3  TRP  77           HE3      TRP  77  -5.239 -11.613  -6.839
 1410    HZ2  TRP  77           HZ2      TRP  77  -9.877 -10.759  -8.436
 1411    HZ3  TRP  77           HZ3      TRP  77  -6.783 -13.467  -7.291
 1412    HH2  TRP  77           HH2      TRP  77  -9.056 -13.051  -8.076
 1413    H    ARG  78           HN       ARG  78  -7.009  -7.112  -4.641
 1414    HA   ARG  78           HA       ARG  78  -7.246  -4.775  -6.151
 1415   1HB   ARG  78          HB2       ARG  78  -8.929  -6.115  -4.080
 1416   2HB   ARG  78          HB1       ARG  78  -9.301  -4.459  -4.557
 1417   1HG   ARG  78          HG2       ARG  78  -9.160  -6.850  -6.357
 1418   2HG   ARG  78          HG1       ARG  78 -10.600  -5.995  -5.821
 1419   1HD   ARG  78          HD2       ARG  78  -8.486  -5.098  -7.731
 1420   2HD   ARG  78          HD1       ARG  78 -10.234  -5.155  -7.948
 1421    HE   ARG  78           HE       ARG  78  -9.991  -3.347  -5.999
 1422   1HH1  ARG  78          HH11      ARG  78  -8.351  -3.688  -9.057
 1423   2HH1  ARG  78          HH12      ARG  78  -8.126  -1.984  -9.269
 1424   1HH2  ARG  78          HH21      ARG  78  -9.705  -1.104  -6.278
 1425   2HH2  ARG  78          HH22      ARG  78  -8.896  -0.516  -7.692
 1426    H    LEU  79           HN       LEU  79  -6.474  -5.468  -2.758
 1427    HA   LEU  79           HA       LEU  79  -6.407  -2.810  -1.836
 1428   1HB   LEU  79          HB2       LEU  79  -4.320  -4.661  -0.874
 1429   2HB   LEU  79          HB1       LEU  79  -5.372  -3.616   0.043
 1430    HG   LEU  79           HG       LEU  79  -5.996  -6.356  -1.063
 1431   1HD1  LEU  79          HD11      LEU  79  -5.273  -5.189   1.552
 1432   2HD1  LEU  79          HD12      LEU  79  -5.028  -6.816   0.929
 1433   3HD1  LEU  79          HD13      LEU  79  -6.601  -6.346   1.574
 1434   1HD2  LEU  79          HD21      LEU  79  -8.192  -6.009   0.036
 1435   2HD2  LEU  79          HD22      LEU  79  -7.934  -5.046  -1.410
 1436   3HD2  LEU  79          HD23      LEU  79  -7.801  -4.297   0.182
 1437    H    ILE  80           HN       ILE  80  -4.266  -4.717  -3.756
 1438    HA   ILE  80           HA       ILE  80  -1.838  -3.622  -3.540
 1439    HB   ILE  80           HB       ILE  80  -2.969  -5.339  -5.277
 1440   1HG1  ILE  80          HG12      ILE  80  -0.387  -3.863  -5.855
 1441   2HG1  ILE  80          HG11      ILE  80  -0.568  -5.087  -4.602
 1442   1HG2  ILE  80          HG21      ILE  80  -2.676  -4.495  -7.579
 1443   2HG2  ILE  80          HG22      ILE  80  -2.424  -2.872  -6.941
 1444   3HG2  ILE  80          HG23      ILE  80  -3.976  -3.673  -6.722
 1445   1HD1  ILE  80          HD11      ILE  80  -1.142  -6.736  -6.306
 1446   2HD1  ILE  80          HD12      ILE  80   0.440  -6.013  -6.601
 1447   3HD1  ILE  80          HD13      ILE  80  -0.953  -5.506  -7.556
 1448    H    GLY  81           HN       GLY  81  -4.396  -2.202  -5.601
 1449   1HA   GLY  81          HA2       GLY  81  -2.830   0.199  -6.006
 1450   2HA   GLY  81          HA1       GLY  81  -4.434  -0.122  -6.644
 1451    H    GLU  82           HN       GLU  82  -4.922  -0.884  -3.577
 1452    HA   GLU  82           HA       GLU  82  -6.159   1.622  -2.953
 1453   1HB   GLU  82          HB2       GLU  82  -5.946  -0.931  -1.451
 1454   2HB   GLU  82          HB1       GLU  82  -6.953   0.419  -0.963
 1455   1HG   GLU  82          HG2       GLU  82  -7.725  -0.017  -3.557
 1456   2HG   GLU  82          HG1       GLU  82  -7.442  -1.646  -2.947
 1457    H    LEU  83           HN       LEU  83  -3.799  -0.468  -1.298
 1458    HA   LEU  83           HA       LEU  83  -3.220   1.272   0.794
 1459   1HB   LEU  83          HB2       LEU  83  -1.493  -0.776  -0.588
 1460   2HB   LEU  83          HB1       LEU  83  -0.950   0.128   0.814
 1461    HG   LEU  83           HG       LEU  83  -2.918  -0.809   2.077
 1462   1HD1  LEU  83          HD11      LEU  83  -4.376  -1.417   0.298
 1463   2HD1  LEU  83          HD12      LEU  83  -3.891  -2.898   1.122
 1464   3HD1  LEU  83          HD13      LEU  83  -3.156  -2.466  -0.422
 1465   1HD2  LEU  83          HD21      LEU  83  -0.755  -1.737   2.459
 1466   2HD2  LEU  83          HD22      LEU  83  -0.825  -2.666   0.962
 1467   3HD2  LEU  83          HD23      LEU  83  -1.890  -3.078   2.306
 1468    H    ALA  84           HN       ALA  84  -2.493   1.451  -2.548
 1469    HA   ALA  84           HA       ALA  84  -0.402   3.362  -2.250
 1470   1HB   ALA  84          HB1       ALA  84  -1.227   3.768  -4.760
 1471   2HB   ALA  84          HB2       ALA  84  -1.906   2.166  -4.471
 1472   3HB   ALA  84          HB3       ALA  84  -0.172   2.435  -4.292
 1473    H    LYS  85           HN       LYS  85  -3.913   3.550  -2.672
 1474    HA   LYS  85           HA       LYS  85  -4.359   6.113  -3.432
 1475   1HB   LYS  85          HB2       LYS  85  -5.772   4.268  -1.688
 1476   2HB   LYS  85          HB1       LYS  85  -6.125   5.947  -1.347
 1477   1HG   LYS  85          HG2       LYS  85  -7.594   5.932  -2.994
 1478   2HG   LYS  85          HG1       LYS  85  -6.272   5.678  -4.132
 1479   1HD   LYS  85          HD2       LYS  85  -8.105   4.003  -4.319
 1480   2HD   LYS  85          HD1       LYS  85  -6.522   3.300  -3.995
 1481   1HE   LYS  85          HE2       LYS  85  -8.384   2.292  -2.679
 1482   2HE   LYS  85          HE1       LYS  85  -7.078   2.937  -1.692
 1483   1HZ   LYS  85          HZ1       LYS  85  -9.792   4.007  -2.088
 1484   2HZ   LYS  85          HZ2       LYS  85  -8.538   5.017  -1.571
 1485   3HZ   LYS  85          HZ3       LYS  85  -8.978   3.674  -0.646
 1486    H    GLU  86           HN       GLU  86  -3.666   5.125  -0.230
 1487    HA   GLU  86           HA       GLU  86  -3.620   7.637   0.964
 1488   1HB   GLU  86          HB2       GLU  86  -2.092   6.557   2.660
 1489   2HB   GLU  86          HB1       GLU  86  -3.613   5.715   2.392
 1490   1HG   GLU  86          HG2       GLU  86  -2.432   4.181   0.886
 1491   2HG   GLU  86          HG1       GLU  86  -0.921   4.993   1.271
 1492    H    VAL  87           HN       VAL  87  -1.051   5.727  -0.511
 1493    HA   VAL  87           HA       VAL  87   0.909   7.795  -0.162
 1494    HB   VAL  87           HB       VAL  87   1.203   5.322  -1.848
 1495   1HG1  VAL  87          HG11      VAL  87   3.479   6.269  -0.324
 1496   2HG1  VAL  87          HG12      VAL  87   2.866   7.497  -1.427
 1497   3HG1  VAL  87          HG13      VAL  87   3.337   5.913  -2.044
 1498   1HG2  VAL  87          HG21      VAL  87   1.329   5.682   1.124
 1499   2HG2  VAL  87          HG22      VAL  87   2.318   4.464   0.321
 1500   3HG2  VAL  87          HG23      VAL  87   0.562   4.401   0.185
 1501    H    ARG  88           HN       ARG  88  -1.611   7.665  -2.210
 1502    HA   ARG  88           HA       ARG  88  -0.261   8.336  -4.665
 1503   1HB   ARG  88          HB2       ARG  88  -2.449   7.123  -4.565
 1504   2HB   ARG  88          HB1       ARG  88  -3.192   8.609  -3.981
 1505   1HG   ARG  88          HG2       ARG  88  -2.667   9.741  -6.043
 1506   2HG   ARG  88          HG1       ARG  88  -1.779   8.332  -6.627
 1507   1HD   ARG  88          HD2       ARG  88  -4.731   8.446  -6.011
 1508   2HD   ARG  88          HD1       ARG  88  -4.006   8.445  -7.618
 1509    HE   ARG  88           HE       ARG  88  -3.066   6.180  -6.360
 1510   1HH1  ARG  88          HH11      ARG  88  -6.168   7.482  -7.259
 1511   2HH1  ARG  88          HH12      ARG  88  -6.903   5.929  -7.476
 1512   1HH2  ARG  88          HH21      ARG  88  -4.024   4.129  -6.642
 1513   2HH2  ARG  88          HH22      ARG  88  -5.685   4.023  -7.122
 1514    H    LYS  89           HN       LYS  89  -2.654  10.165  -2.762
 1515    HA   LYS  89           HA       LYS  89  -1.886  12.661  -3.864
 1516   1HB   LYS  89          HB2       LYS  89  -3.199  13.663  -2.041
 1517   2HB   LYS  89          HB1       LYS  89  -4.084  12.389  -2.853
 1518   1HG   LYS  89          HG2       LYS  89  -2.524  11.772  -0.352
 1519   2HG   LYS  89          HG1       LYS  89  -4.103  12.572  -0.253
 1520   1HD   LYS  89          HD2       LYS  89  -3.401   9.791  -1.004
 1521   2HD   LYS  89          HD1       LYS  89  -4.740  10.394  -0.038
 1522   1HE   LYS  89          HE2       LYS  89  -5.859  11.158  -2.090
 1523   2HE   LYS  89          HE1       LYS  89  -4.525  10.513  -3.045
 1524   1HZ   LYS  89          HZ1       LYS  89  -5.993   8.760  -1.192
 1525   2HZ   LYS  89          HZ2       LYS  89  -5.122   8.352  -2.583
 1526   3HZ   LYS  89          HZ3       LYS  89  -6.632   9.100  -2.721
 1527    H    GLU  90           HN       GLU  90  -0.970  10.818  -1.081
 1528    HA   GLU  90           HA       GLU  90   0.502  12.727   0.320
 1529   1HB   GLU  90          HB2       GLU  90   0.512   9.743   0.143
 1530   2HB   GLU  90          HB1       GLU  90   1.717  10.566   1.131
 1531   1HG   GLU  90          HG2       GLU  90  -1.234  11.051   1.411
 1532   2HG   GLU  90          HG1       GLU  90  -0.391   9.759   2.283
 1533    H    LYS  91           HN       LYS  91   1.129  11.177  -2.671
 1534    HA   LYS  91           HA       LYS  91   3.871  11.008  -2.759
 1535   1HB   LYS  91          HB2       LYS  91   3.712  11.010  -5.101
 1536   2HB   LYS  91          HB1       LYS  91   2.181  10.350  -4.550
 1537   1HG   LYS  91          HG2       LYS  91   1.121  12.530  -4.901
 1538   2HG   LYS  91          HG1       LYS  91   2.660  13.179  -5.465
 1539   1HD   LYS  91          HD2       LYS  91   2.660  11.440  -7.251
 1540   2HD   LYS  91          HD1       LYS  91   1.036  10.980  -6.736
 1541   1HE   LYS  91          HE2       LYS  91   0.227  13.218  -7.238
 1542   2HE   LYS  91          HE1       LYS  91   1.854  13.718  -7.699
 1543   1HZ   LYS  91          HZ1       LYS  91   0.547  13.199  -9.643
 1544   2HZ   LYS  91          HZ2       LYS  91   0.212  11.649  -9.056
 1545   3HZ   LYS  91          HZ3       LYS  91   1.795  12.067  -9.482
 1546    H    ALA  92           HN       ALA  92   1.831  13.783  -3.499
 1547    HA   ALA  92           HA       ALA  92   4.115  15.527  -3.796
 1548   1HB   ALA  92          HB1       ALA  92   2.382  17.296  -4.100
 1549   2HB   ALA  92          HB2       ALA  92   1.153  16.049  -3.864
 1550   3HB   ALA  92          HB3       ALA  92   2.267  15.946  -5.230
 1551    H    LEU  93           HN       LEU  93   2.100  14.553  -1.167
 1552    HA   LEU  93           HA       LEU  93   2.696  16.931   0.363
 1553   1HB   LEU  93          HB2       LEU  93   0.616  15.425   0.642
 1554   2HB   LEU  93          HB1       LEU  93   1.681  14.383   1.572
 1555    HG   LEU  93           HG       LEU  93   2.214  16.763   2.736
 1556   1HD1  LEU  93          HD11      LEU  93   0.106  17.946   3.093
 1557   2HD1  LEU  93          HD12      LEU  93  -0.694  16.869   1.949
 1558   3HD1  LEU  93          HD13      LEU  93   0.578  17.958   1.394
 1559   1HD2  LEU  93          HD21      LEU  93   1.614  14.643   3.847
 1560   2HD2  LEU  93          HD22      LEU  93  -0.085  14.963   3.498
 1561   3HD2  LEU  93          HD23      LEU  93   0.812  16.040   4.566
 1562    H    GLY  94           HN       GLY  94   4.058  13.787  -0.158
 1563   1HA   GLY  94          HA2       GLY  94   5.578  13.282   2.053
 1564   2HA   GLY  94          HA1       GLY  94   6.159  12.995   0.417
 1565    H    ILE  95           HN       ILE  95   6.150  15.736  -0.392
 1566    HA   ILE  95           HA       ILE  95   8.723  16.481   0.525
 1567    HB   ILE  95           HB       ILE  95   8.166  18.692  -0.647
 1568   1HG1  ILE  95          HG12      ILE  95   5.950  17.044  -1.824
 1569   2HG1  ILE  95          HG11      ILE  95   5.664  18.213  -0.538
 1570   1HG2  ILE  95          HG21      ILE  95   8.457  17.613  -2.863
 1571   2HG2  ILE  95          HG22      ILE  95   8.231  16.071  -2.050
 1572   3HG2  ILE  95          HG23      ILE  95   9.597  17.093  -1.620
 1573   1HD1  ILE  95          HD11      ILE  95   5.150  19.167  -2.701
 1574   2HD1  ILE  95          HD12      ILE  95   6.781  18.806  -3.270
 1575   3HD1  ILE  95          HD13      ILE  95   6.537  19.987  -1.983
 1576    H    ARG  96           HN       ARG  96   7.807  16.316   2.867
 1577    HA   ARG  96           HA       ARG  96   6.394  18.552   3.872
 1578   1HB   ARG  96          HB2       ARG  96   8.323  16.812   5.416
 1579   2HB   ARG  96          HB1       ARG  96   6.974  17.743   6.054
 1580   1HG   ARG  96          HG2       ARG  96   6.651  15.437   4.148
 1581   2HG   ARG  96          HG1       ARG  96   6.587  15.278   5.903
 1582   1HD   ARG  96          HD2       ARG  96   4.785  17.047   4.251
 1583   2HD   ARG  96          HD1       ARG  96   4.351  15.453   4.868
 1584    HE   ARG  96           HE       ARG  96   5.170  16.954   7.045
 1585   1HH1  ARG  96          HH11      ARG  96   2.646  17.059   4.647
 1586   2HH1  ARG  96          HH12      ARG  96   1.514  17.855   5.688
 1587   1HH2  ARG  96          HH21      ARG  96   3.687  17.999   8.423
 1588   2HH2  ARG  96          HH22      ARG  96   2.105  18.389   7.836
 1589    H    LYS  97           HN       LYS  97   9.595  18.091   2.766
 1590    HA   LYS  97           HA       LYS  97  10.709  20.280   4.284
 1591   1HB   LYS  97          HB2       LYS  97  12.280  19.420   1.980
 1592   2HB   LYS  97          HB1       LYS  97  12.736  19.503   3.672
 1593   1HG   LYS  97          HG2       LYS  97  11.236  17.241   2.362
 1594   2HG   LYS  97          HG1       LYS  97  12.945  17.248   2.784
 1595   1HD   LYS  97          HD2       LYS  97  12.474  17.311   5.101
 1596   2HD   LYS  97          HD1       LYS  97  10.770  17.675   4.819
 1597   1HE   LYS  97          HE2       LYS  97  10.466  15.468   3.813
 1598   2HE   LYS  97          HE1       LYS  97  12.168  15.107   4.082
 1599   1HZ   LYS  97          HZ1       LYS  97  10.755  14.135   5.791
 1600   2HZ   LYS  97          HZ2       LYS  97  10.180  15.668   6.215
 1601   3HZ   LYS  97          HZ3       LYS  97  11.809  15.279   6.454
 1602    H    LYS  98           HN       LYS  98   9.229  21.903   3.588
 1603    HA   LYS  98           HA       LYS  98   9.644  22.784   0.813
 1604   1HB   LYS  98          HB2       LYS  98   7.321  23.167   2.692
 1605   2HB   LYS  98          HB1       LYS  98   7.511  24.122   1.227
 1606   1HG   LYS  98          HG2       LYS  98   7.464  22.079  -0.114
 1607   2HG   LYS  98          HG1       LYS  98   7.266  21.117   1.351
 1608   1HD   LYS  98          HD2       LYS  98   5.158  22.313   1.817
 1609   2HD   LYS  98          HD1       LYS  98   5.358  23.216   0.314
 1610   1HE   LYS  98          HE2       LYS  98   5.283  21.117  -0.948
 1611   2HE   LYS  98          HE1       LYS  98   5.072  20.223   0.556
 1612   1HZ   LYS  98          HZ1       LYS  98   3.192  22.245  -0.539
 1613   2HZ   LYS  98          HZ2       LYS  98   2.991  21.412   0.919
 1614   3HZ   LYS  98          HZ3       LYS  98   2.960  20.569  -0.547
  Start of MODEL    5
    1   1H    MET   1          HT1       MET   1 -18.568   3.923  -3.433
    2   2H    MET   1          HT2       MET   1 -19.705   4.671  -2.432
    3   3H    MET   1          HT3       MET   1 -18.268   4.073  -1.774
    4    HA   MET   1           HA       MET   1 -18.680   6.429  -3.487
    5   1HB   MET   1          HB2       MET   1 -17.721   5.902  -0.713
    6   2HB   MET   1          HB1       MET   1 -16.917   7.173  -1.614
    7   1HG   MET   1          HG2       MET   1 -18.923   7.842  -0.156
    8   2HG   MET   1          HG1       MET   1 -18.789   8.501  -1.772
    9   1HE   MET   1          HE1       MET   1 -22.611   8.311  -1.593
   10   2HE   MET   1          HE2       MET   1 -21.172   9.307  -1.373
   11   3HE   MET   1          HE3       MET   1 -21.787   8.334  -0.037
   12    H    ALA   2           HN       ALA   2 -16.344   7.640  -3.396
   13    HA   ALA   2           HA       ALA   2 -14.545   5.752  -4.734
   14   1HB   ALA   2          HB1       ALA   2 -14.858   8.707  -5.197
   15   2HB   ALA   2          HB2       ALA   2 -15.417   7.411  -6.254
   16   3HB   ALA   2          HB3       ALA   2 -13.690   7.668  -6.012
   17    H    ALA   3           HN       ALA   3 -12.247   6.202  -4.648
   18    HA   ALA   3           HA       ALA   3 -11.381   6.676  -1.971
   19   1HB   ALA   3          HB1       ALA   3 -10.365   5.102  -3.755
   20   2HB   ALA   3          HB2       ALA   3  -9.279   5.972  -2.671
   21   3HB   ALA   3          HB3       ALA   3  -9.527   6.548  -4.320
   22    H    GLU   4           HN       GLU   4 -11.734   8.755  -1.341
   23    HA   GLU   4           HA       GLU   4 -11.206  11.006  -2.984
   24   1HB   GLU   4          HB2       GLU   4 -12.666  10.661  -0.797
   25   2HB   GLU   4          HB1       GLU   4 -11.208  11.252  -0.019
   26   1HG   GLU   4          HG2       GLU   4 -13.035  12.639  -1.916
   27   2HG   GLU   4          HG1       GLU   4 -12.451  13.169  -0.341
   28    H    THR   5           HN       THR   5  -9.685  12.234  -0.397
   29    HA   THR   5           HA       THR   5  -7.139  12.072  -1.592
   30    HB   THR   5           HB       THR   5  -7.942  13.060   1.147
   31    HG1  THR   5           HG1      THR   5  -7.101  14.673  -1.006
   32   1HG2  THR   5          HG21      THR   5  -5.324  13.513  -0.294
   33   2HG2  THR   5          HG22      THR   5  -5.539  12.366   1.027
   34   3HG2  THR   5          HG23      THR   5  -5.768  14.093   1.312
   35    H    LEU   6           HN       LEU   6  -7.380  11.389   1.860
   36    HA   LEU   6           HA       LEU   6  -5.607   9.093   1.445
   37   1HB   LEU   6          HB2       LEU   6  -6.133  10.786   3.884
   38   2HB   LEU   6          HB1       LEU   6  -5.103   9.380   3.870
   39    HG   LEU   6           HG       LEU   6  -4.117  10.981   1.833
   40   1HD1  LEU   6          HD11      LEU   6  -4.247  13.148   2.394
   41   2HD1  LEU   6          HD12      LEU   6  -4.032  12.806   4.111
   42   3HD1  LEU   6          HD13      LEU   6  -5.628  12.657   3.375
   43   1HD2  LEU   6          HD21      LEU   6  -3.159  10.686   4.669
   44   2HD2  LEU   6          HD22      LEU   6  -2.190  11.212   3.294
   45   3HD2  LEU   6          HD23      LEU   6  -2.826   9.569   3.345
   46    H    THR   7           HN       THR   7  -6.918   7.300   1.220
   47    HA   THR   7           HA       THR   7  -9.260   6.945   2.745
   48    HB   THR   7           HB       THR   7  -8.454   4.370   2.266
   49    HG1  THR   7           HG1      THR   7  -6.639   4.996   1.091
   50   1HG2  THR   7          HG21      THR   7  -9.847   5.982   0.151
   51   2HG2  THR   7          HG22      THR   7 -10.618   5.624   1.697
   52   3HG2  THR   7          HG23      THR   7 -10.123   4.308   0.635
   53    H    GLU   8           HN       GLU   8  -9.582   5.366   4.424
   54    HA   GLU   8           HA       GLU   8  -8.202   5.745   6.707
   55   1HB   GLU   8          HB2       GLU   8  -9.132   2.965   6.075
   56   2HB   GLU   8          HB1       GLU   8  -9.135   3.808   7.618
   57   1HG   GLU   8          HG2       GLU   8 -10.820   5.385   6.608
   58   2HG   GLU   8          HG1       GLU   8 -10.938   4.247   5.268
   59    H    LEU   9           HN       LEU   9  -7.171   3.728   4.074
   60    HA   LEU   9           HA       LEU   9  -5.226   2.162   5.251
   61   1HB   LEU   9          HB2       LEU   9  -4.973   3.501   2.578
   62   2HB   LEU   9          HB1       LEU   9  -4.330   1.940   3.051
   63    HG   LEU   9           HG       LEU   9  -7.108   2.709   2.274
   64   1HD1  LEU   9          HD11      LEU   9  -6.753   0.275   1.286
   65   2HD1  LEU   9          HD12      LEU   9  -5.060   0.747   1.438
   66   3HD1  LEU   9          HD13      LEU   9  -6.167   1.725   0.476
   67   1HD2  LEU   9          HD21      LEU   9  -7.588   0.241   3.166
   68   2HD2  LEU   9          HD22      LEU   9  -7.863   1.687   4.133
   69   3HD2  LEU   9          HD23      LEU   9  -6.398   0.747   4.366
   70    H    GLU  10           HN       GLU  10  -5.212   5.586   4.620
   71    HA   GLU  10           HA       GLU  10  -2.508   6.148   4.502
   72   1HB   GLU  10          HB2       GLU  10  -3.191   8.320   5.719
   73   2HB   GLU  10          HB1       GLU  10  -3.859   7.979   4.129
   74   1HG   GLU  10          HG2       GLU  10  -5.920   8.019   4.902
   75   2HG   GLU  10          HG1       GLU  10  -5.528   6.875   6.182
   76    H    ALA  11           HN       ALA  11  -4.551   5.463   7.295
   77    HA   ALA  11           HA       ALA  11  -2.730   6.063   9.327
   78   1HB   ALA  11          HB1       ALA  11  -3.982   4.469  10.708
   79   2HB   ALA  11          HB2       ALA  11  -4.767   3.831   9.264
   80   3HB   ALA  11          HB3       ALA  11  -5.073   5.491   9.773
   81    H    ALA  12           HN       ALA  12  -2.988   3.388   7.127
   82    HA   ALA  12           HA       ALA  12  -1.086   1.701   8.413
   83   1HB   ALA  12          HB1       ALA  12  -2.841   0.952   6.770
   84   2HB   ALA  12          HB2       ALA  12  -1.219   0.334   6.468
   85   3HB   ALA  12          HB3       ALA  12  -1.848   1.664   5.498
   86    H    ILE  13           HN       ILE  13  -0.919   4.404   6.246
   87    HA   ILE  13           HA       ILE  13   1.513   4.075   5.016
   88    HB   ILE  13           HB       ILE  13  -0.220   6.066   4.948
   89   1HG1  ILE  13          HG12      ILE  13   1.695   5.638   3.411
   90   2HG1  ILE  13          HG11      ILE  13   1.361   7.349   3.664
   91   1HG2  ILE  13          HG21      ILE  13   0.486   6.765   7.317
   92   2HG2  ILE  13          HG22      ILE  13   0.292   8.018   6.092
   93   3HG2  ILE  13          HG23      ILE  13   1.906   7.454   6.529
   94   1HD1  ILE  13          HD11      ILE  13   3.689   7.143   3.734
   95   2HD1  ILE  13          HD12      ILE  13   3.616   5.703   4.747
   96   3HD1  ILE  13          HD13      ILE  13   3.194   7.276   5.422
   97    H    GLU  14           HN       GLU  14   0.756   4.875   8.310
   98    HA   GLU  14           HA       GLU  14   3.296   5.749   9.172
   99   1HB   GLU  14          HB2       GLU  14   1.065   4.476  10.763
  100   2HB   GLU  14          HB1       GLU  14   2.435   5.344  11.441
  101   1HG   GLU  14          HG2       GLU  14   0.289   6.498   9.674
  102   2HG   GLU  14          HG1       GLU  14   0.464   6.742  11.411
  103    H    THR  15           HN       THR  15   1.784   2.539   9.031
  104    HA   THR  15           HA       THR  15   3.887   1.251  10.490
  105    HB   THR  15           HB       THR  15   1.898   0.049   8.556
  106    HG1  THR  15           HG1      THR  15   0.994  -0.595  10.748
  107   1HG2  THR  15          HG21      THR  15   3.618  -1.536   8.819
  108   2HG2  THR  15          HG22      THR  15   2.381  -2.018   9.981
  109   3HG2  THR  15          HG23      THR  15   3.818  -1.158  10.531
  110    H    VAL  16           HN       VAL  16   3.023   1.322   7.061
  111    HA   VAL  16           HA       VAL  16   5.241  -0.046   6.052
  112    HB   VAL  16           HB       VAL  16   3.222   0.322   4.761
  113   1HG1  VAL  16          HG11      VAL  16   2.765   2.566   3.813
  114   2HG1  VAL  16          HG12      VAL  16   4.044   3.224   4.833
  115   3HG1  VAL  16          HG13      VAL  16   2.610   2.505   5.567
  116   1HG2  VAL  16          HG21      VAL  16   4.922  -0.121   3.274
  117   2HG2  VAL  16          HG22      VAL  16   5.829   1.324   3.689
  118   3HG2  VAL  16          HG23      VAL  16   4.387   1.445   2.685
  119    H    VAL  17           HN       VAL  17   4.769   3.364   6.801
  120    HA   VAL  17           HA       VAL  17   7.254   4.170   5.592
  121    HB   VAL  17           HB       VAL  17   5.220   5.646   5.839
  122   1HG1  VAL  17          HG11      VAL  17   4.758   6.763   7.873
  123   2HG1  VAL  17          HG12      VAL  17   6.204   6.111   8.641
  124   3HG1  VAL  17          HG13      VAL  17   4.854   5.047   8.260
  125   1HG2  VAL  17          HG21      VAL  17   6.695   7.656   6.594
  126   2HG2  VAL  17          HG22      VAL  17   7.067   6.783   5.109
  127   3HG2  VAL  17          HG23      VAL  17   7.989   6.456   6.577
  128    H    SER  18           HN       SER  18   6.078   3.456   8.840
  129    HA   SER  18           HA       SER  18   8.558   4.200  10.104
  130   1HB   SER  18          HB2       SER  18   6.132   2.766  11.207
  131   2HB   SER  18          HB1       SER  18   7.490   3.352  12.168
  132    HG   SER  18           HG       SER  18   5.369   4.691  11.589
  133    H    THR  19           HN       THR  19   7.544   1.486   8.404
  134    HA   THR  19           HA       THR  19   9.093  -0.394   9.956
  135    HB   THR  19           HB       THR  19   8.475  -1.946   7.942
  136    HG1  THR  19           HG1      THR  19   7.461   0.244   6.999
  137   1HG2  THR  19          HG21      THR  19   7.604  -2.189  10.207
  138   2HG2  THR  19          HG22      THR  19   6.329  -2.455   9.017
  139   3HG2  THR  19          HG23      THR  19   6.412  -0.927   9.896
  140    H    PHE  20           HN       PHE  20   9.174  -0.380   6.481
  141    HA   PHE  20           HA       PHE  20  12.003  -0.915   6.421
  142   1HB   PHE  20          HB2       PHE  20  10.963  -2.314   4.934
  143   2HB   PHE  20          HB1       PHE  20   9.652  -1.182   4.657
  144    HD1  PHE  20           HD1      PHE  20  13.345  -1.222   3.925
  145    HD2  PHE  20           HD2      PHE  20   9.378  -0.610   2.518
  146    HE1  PHE  20           HE1      PHE  20  14.212  -0.720   1.699
  147    HE2  PHE  20           HE2      PHE  20  10.246  -0.084   0.283
  148    HZ   PHE  20           HZ       PHE  20  12.669  -0.134  -0.129
  149    H    PHE  21           HN       PHE  21   9.790   1.575   5.478
  150    HA   PHE  21           HA       PHE  21  11.570   3.083   3.988
  151   1HB   PHE  21          HB2       PHE  21   9.143   3.920   5.578
  152   2HB   PHE  21          HB1       PHE  21   9.949   4.965   4.423
  153    HD1  PHE  21           HD1      PHE  21   7.327   4.857   3.723
  154    HD2  PHE  21           HD2      PHE  21  10.189   1.744   3.121
  155    HE1  PHE  21           HE1      PHE  21   5.888   3.876   2.002
  156    HE2  PHE  21           HE2      PHE  21   8.735   0.784   1.368
  157    HZ   PHE  21           HZ       PHE  21   6.599   1.848   0.812
  158    H    THR  22           HN       THR  22  11.421   2.433   7.334
  159    HA   THR  22           HA       THR  22  12.583   4.764   8.366
  160    HB   THR  22           HB       THR  22  13.478   3.380  10.160
  161    HG1  THR  22           HG1      THR  22  14.070   1.667   8.667
  162   1HG2  THR  22          HG21      THR  22  10.748   2.535   9.229
  163   2HG2  THR  22          HG22      THR  22  11.120   3.939  10.230
  164   3HG2  THR  22          HG23      THR  22  11.378   2.312  10.862
  165    H    PHE  23           HN       PHE  23  13.876   2.509   6.119
  166    HA   PHE  23           HA       PHE  23  16.615   2.854   6.862
  167   1HB   PHE  23          HB2       PHE  23  16.858   1.010   5.663
  168   2HB   PHE  23          HB1       PHE  23  15.151   1.081   5.287
  169    HD1  PHE  23           HD1      PHE  23  18.250   2.808   3.978
  170    HD2  PHE  23           HD2      PHE  23  14.711   0.584   3.189
  171    HE1  PHE  23           HE1      PHE  23  18.841   2.729   1.612
  172    HE2  PHE  23           HE2      PHE  23  15.298   0.514   0.819
  173    HZ   PHE  23           HZ       PHE  23  17.374   1.559   0.034
  174    H    ALA  24           HN       ALA  24  14.437   4.680   4.875
  175    HA   ALA  24           HA       ALA  24  16.162   5.983   3.138
  176   1HB   ALA  24          HB1       ALA  24  14.010   6.758   2.879
  177   2HB   ALA  24          HB2       ALA  24  14.706   8.091   3.793
  178   3HB   ALA  24          HB3       ALA  24  13.732   6.874   4.613
  179    H    GLY  25           HN       GLY  25  15.715   6.363   6.558
  180   1HA   GLY  25          HA2       GLY  25  17.104   8.552   7.292
  181   2HA   GLY  25          HA1       GLY  25  17.267   7.008   8.143
  182    H    ARG  26           HN       ARG  26  18.435   5.676   5.827
  183    HA   ARG  26           HA       ARG  26  21.117   5.846   6.270
  184   1HB   ARG  26          HB2       ARG  26  20.175   4.059   4.952
  185   2HB   ARG  26          HB1       ARG  26  19.656   5.187   3.700
  186   1HG   ARG  26          HG2       ARG  26  21.604   4.990   2.663
  187   2HG   ARG  26          HG1       ARG  26  22.480   5.444   4.125
  188   1HD   ARG  26          HD2       ARG  26  21.495   2.676   3.454
  189   2HD   ARG  26          HD1       ARG  26  23.158   3.236   3.293
  190    HE   ARG  26           HE       ARG  26  22.198   3.618   5.938
  191   1HH1  ARG  26          HH11      ARG  26  23.369   1.185   3.742
  192   2HH1  ARG  26          HH12      ARG  26  23.962   0.150   4.997
  193   1HH2  ARG  26          HH21      ARG  26  22.977   2.265   7.601
  194   2HH2  ARG  26          HH22      ARG  26  23.738   0.764   7.192
  195    H    GLU  27           HN       GLU  27  19.238   7.654   3.852
  196    HA   GLU  27           HA       GLU  27  21.573   9.216   3.115
  197   1HB   GLU  27          HB2       GLU  27  18.704   9.187   2.187
  198   2HB   GLU  27          HB1       GLU  27  19.832  10.434   1.667
  199   1HG   GLU  27          HG2       GLU  27  20.302   7.487   1.293
  200   2HG   GLU  27          HG1       GLU  27  19.552   8.526   0.082
  201    H    GLY  28           HN       GLY  28  22.188  10.917   4.236
  202   1HA   GLY  28          HA2       GLY  28  21.200  11.979   6.490
  203   2HA   GLY  28          HA1       GLY  28  22.058  12.961   5.319
  204    H    ARG  29           HN       ARG  29  20.714  13.926   3.574
  205    HA   ARG  29           HA       ARG  29  18.831  15.630   4.507
  206   1HB   ARG  29          HB2       ARG  29  19.707  15.969   2.318
  207   2HB   ARG  29          HB1       ARG  29  19.103  14.417   1.758
  208   1HG   ARG  29          HG2       ARG  29  16.806  15.246   1.940
  209   2HG   ARG  29          HG1       ARG  29  17.418  16.807   2.492
  210   1HD   ARG  29          HD2       ARG  29  18.197  15.571  -0.137
  211   2HD   ARG  29          HD1       ARG  29  16.795  16.625   0.046
  212    HE   ARG  29           HE       ARG  29  18.885  18.033   1.120
  213   1HH1  ARG  29          HH11      ARG  29  18.204  16.555  -1.958
  214   2HH1  ARG  29          HH12      ARG  29  19.145  17.695  -2.861
  215   1HH2  ARG  29          HH21      ARG  29  20.126  19.544  -0.058
  216   2HH2  ARG  29          HH22      ARG  29  20.237  19.395  -1.780
  217    H    LYS  30           HN       LYS  30  16.476  15.773   4.013
  218    HA   LYS  30           HA       LYS  30  15.175  13.243   4.731
  219   1HB   LYS  30          HB2       LYS  30  13.862  15.965   4.611
  220   2HB   LYS  30          HB1       LYS  30  13.341  14.542   5.504
  221   1HG   LYS  30          HG2       LYS  30  15.799  16.172   6.107
  222   2HG   LYS  30          HG1       LYS  30  14.265  16.258   6.975
  223   1HD   LYS  30          HD2       LYS  30  16.046  13.832   6.756
  224   2HD   LYS  30          HD1       LYS  30  15.879  14.871   8.172
  225   1HE   LYS  30          HE2       LYS  30  13.707  13.198   6.915
  226   2HE   LYS  30          HE1       LYS  30  14.548  12.851   8.426
  227   1HZ   LYS  30          HZ1       LYS  30  12.406  13.858   8.848
  228   2HZ   LYS  30          HZ2       LYS  30  12.809  15.201   7.902
  229   3HZ   LYS  30          HZ3       LYS  30  13.640  14.904   9.345
  230    H    GLY  31           HN       GLY  31  15.965  13.026   2.262
  231   1HA   GLY  31          HA2       GLY  31  13.818  13.922   0.468
  232   2HA   GLY  31          HA1       GLY  31  15.357  13.230  -0.028
  233    H    SER  32           HN       SER  32  15.568  10.983  -0.108
  234    HA   SER  32           HA       SER  32  13.182   9.493   0.671
  235   1HB   SER  32          HB2       SER  32  13.374   8.240  -1.561
  236   2HB   SER  32          HB1       SER  32  12.644   9.843  -1.585
  237    HG   SER  32           HG       SER  32  14.251   9.465  -3.241
  238    H    LEU  33           HN       LEU  33  13.567   7.113   0.155
  239    HA   LEU  33           HA       LEU  33  16.118   6.422   1.299
  240   1HB   LEU  33          HB2       LEU  33  14.940   4.809   2.325
  241   2HB   LEU  33          HB1       LEU  33  13.533   5.362   1.496
  242    HG   LEU  33           HG       LEU  33  15.388   3.173   0.590
  243   1HD1  LEU  33          HD11      LEU  33  13.680   1.629   1.160
  244   2HD1  LEU  33          HD12      LEU  33  12.526   2.906   1.465
  245   3HD1  LEU  33          HD13      LEU  33  13.888   2.692   2.549
  246   1HD2  LEU  33          HD21      LEU  33  12.923   3.077  -0.795
  247   2HD2  LEU  33          HD22      LEU  33  14.544   3.310  -1.451
  248   3HD2  LEU  33          HD23      LEU  33  13.579   4.704  -0.965
  249    H    ASN  34           HN       ASN  34  17.403   4.692   0.312
  250    HA   ASN  34           HA       ASN  34  17.012   4.856  -2.598
  251   1HB   ASN  34          HB2       ASN  34  19.495   4.713  -2.775
  252   2HB   ASN  34          HB1       ASN  34  18.946   6.113  -1.855
  253   1HD2  ASN  34          HD21      ASN  34  19.223   6.166   0.375
  254   2HD2  ASN  34          HD22      ASN  34  20.364   5.141   1.171
  255    H    ILE  35           HN       ILE  35  19.538   2.770  -2.144
  256    HA   ILE  35           HA       ILE  35  17.853   0.532  -1.584
  257    HB   ILE  35           HB       ILE  35  18.909  -0.679  -3.567
  258   1HG1  ILE  35          HG12      ILE  35  20.531   1.175  -4.070
  259   2HG1  ILE  35          HG11      ILE  35  19.567   0.666  -5.451
  260   1HG2  ILE  35          HG21      ILE  35  16.535   0.636  -3.163
  261   2HG2  ILE  35          HG22      ILE  35  16.882  -0.486  -4.475
  262   3HG2  ILE  35          HG23      ILE  35  17.068   1.248  -4.728
  263   1HD1  ILE  35          HD11      ILE  35  19.308   2.879  -5.723
  264   2HD1  ILE  35          HD12      ILE  35  19.634   3.232  -4.026
  265   3HD1  ILE  35          HD13      ILE  35  18.037   2.670  -4.516
  266    H    ASN  36           HN       ASN  36  20.000   1.817  -0.189
  267    HA   ASN  36           HA       ASN  36  22.213  -0.034  -0.274
  268   1HB   ASN  36          HB2       ASN  36  21.514   2.234   1.585
  269   2HB   ASN  36          HB1       ASN  36  22.992   1.288   1.723
  270   1HD2  ASN  36          HD21      ASN  36  23.584   1.046  -1.025
  271   2HD2  ASN  36          HD22      ASN  36  24.019   2.605  -1.622
  272    H    GLU  37           HN       GLU  37  19.986   0.990   2.324
  273    HA   GLU  37           HA       GLU  37  20.418  -1.508   3.650
  274   1HB   GLU  37          HB2       GLU  37  18.112   0.219   4.340
  275   2HB   GLU  37          HB1       GLU  37  19.115  -0.756   5.382
  276   1HG   GLU  37          HG2       GLU  37  20.983   0.774   4.918
  277   2HG   GLU  37          HG1       GLU  37  19.857   1.841   4.077
  278    H    PHE  38           HN       PHE  38  18.360  -0.429   1.099
  279    HA   PHE  38           HA       PHE  38  16.200  -2.152   1.407
  280   1HB   PHE  38          HB2       PHE  38  16.508  -0.354  -0.400
  281   2HB   PHE  38          HB1       PHE  38  17.548  -1.506  -1.235
  282    HD1  PHE  38           HD1      PHE  38  16.373  -3.927  -1.468
  283    HD2  PHE  38           HD2      PHE  38  14.381  -0.197  -1.104
  284    HE1  PHE  38           HE1      PHE  38  14.384  -4.896  -2.547
  285    HE2  PHE  38           HE2      PHE  38  12.383  -1.149  -2.185
  286    HZ   PHE  38           HZ       PHE  38  12.383  -3.505  -2.907
  287    H    LYS  39           HN       LYS  39  19.532  -2.582   0.579
  288    HA   LYS  39           HA       LYS  39  19.471  -5.120  -0.512
  289   1HB   LYS  39          HB2       LYS  39  21.687  -4.014   1.169
  290   2HB   LYS  39          HB1       LYS  39  21.814  -5.225  -0.099
  291   1HG   LYS  39          HG2       LYS  39  20.591  -2.842  -1.068
  292   2HG   LYS  39          HG1       LYS  39  22.175  -2.499  -0.369
  293   1HD   LYS  39          HD2       LYS  39  21.629  -4.633  -2.422
  294   2HD   LYS  39          HD1       LYS  39  22.229  -3.019  -2.781
  295   1HE   LYS  39          HE2       LYS  39  24.206  -3.437  -1.415
  296   2HE   LYS  39          HE1       LYS  39  23.597  -5.042  -1.016
  297   1HZ   LYS  39          HZ1       LYS  39  23.724  -5.626  -3.363
  298   2HZ   LYS  39          HZ2       LYS  39  25.237  -5.149  -2.777
  299   3HZ   LYS  39          HZ3       LYS  39  24.329  -4.089  -3.734
  300    H    GLU  40           HN       GLU  40  18.855  -4.082   2.535
  301    HA   GLU  40           HA       GLU  40  19.411  -6.535   3.919
  302   1HB   GLU  40          HB2       GLU  40  17.752  -4.192   4.865
  303   2HB   GLU  40          HB1       GLU  40  18.545  -5.414   5.858
  304   1HG   GLU  40          HG2       GLU  40  19.951  -3.455   4.084
  305   2HG   GLU  40          HG1       GLU  40  19.719  -3.242   5.824
  306    H    LEU  41           HN       LEU  41  16.978  -5.326   1.905
  307    HA   LEU  41           HA       LEU  41  14.739  -6.656   3.038
  308   1HB   LEU  41          HB2       LEU  41  15.147  -5.747   0.187
  309   2HB   LEU  41          HB1       LEU  41  13.621  -6.236   0.889
  310    HG   LEU  41           HG       LEU  41  15.120  -3.698   1.152
  311   1HD1  LEU  41          HD11      LEU  41  13.129  -2.739   0.599
  312   2HD1  LEU  41          HD12      LEU  41  12.176  -4.018   1.347
  313   3HD1  LEU  41          HD13      LEU  41  12.970  -4.299  -0.204
  314   1HD2  LEU  41          HD21      LEU  41  13.336  -4.761   3.338
  315   2HD2  LEU  41          HD22      LEU  41  13.912  -3.100   3.207
  316   3HD2  LEU  41          HD23      LEU  41  15.060  -4.412   3.472
  317    H    ALA  42           HN       ALA  42  15.510  -7.472  -0.322
  318    HA   ALA  42           HA       ALA  42  14.661  -9.987  -0.344
  319   1HB   ALA  42          HB1       ALA  42  16.268 -10.500  -2.080
  320   2HB   ALA  42          HB2       ALA  42  17.134  -9.027  -1.668
  321   3HB   ALA  42          HB3       ALA  42  15.493  -8.933  -2.290
  322    H    THR  43           HN       THR  43  17.641  -8.957   1.157
  323    HA   THR  43           HA       THR  43  18.873 -11.436   1.446
  324    HB   THR  43           HB       THR  43  19.835 -10.151   3.546
  325    HG1  THR  43           HG1      THR  43  18.983  -7.914   2.050
  326   1HG2  THR  43          HG21      THR  43  20.294  -9.307   0.691
  327   2HG2  THR  43          HG22      THR  43  21.133 -10.597   1.551
  328   3HG2  THR  43          HG23      THR  43  21.366  -8.917   2.034
  329    H    GLN  44           HN       GLN  44  17.087  -9.619   3.973
  330    HA   GLN  44           HA       GLN  44  16.711 -11.972   5.536
  331   1HB   GLN  44          HB2       GLN  44  15.793  -9.121   5.808
  332   2HB   GLN  44          HB1       GLN  44  15.262 -10.367   6.926
  333   1HG   GLN  44          HG2       GLN  44  18.089  -9.458   6.443
  334   2HG   GLN  44          HG1       GLN  44  17.104  -9.138   7.869
  335   1HE2  GLN  44          HE21      GLN  44  15.979 -11.831   7.927
  336   2HE2  GLN  44          HE22      GLN  44  17.237 -12.864   8.500
  337    H    GLN  45           HN       GLN  45  14.963 -10.098   3.259
  338    HA   GLN  45           HA       GLN  45  12.375 -11.108   3.673
  339   1HB   GLN  45          HB2       GLN  45  13.823  -9.875   1.344
  340   2HB   GLN  45          HB1       GLN  45  12.132 -10.330   1.262
  341   1HG   GLN  45          HG2       GLN  45  12.761  -8.734   3.592
  342   2HG   GLN  45          HG1       GLN  45  13.105  -7.916   2.068
  343   1HE2  GLN  45          HE21      GLN  45  11.415  -7.739   0.523
  344   2HE2  GLN  45          HE22      GLN  45   9.759  -7.743   1.028
  345    H    LEU  46           HN       LEU  46  15.181 -12.129   1.866
  346    HA   LEU  46           HA       LEU  46  14.314 -14.038   0.172
  347   1HB   LEU  46          HB2       LEU  46  16.745 -13.657   1.734
  348   2HB   LEU  46          HB1       LEU  46  16.410 -15.351   1.468
  349    HG   LEU  46           HG       LEU  46  17.103 -13.226  -0.522
  350   1HD1  LEU  46          HD11      LEU  46  18.054 -16.042  -0.059
  351   2HD1  LEU  46          HD12      LEU  46  18.885 -14.563   0.422
  352   3HD1  LEU  46          HD13      LEU  46  18.666 -14.935  -1.288
  353   1HD2  LEU  46          HD21      LEU  46  15.556 -15.749  -1.055
  354   2HD2  LEU  46          HD22      LEU  46  16.534 -14.957  -2.289
  355   3HD2  LEU  46          HD23      LEU  46  15.176 -14.103  -1.561
  356    HA   PRO  47           HA       PRO  47  13.500 -17.246   3.464
  357   1HB   PRO  47          HB2       PRO  47  14.283 -16.956   6.012
  358   2HB   PRO  47          HB1       PRO  47  15.408 -17.524   4.772
  359   1HG   PRO  47          HG2       PRO  47  15.129 -14.799   5.973
  360   2HG   PRO  47          HG1       PRO  47  16.601 -15.699   5.568
  361   1HD   PRO  47          HD2       PRO  47  15.514 -13.723   3.981
  362   2HD   PRO  47          HD1       PRO  47  16.539 -15.040   3.381
  363    H    HIS  48           HN       HIS  48  11.525 -16.213   3.029
  364    HA   HIS  48           HA       HIS  48  10.311 -14.616   5.136
  365   1HB   HIS  48          HB2       HIS  48   9.971 -14.832   2.289
  366   2HB   HIS  48          HB1       HIS  48   8.429 -15.144   3.082
  367    HD1  HIS  48           HD1      HIS  48   7.962 -13.227   5.090
  368    HD2  HIS  48           HD2      HIS  48  10.314 -12.203   1.823
  369    HE1  HIS  48           HE1      HIS  48   7.937 -10.716   5.007
  370    HE2  HIS  48           HE2      HIS  48   9.362 -10.116   3.017
  371    H    LEU  49           HN       LEU  49   7.686 -15.394   4.918
  372    HA   LEU  49           HA       LEU  49   7.701 -17.978   6.218
  373   1HB   LEU  49          HB2       LEU  49   5.483 -16.049   5.485
  374   2HB   LEU  49          HB1       LEU  49   5.174 -17.612   6.217
  375    HG   LEU  49           HG       LEU  49   6.765 -15.370   7.467
  376   1HD1  LEU  49          HD11      LEU  49   4.890 -15.176   9.005
  377   2HD1  LEU  49          HD12      LEU  49   4.023 -16.437   8.126
  378   3HD1  LEU  49          HD13      LEU  49   4.369 -14.894   7.344
  379   1HD2  LEU  49          HD21      LEU  49   7.576 -17.568   8.146
  380   2HD2  LEU  49          HD22      LEU  49   5.934 -18.048   8.578
  381   3HD2  LEU  49          HD23      LEU  49   6.741 -16.762   9.474
  382    H    LEU  50           HN       LEU  50   5.380 -16.919   3.773
  383    HA   LEU  50           HA       LEU  50   5.790 -19.352   2.245
  384   1HB   LEU  50          HB2       LEU  50   3.890 -18.650   0.933
  385   2HB   LEU  50          HB1       LEU  50   3.505 -18.482   2.635
  386    HG   LEU  50           HG       LEU  50   4.569 -16.036   1.410
  387   1HD1  LEU  50          HD11      LEU  50   3.393 -16.346  -0.506
  388   2HD1  LEU  50          HD12      LEU  50   2.080 -15.737   0.503
  389   3HD1  LEU  50          HD13      LEU  50   2.259 -17.470   0.240
  390   1HD2  LEU  50          HD21      LEU  50   2.038 -16.587   2.955
  391   2HD2  LEU  50          HD22      LEU  50   2.796 -15.018   2.677
  392   3HD2  LEU  50          HD23      LEU  50   3.596 -16.216   3.690
  393    H    LYS  51           HN       LYS  51   8.102 -18.073   2.187
  394    HA   LYS  51           HA       LYS  51   8.758 -15.982   0.670
  395   1HB   LYS  51          HB2       LYS  51  10.425 -17.259   1.816
  396   2HB   LYS  51          HB1       LYS  51  10.136 -18.658   0.794
  397   1HG   LYS  51          HG2       LYS  51  10.904 -17.225  -1.143
  398   2HG   LYS  51          HG1       LYS  51  11.462 -16.053   0.052
  399   1HD   LYS  51          HD2       LYS  51  12.507 -18.761  -0.654
  400   2HD   LYS  51          HD1       LYS  51  13.384 -17.273  -0.310
  401   1HE   LYS  51          HE2       LYS  51  12.366 -17.688   2.099
  402   2HE   LYS  51          HE1       LYS  51  12.353 -19.356   1.541
  403   1HZ   LYS  51          HZ1       LYS  51  14.715 -19.186   1.073
  404   2HZ   LYS  51          HZ2       LYS  51  14.409 -18.824   2.696
  405   3HZ   LYS  51          HZ3       LYS  51  14.733 -17.578   1.599
  406    H    ASP  52           HN       ASP  52   9.425 -15.574  -1.387
  407    HA   ASP  52           HA       ASP  52   8.146 -17.180  -3.493
  408   1HB   ASP  52          HB2       ASP  52   8.882 -14.247  -3.381
  409   2HB   ASP  52          HB1       ASP  52   8.391 -15.057  -4.866
  410    H    VAL  53           HN       VAL  53  11.110 -15.784  -2.350
  411    HA   VAL  53           HA       VAL  53  13.221 -16.583  -2.696
  412    HB   VAL  53           HB       VAL  53  12.111 -18.454  -4.098
  413   1HG1  VAL  53          HG11      VAL  53  11.971 -16.757  -6.122
  414   2HG1  VAL  53          HG12      VAL  53  12.276 -18.474  -6.375
  415   3HG1  VAL  53          HG13      VAL  53  13.616 -17.329  -6.396
  416   1HG2  VAL  53          HG21      VAL  53  14.987 -17.641  -4.389
  417   2HG2  VAL  53          HG22      VAL  53  14.354 -19.247  -4.750
  418   3HG2  VAL  53          HG23      VAL  53  14.282 -18.621  -3.103
  419    H    GLY  54           HN       GLY  54  13.530 -14.380  -2.533
  420   1HA   GLY  54          HA2       GLY  54  13.488 -12.478  -4.538
  421   2HA   GLY  54          HA1       GLY  54  14.633 -12.469  -3.204
  422    H    SER  55           HN       SER  55  14.126 -13.268  -6.543
  423    HA   SER  55           HA       SER  55  16.352 -14.741  -7.191
  424   1HB   SER  55          HB2       SER  55  14.512 -14.084  -8.752
  425   2HB   SER  55          HB1       SER  55  15.235 -12.480  -8.863
  426    HG   SER  55           HG       SER  55  17.210 -13.731  -9.498
  427    H    LEU  56           HN       LEU  56  18.481 -14.406  -7.355
  428    HA   LEU  56           HA       LEU  56  19.830 -12.452  -6.028
  429   1HB   LEU  56          HB2       LEU  56  20.751 -14.579  -7.019
  430   2HB   LEU  56          HB1       LEU  56  20.873 -13.728  -8.546
  431    HG   LEU  56           HG       LEU  56  23.021 -13.841  -7.333
  432   1HD1  LEU  56          HD11      LEU  56  22.077 -10.991  -7.409
  433   2HD1  LEU  56          HD12      LEU  56  22.357 -11.933  -8.872
  434   3HD1  LEU  56          HD13      LEU  56  23.684 -11.627  -7.753
  435   1HD2  LEU  56          HD21      LEU  56  23.332 -12.491  -5.313
  436   2HD2  LEU  56          HD22      LEU  56  22.165 -13.789  -5.056
  437   3HD2  LEU  56          HD23      LEU  56  21.605 -12.133  -5.289
  438    H    ASP  57           HN       ASP  57  19.816 -12.480  -9.588
  439    HA   ASP  57           HA       ASP  57  20.818  -9.975 -10.031
  440   1HB   ASP  57          HB2       ASP  57  19.331 -10.007 -12.129
  441   2HB   ASP  57          HB1       ASP  57  20.547 -11.273 -11.953
  442    H    GLU  58           HN       GLU  58  17.419 -10.849  -9.615
  443    HA   GLU  58           HA       GLU  58  16.194  -8.429 -10.052
  444   1HB   GLU  58          HB2       GLU  58  15.576 -10.696  -8.182
  445   2HB   GLU  58          HB1       GLU  58  14.583  -9.246  -8.165
  446   1HG   GLU  58          HG2       GLU  58  15.114 -10.861 -10.638
  447   2HG   GLU  58          HG1       GLU  58  13.730 -11.124  -9.579
  448    H    LYS  59           HN       LYS  59  17.788  -9.630  -7.160
  449    HA   LYS  59           HA       LYS  59  17.184  -7.439  -5.542
  450   1HB   LYS  59          HB2       LYS  59  19.559  -9.294  -5.377
  451   2HB   LYS  59          HB1       LYS  59  18.988  -8.246  -4.084
  452   1HG   LYS  59          HG2       LYS  59  17.076  -9.519  -3.728
  453   2HG   LYS  59          HG1       LYS  59  17.174 -10.283  -5.302
  454   1HD   LYS  59          HD2       LYS  59  17.789 -11.880  -3.610
  455   2HD   LYS  59          HD1       LYS  59  19.210 -11.465  -4.560
  456   1HE   LYS  59          HE2       LYS  59  19.884  -9.876  -2.796
  457   2HE   LYS  59          HE1       LYS  59  18.504 -10.406  -1.834
  458   1HZ   LYS  59          HZ1       LYS  59  20.546 -11.532  -1.181
  459   2HZ   LYS  59          HZ2       LYS  59  20.732 -12.146  -2.746
  460   3HZ   LYS  59          HZ3       LYS  59  19.419 -12.634  -1.798
  461    H    MET  60           HN       MET  60  19.636  -7.990  -7.929
  462    HA   MET  60           HA       MET  60  21.138  -5.665  -7.216
  463   1HB   MET  60          HB2       MET  60  21.332  -7.587  -9.526
  464   2HB   MET  60          HB1       MET  60  22.391  -6.193  -9.352
  465   1HG   MET  60          HG2       MET  60  22.107  -8.325  -7.254
  466   2HG   MET  60          HG1       MET  60  23.321  -8.371  -8.535
  467   1HE   MET  60          HE1       MET  60  25.352  -6.618  -8.721
  468   2HE   MET  60          HE2       MET  60  25.422  -5.153  -7.742
  469   3HE   MET  60          HE3       MET  60  24.103  -5.385  -8.889
  470    H    LYS  61           HN       LYS  61  18.814  -6.560  -9.716
  471    HA   LYS  61           HA       LYS  61  19.023  -4.023 -11.080
  472   1HB   LYS  61          HB2       LYS  61  16.570  -5.554 -11.562
  473   2HB   LYS  61          HB1       LYS  61  17.752  -4.937 -12.708
  474   1HG   LYS  61          HG2       LYS  61  19.220  -6.892 -11.994
  475   2HG   LYS  61          HG1       LYS  61  17.770  -7.529 -11.214
  476   1HD   LYS  61          HD2       LYS  61  18.000  -8.494 -13.419
  477   2HD   LYS  61          HD1       LYS  61  16.589  -7.435 -13.371
  478   1HE   LYS  61          HE2       LYS  61  17.923  -7.168 -15.431
  479   2HE   LYS  61          HE1       LYS  61  17.813  -5.683 -14.491
  480   1HZ   LYS  61          HZ1       LYS  61  20.057  -6.047 -15.290
  481   2HZ   LYS  61          HZ2       LYS  61  20.123  -7.550 -14.518
  482   3HZ   LYS  61          HZ3       LYS  61  20.020  -6.134 -13.600
  483    H    THR  62           HN       THR  62  16.531  -5.654  -9.167
  484    HA   THR  62           HA       THR  62  14.645  -3.684  -9.057
  485    HB   THR  62           HB       THR  62  15.434  -5.498  -6.773
  486    HG1  THR  62           HG1      THR  62  14.686  -6.267  -9.065
  487   1HG2  THR  62          HG21      THR  62  13.990  -3.776  -5.949
  488   2HG2  THR  62          HG22      THR  62  13.021  -5.237  -6.145
  489   3HG2  THR  62          HG23      THR  62  12.913  -3.941  -7.335
  490    H    LEU  63           HN       LEU  63  17.752  -3.775  -7.535
  491    HA   LEU  63           HA       LEU  63  17.539  -2.000  -5.462
  492   1HB   LEU  63          HB2       LEU  63  19.624  -3.031  -7.109
  493   2HB   LEU  63          HB1       LEU  63  19.870  -1.307  -6.949
  494    HG   LEU  63           HG       LEU  63  19.319  -2.363  -4.358
  495   1HD1  LEU  63          HD11      LEU  63  20.150  -4.427  -4.483
  496   2HD1  LEU  63          HD12      LEU  63  21.725  -3.648  -4.619
  497   3HD1  LEU  63          HD13      LEU  63  20.856  -4.138  -6.071
  498   1HD2  LEU  63          HD21      LEU  63  20.841  -0.814  -3.901
  499   2HD2  LEU  63          HD22      LEU  63  21.062  -0.558  -5.630
  500   3HD2  LEU  63          HD23      LEU  63  22.074  -1.720  -4.774
  501    H    ASP  64           HN       ASP  64  18.894  -0.842  -8.541
  502    HA   ASP  64           HA       ASP  64  18.303   1.828  -8.142
  503   1HB   ASP  64          HB2       ASP  64  18.477   0.354 -10.777
  504   2HB   ASP  64          HB1       ASP  64  18.546   2.104 -10.580
  505    H    VAL  65           HN       VAL  65  16.292  -0.734  -9.470
  506    HA   VAL  65           HA       VAL  65  14.231   0.790 -10.555
  507    HB   VAL  65           HB       VAL  65  14.026  -1.885  -9.139
  508   1HG1  VAL  65          HG11      VAL  65  11.933  -2.178 -10.373
  509   2HG1  VAL  65          HG12      VAL  65  12.078  -0.543 -11.017
  510   3HG1  VAL  65          HG13      VAL  65  11.844  -0.791  -9.287
  511   1HG2  VAL  65          HG21      VAL  65  14.136  -2.841 -11.365
  512   2HG2  VAL  65          HG22      VAL  65  15.561  -1.847 -11.063
  513   3HG2  VAL  65          HG23      VAL  65  14.256  -1.232 -12.077
  514    H    ASN  66           HN       ASN  66  14.264  -0.711  -7.320
  515    HA   ASN  66           HA       ASN  66  12.164   1.038  -6.395
  516   1HB   ASN  66          HB2       ASN  66  13.810  -1.070  -5.008
  517   2HB   ASN  66          HB1       ASN  66  12.570  -0.121  -4.204
  518   1HD2  ASN  66          HD21      ASN  66  10.670  -0.088  -6.324
  519   2HD2  ASN  66          HD22      ASN  66  10.061  -1.690  -6.509
  520    H    GLN  67           HN       GLN  67  14.487   2.541  -7.136
  521    HA   GLN  67           HA       GLN  67  16.196   3.091  -4.975
  522   1HB   GLN  67          HB2       GLN  67  16.805   3.907  -7.137
  523   2HB   GLN  67          HB1       GLN  67  15.270   4.740  -7.340
  524   1HG   GLN  67          HG2       GLN  67  16.889   5.503  -5.080
  525   2HG   GLN  67          HG1       GLN  67  17.583   5.920  -6.628
  526   1HE2  GLN  67          HE21      GLN  67  15.264   6.610  -4.219
  527   2HE2  GLN  67          HE22      GLN  67  14.450   7.914  -4.990
  528    H    ASP  68           HN       ASP  68  13.633   4.949  -6.311
  529    HA   ASP  68           HA       ASP  68  13.204   6.550  -3.974
  530   1HB   ASP  68          HB2       ASP  68  11.282   6.436  -6.257
  531   2HB   ASP  68          HB1       ASP  68  11.729   7.813  -5.270
  532    H    SER  69           HN       SER  69  12.451   3.447  -4.125
  533    HA   SER  69           HA       SER  69   9.715   3.122  -4.126
  534   1HB   SER  69          HB2       SER  69  11.973   1.673  -2.860
  535   2HB   SER  69          HB1       SER  69  10.361   1.342  -2.224
  536    HG   SER  69           HG       SER  69  10.799   1.344  -5.001
  537    H    GLU  70           HN       GLU  70  11.801   4.489  -1.735
  538    HA   GLU  70           HA       GLU  70   9.406   5.020  -0.090
  539   1HB   GLU  70          HB2       GLU  70  10.777   3.965   1.444
  540   2HB   GLU  70          HB1       GLU  70  12.218   4.589   0.681
  541   1HG   GLU  70          HG2       GLU  70  11.879   6.766   1.587
  542   2HG   GLU  70          HG1       GLU  70  10.303   6.301   2.227
  543    H    LEU  71           HN       LEU  71   9.247   7.119   0.844
  544    HA   LEU  71           HA       LEU  71  11.030   9.072  -0.278
  545   1HB   LEU  71          HB2       LEU  71   9.314   8.874  -1.808
  546   2HB   LEU  71          HB1       LEU  71   8.078   8.867  -0.573
  547    HG   LEU  71           HG       LEU  71   8.310  10.867  -1.884
  548   1HD1  LEU  71          HD11      LEU  71   7.165  11.801  -0.307
  549   2HD1  LEU  71          HD12      LEU  71   8.666  12.232   0.476
  550   3HD1  LEU  71          HD13      LEU  71   7.888  10.711   0.863
  551   1HD2  LEU  71          HD21      LEU  71  10.522  11.083  -2.316
  552   2HD2  LEU  71          HD22      LEU  71  10.935  10.961  -0.646
  553   3HD2  LEU  71          HD23      LEU  71  10.169  12.392  -1.247
  554    H    ARG  72           HN       ARG  72  11.447  10.776   0.939
  555    HA   ARG  72           HA       ARG  72   9.901  11.301   3.373
  556   1HB   ARG  72          HB2       ARG  72  12.588  12.502   2.878
  557   2HB   ARG  72          HB1       ARG  72  11.838  12.068   4.403
  558   1HG   ARG  72          HG2       ARG  72  13.157  10.272   2.405
  559   2HG   ARG  72          HG1       ARG  72  13.661  10.606   4.063
  560   1HD   ARG  72          HD2       ARG  72  11.511   8.850   3.032
  561   2HD   ARG  72          HD1       ARG  72  12.660   8.578   4.333
  562    HE   ARG  72           HE       ARG  72  11.122  10.514   5.361
  563   1HH1  ARG  72          HH11      ARG  72  10.332   7.511   3.787
  564   2HH1  ARG  72          HH12      ARG  72   8.865   7.285   4.673
  565   1HH2  ARG  72          HH21      ARG  72   9.188  10.227   6.532
  566   2HH2  ARG  72          HH22      ARG  72   8.209   8.831   6.231
  567    H    PHE  73           HN       PHE  73  11.173  12.560   0.374
  568    HA   PHE  73           HA       PHE  73   9.990  15.155   0.803
  569   1HB   PHE  73          HB2       PHE  73  11.327  15.996  -0.966
  570   2HB   PHE  73          HB1       PHE  73  12.315  14.943   0.004
  571    HD1  PHE  73           HD1      PHE  73  11.742  15.983  -3.190
  572    HD2  PHE  73           HD2      PHE  73  12.373  12.383  -1.034
  573    HE1  PHE  73           HE1      PHE  73  12.540  14.876  -5.234
  574    HE2  PHE  73           HE2      PHE  73  13.141  11.268  -3.028
  575    HZ   PHE  73           HZ       PHE  73  13.249  12.518  -5.165
  576    H    SER  74           HN       SER  74   9.908  14.056  -2.623
  577    HA   SER  74           HA       SER  74   6.991  14.159  -2.373
  578   1HB   SER  74          HB2       SER  74   7.205  14.808  -4.916
  579   2HB   SER  74          HB1       SER  74   7.317  16.033  -3.652
  580    HG   SER  74           HG       SER  74   9.134  16.432  -4.689
  581    H    GLU  75           HN       GLU  75   9.510  12.233  -3.347
  582    HA   GLU  75           HA       GLU  75   8.240  10.763  -5.375
  583   1HB   GLU  75          HB2       GLU  75  10.321   9.793  -3.431
  584   2HB   GLU  75          HB1       GLU  75   9.945   9.065  -4.984
  585   1HG   GLU  75          HG2       GLU  75  10.816  11.912  -4.831
  586   2HG   GLU  75          HG1       GLU  75  12.004  10.613  -4.749
  587    H    TYR  76           HN       TYR  76   6.631  11.047  -2.689
  588    HA   TYR  76           HA       TYR  76   6.394   8.539  -1.552
  589   1HB   TYR  76          HB2       TYR  76   4.803  11.029  -1.487
  590   2HB   TYR  76          HB1       TYR  76   3.891   9.558  -1.151
  591    HD1  TYR  76           HD1      TYR  76   4.566  11.957   0.708
  592    HD2  TYR  76           HD2      TYR  76   6.305   8.125   0.174
  593    HE1  TYR  76           HE1      TYR  76   5.488  12.036   2.983
  594    HE2  TYR  76           HE2      TYR  76   7.219   8.186   2.378
  595    HH   TYR  76           HH       TYR  76   7.820   9.832   4.111
  596    H    TRP  77           HN       TRP  77   5.267   9.783  -4.499
  597    HA   TRP  77           HA       TRP  77   3.173   7.979  -4.993
  598   1HB   TRP  77          HB2       TRP  77   3.595   8.359  -7.365
  599   2HB   TRP  77          HB1       TRP  77   3.749   9.885  -6.494
  600    HD1  TRP  77           HD1      TRP  77   6.105   7.054  -7.697
  601    HE1  TRP  77           HE1      TRP  77   8.311   8.128  -8.424
  602    HE3  TRP  77           HE3      TRP  77   5.046  11.909  -6.577
  603    HZ2  TRP  77           HZ2      TRP  77   9.464  10.715  -8.531
  604    HZ3  TRP  77           HZ3      TRP  77   6.741  13.625  -7.004
  605    HH2  TRP  77           HH2      TRP  77   8.910  13.043  -7.968
  606    H    ARG  78           HN       ARG  78   6.523   7.400  -4.443
  607    HA   ARG  78           HA       ARG  78   6.716   5.065  -6.070
  608   1HB   ARG  78          HB2       ARG  78   8.450   6.161  -3.865
  609   2HB   ARG  78          HB1       ARG  78   8.899   4.835  -4.941
  610   1HG   ARG  78          HG2       ARG  78   8.103   7.524  -5.976
  611   2HG   ARG  78          HG1       ARG  78   9.750   7.172  -5.483
  612   1HD   ARG  78          HD2       ARG  78   8.140   5.853  -7.659
  613   2HD   ARG  78          HD1       ARG  78   9.612   6.806  -7.840
  614    HE   ARG  78           HE       ARG  78  10.318   4.690  -6.243
  615   1HH1  ARG  78          HH11      ARG  78   8.951   5.080  -9.419
  616   2HH1  ARG  78          HH12      ARG  78   9.657   3.628 -10.043
  617   1HH2  ARG  78          HH21      ARG  78  11.256   2.775  -7.052
  618   2HH2  ARG  78          HH22      ARG  78  10.969   2.315  -8.697
  619    H    LEU  79           HN       LEU  79   6.140   5.739  -2.582
  620    HA   LEU  79           HA       LEU  79   6.188   3.101  -1.711
  621   1HB   LEU  79          HB2       LEU  79   3.960   4.629  -0.579
  622   2HB   LEU  79          HB1       LEU  79   5.270   3.800   0.215
  623    HG   LEU  79           HG       LEU  79   5.349   6.577  -0.948
  624   1HD1  LEU  79          HD11      LEU  79   4.769   5.421   1.684
  625   2HD1  LEU  79          HD12      LEU  79   4.395   7.021   1.039
  626   3HD1  LEU  79          HD13      LEU  79   5.993   6.690   1.710
  627   1HD2  LEU  79          HD21      LEU  79   7.592   6.708  -0.054
  628   2HD2  LEU  79          HD22      LEU  79   7.486   5.391  -1.219
  629   3HD2  LEU  79          HD23      LEU  79   7.496   5.042   0.509
  630    H    ILE  80           HN       ILE  80   4.009   4.750  -3.776
  631    HA   ILE  80           HA       ILE  80   1.678   3.505  -3.476
  632    HB   ILE  80           HB       ILE  80   2.542   5.291  -5.204
  633   1HG1  ILE  80          HG12      ILE  80   0.230   3.437  -5.825
  634   2HG1  ILE  80          HG11      ILE  80   0.181   4.796  -4.706
  635   1HG2  ILE  80          HG21      ILE  80   3.876   3.838  -6.556
  636   2HG2  ILE  80          HG22      ILE  80   2.517   4.439  -7.501
  637   3HG2  ILE  80          HG23      ILE  80   2.493   2.793  -6.872
  638   1HD1  ILE  80          HD11      ILE  80  -0.833   5.338  -6.858
  639   2HD1  ILE  80          HD12      ILE  80   0.695   4.988  -7.665
  640   3HD1  ILE  80          HD13      ILE  80   0.584   6.338  -6.535
  641    H    GLY  81           HN       GLY  81   4.280   2.252  -5.561
  642   1HA   GLY  81          HA2       GLY  81   2.917  -0.291  -5.825
  643   2HA   GLY  81          HA1       GLY  81   4.473   0.137  -6.516
  644    H    GLU  82           HN       GLU  82   4.627   1.063  -3.372
  645    HA   GLU  82           HA       GLU  82   6.292  -1.200  -2.708
  646   1HB   GLU  82          HB2       GLU  82   5.661   1.327  -1.237
  647   2HB   GLU  82          HB1       GLU  82   6.757   0.098  -0.629
  648   1HG   GLU  82          HG2       GLU  82   7.112   1.881  -3.004
  649   2HG   GLU  82          HG1       GLU  82   8.150   1.699  -1.593
  650    H    LEU  83           HN       LEU  83   3.629   0.483  -1.067
  651    HA   LEU  83           HA       LEU  83   3.192  -1.430   0.921
  652   1HB   LEU  83          HB2       LEU  83   1.265   0.470  -0.436
  653   2HB   LEU  83          HB1       LEU  83   0.818  -0.529   0.934
  654    HG   LEU  83           HG       LEU  83   2.666   0.612   2.235
  655   1HD1  LEU  83          HD11      LEU  83   3.286   2.880   1.344
  656   2HD1  LEU  83          HD12      LEU  83   2.671   2.349  -0.221
  657   3HD1  LEU  83          HD13      LEU  83   4.032   1.510   0.523
  658   1HD2  LEU  83          HD21      LEU  83   1.328   2.714   2.531
  659   2HD2  LEU  83          HD22      LEU  83   0.409   1.216   2.668
  660   3HD2  LEU  83          HD23      LEU  83   0.316   2.177   1.193
  661    H    ALA  84           HN       ALA  84   2.617  -1.592  -2.455
  662    HA   ALA  84           HA       ALA  84   0.730  -3.708  -2.282
  663   1HB   ALA  84          HB1       ALA  84   2.319  -2.432  -4.453
  664   2HB   ALA  84          HB2       ALA  84   0.573  -2.636  -4.306
  665   3HB   ALA  84          HB3       ALA  84   1.590  -4.007  -4.749
  666    H    LYS  85           HN       LYS  85   4.281  -3.524  -2.554
  667    HA   LYS  85           HA       LYS  85   4.991  -6.071  -3.262
  668   1HB   LYS  85          HB2       LYS  85   6.192  -4.437  -1.029
  669   2HB   LYS  85          HB1       LYS  85   6.937  -5.867  -1.731
  670   1HG   LYS  85          HG2       LYS  85   7.588  -4.781  -3.599
  671   2HG   LYS  85          HG1       LYS  85   6.169  -3.732  -3.616
  672   1HD   LYS  85          HD2       LYS  85   8.024  -2.339  -3.158
  673   2HD   LYS  85          HD1       LYS  85   7.163  -2.545  -1.632
  674   1HE   LYS  85          HE2       LYS  85   8.805  -4.451  -1.171
  675   2HE   LYS  85          HE1       LYS  85   9.754  -3.785  -2.501
  676   1HZ   LYS  85          HZ1       LYS  85  10.608  -2.804  -0.579
  677   2HZ   LYS  85          HZ2       LYS  85   9.079  -2.505   0.076
  678   3HZ   LYS  85          HZ3       LYS  85   9.618  -1.607  -1.252
  679    H    GLU  86           HN       GLU  86   3.657  -5.026  -0.257
  680    HA   GLU  86           HA       GLU  86   3.906  -7.579   1.027
  681   1HB   GLU  86          HB2       GLU  86   2.508  -6.512   2.776
  682   2HB   GLU  86          HB1       GLU  86   3.959  -5.588   2.399
  683   1HG   GLU  86          HG2       GLU  86   2.719  -4.067   1.076
  684   2HG   GLU  86          HG1       GLU  86   1.245  -5.010   1.271
  685    H    VAL  87           HN       VAL  87   1.401  -5.734  -0.599
  686    HA   VAL  87           HA       VAL  87  -0.678  -7.593   0.049
  687    HB   VAL  87           HB       VAL  87  -0.675  -5.248  -1.862
  688   1HG1  VAL  87          HG11      VAL  87  -3.008  -5.459  -2.026
  689   2HG1  VAL  87          HG12      VAL  87  -3.078  -6.669  -0.752
  690   3HG1  VAL  87          HG13      VAL  87  -2.380  -7.071  -2.318
  691   1HG2  VAL  87          HG21      VAL  87  -0.356  -4.449   0.339
  692   2HG2  VAL  87          HG22      VAL  87  -1.544  -5.571   1.000
  693   3HG2  VAL  87          HG23      VAL  87  -2.068  -4.233  -0.022
  694    H    ARG  88           HN       ARG  88   1.537  -7.204  -2.593
  695    HA   ARG  88           HA       ARG  88   0.132  -8.433  -4.646
  696   1HB   ARG  88          HB2       ARG  88   2.485  -7.280  -4.593
  697   2HB   ARG  88          HB1       ARG  88   3.067  -8.916  -4.317
  698   1HG   ARG  88          HG2       ARG  88   2.011  -9.648  -6.389
  699   2HG   ARG  88          HG1       ARG  88   1.410  -8.009  -6.657
  700   1HD   ARG  88          HD2       ARG  88   3.708  -7.180  -6.753
  701   2HD   ARG  88          HD1       ARG  88   4.313  -8.813  -6.472
  702    HE   ARG  88           HE       ARG  88   2.626  -8.789  -8.733
  703   1HH1  ARG  88          HH11      ARG  88   5.781  -7.756  -7.681
  704   2HH1  ARG  88          HH12      ARG  88   6.479  -7.838  -9.264
  705   1HH2  ARG  88          HH21      ARG  88   3.534  -8.901 -10.823
  706   2HH2  ARG  88          HH22      ARG  88   5.201  -8.489 -11.051
  707    H    LYS  89           HN       LYS  89   2.700 -10.060  -2.784
  708    HA   LYS  89           HA       LYS  89   2.025 -12.647  -3.552
  709   1HB   LYS  89          HB2       LYS  89   3.552 -13.364  -1.989
  710   2HB   LYS  89          HB1       LYS  89   4.055 -11.693  -2.174
  711   1HG   LYS  89          HG2       LYS  89   4.064 -11.908   0.100
  712   2HG   LYS  89          HG1       LYS  89   2.430 -11.295  -0.155
  713   1HD   LYS  89          HD2       LYS  89   1.934 -13.904  -0.365
  714   2HD   LYS  89          HD1       LYS  89   3.363 -13.984   0.665
  715   1HE   LYS  89          HE2       LYS  89   2.318 -13.002   2.430
  716   2HE   LYS  89          HE1       LYS  89   1.259 -12.037   1.403
  717   1HZ   LYS  89          HZ1       LYS  89  -0.005 -13.712   2.551
  718   2HZ   LYS  89          HZ2       LYS  89   0.998 -14.941   1.963
  719   3HZ   LYS  89          HZ3       LYS  89   0.020 -14.069   0.896
  720    H    GLU  90           HN       GLU  90   0.817 -10.588  -1.042
  721    HA   GLU  90           HA       GLU  90  -0.691 -12.335   0.473
  722   1HB   GLU  90          HB2       GLU  90  -0.695  -9.429  -0.096
  723   2HB   GLU  90          HB1       GLU  90  -2.160 -10.086   0.635
  724   1HG   GLU  90          HG2       GLU  90   0.645 -10.245   1.720
  725   2HG   GLU  90          HG1       GLU  90  -0.660  -9.222   2.316
  726    H    LYS  91           HN       LYS  91  -1.230 -11.171  -2.731
  727    HA   LYS  91           HA       LYS  91  -3.976 -11.329  -3.008
  728   1HB   LYS  91          HB2       LYS  91  -3.643 -11.383  -5.316
  729   2HB   LYS  91          HB1       LYS  91  -2.236 -10.541  -4.691
  730   1HG   LYS  91          HG2       LYS  91  -0.924 -12.605  -4.889
  731   2HG   LYS  91          HG1       LYS  91  -2.342 -13.432  -5.536
  732   1HD   LYS  91          HD2       LYS  91  -2.400 -11.820  -7.401
  733   2HD   LYS  91          HD1       LYS  91  -0.937 -11.063  -6.770
  734   1HE   LYS  91          HE2       LYS  91   0.306 -13.113  -7.100
  735   2HE   LYS  91          HE1       LYS  91  -1.156 -13.948  -7.620
  736   1HZ   LYS  91          HZ1       LYS  91   0.127 -11.664  -9.020
  737   2HZ   LYS  91          HZ2       LYS  91  -1.287 -12.448  -9.516
  738   3HZ   LYS  91          HZ3       LYS  91   0.183 -13.284  -9.508
  739    H    ALA  92           HN       ALA  92  -1.612 -13.918  -3.404
  740    HA   ALA  92           HA       ALA  92  -3.666 -15.865  -3.981
  741   1HB   ALA  92          HB1       ALA  92  -1.821 -17.459  -4.159
  742   2HB   ALA  92          HB2       ALA  92  -0.704 -16.224  -3.577
  743   3HB   ALA  92          HB3       ALA  92  -1.532 -16.008  -5.119
  744    H    LEU  93           HN       LEU  93  -1.712 -15.040  -1.152
  745    HA   LEU  93           HA       LEU  93  -2.550 -17.451   0.211
  746   1HB   LEU  93          HB2       LEU  93  -0.357 -16.056   0.574
  747   2HB   LEU  93          HB1       LEU  93  -1.376 -15.152   1.686
  748    HG   LEU  93           HG       LEU  93  -1.939 -17.711   2.433
  749   1HD1  LEU  93          HD11      LEU  93  -0.250 -18.647   0.956
  750   2HD1  LEU  93          HD12      LEU  93   0.197 -18.885   2.645
  751   3HD1  LEU  93          HD13      LEU  93   0.985 -17.626   1.693
  752   1HD2  LEU  93          HD21      LEU  93   0.279 -15.955   3.493
  753   2HD2  LEU  93          HD22      LEU  93  -0.531 -17.254   4.370
  754   3HD2  LEU  93          HD23      LEU  93  -1.432 -15.814   3.898
  755    H    GLY  94           HN       GLY  94  -3.833 -14.261  -0.102
  756   1HA   GLY  94          HA2       GLY  94  -5.181 -13.802   2.235
  757   2HA   GLY  94          HA1       GLY  94  -5.883 -13.470   0.659
  758    H    ILE  95           HN       ILE  95  -6.132 -16.027  -0.306
  759    HA   ILE  95           HA       ILE  95  -8.594 -16.742   0.831
  760    HB   ILE  95           HB       ILE  95  -8.386 -18.811  -0.588
  761   1HG1  ILE  95          HG12      ILE  95  -5.896 -17.450  -1.603
  762   2HG1  ILE  95          HG11      ILE  95  -5.869 -18.842  -0.527
  763   1HG2  ILE  95          HG21      ILE  95  -8.629 -17.577  -2.680
  764   2HG2  ILE  95          HG22      ILE  95  -7.962 -16.148  -1.893
  765   3HG2  ILE  95          HG23      ILE  95  -9.504 -16.809  -1.354
  766   1HD1  ILE  95          HD11      ILE  95  -5.514 -19.472  -2.855
  767   2HD1  ILE  95          HD12      ILE  95  -7.078 -18.778  -3.280
  768   3HD1  ILE  95          HD13      ILE  95  -6.997 -20.178  -2.211
  769    H    ARG  96           HN       ARG  96  -7.889 -16.852   3.049
  770    HA   ARG  96           HA       ARG  96  -6.287 -19.022   3.977
  771   1HB   ARG  96          HB2       ARG  96  -6.902 -18.329   6.175
  772   2HB   ARG  96          HB1       ARG  96  -6.724 -16.864   5.220
  773   1HG   ARG  96          HG2       ARG  96  -8.676 -16.357   6.240
  774   2HG   ARG  96          HG1       ARG  96  -9.338 -17.256   4.874
  775   1HD   ARG  96          HD2       ARG  96 -10.410 -18.085   6.823
  776   2HD   ARG  96          HD1       ARG  96  -9.248 -19.312   6.321
  777    HE   ARG  96           HE       ARG  96  -8.169 -17.500   8.252
  778   1HH1  ARG  96          HH11      ARG  96 -10.124 -20.352   7.836
  779   2HH1  ARG  96          HH12      ARG  96  -9.799 -20.963   9.423
  780   1HH2  ARG  96          HH21      ARG  96  -7.735 -18.295  10.344
  781   2HH2  ARG  96          HH22      ARG  96  -8.441 -19.794  10.849
  782    H    LYS  97           HN       LYS  97  -9.495 -18.678   2.901
  783    HA   LYS  97           HA       LYS  97 -10.438 -21.089   4.214
  784   1HB   LYS  97          HB2       LYS  97 -12.570 -20.476   2.973
  785   2HB   LYS  97          HB1       LYS  97 -12.033 -19.331   4.195
  786   1HG   LYS  97          HG2       LYS  97 -11.169 -17.825   2.501
  787   2HG   LYS  97          HG1       LYS  97 -11.486 -19.038   1.246
  788   1HD   LYS  97          HD2       LYS  97 -13.858 -18.851   1.591
  789   2HD   LYS  97          HD1       LYS  97 -13.609 -17.781   2.975
  790   1HE   LYS  97          HE2       LYS  97 -14.013 -16.226   1.356
  791   2HE   LYS  97          HE1       LYS  97 -12.261 -16.385   1.209
  792   1HZ   LYS  97          HZ1       LYS  97 -13.401 -16.450  -0.947
  793   2HZ   LYS  97          HZ2       LYS  97 -14.237 -17.838  -0.466
  794   3HZ   LYS  97          HZ3       LYS  97 -12.555 -17.881  -0.635
  795    H    LYS  98           HN       LYS  98  -8.987 -22.530   3.128
  796    HA   LYS  98           HA       LYS  98  -9.579 -22.939   0.274
  797   1HB   LYS  98          HB2       LYS  98  -7.160 -23.702   1.915
  798   2HB   LYS  98          HB1       LYS  98  -7.430 -24.257   0.270
  799   1HG   LYS  98          HG2       LYS  98  -7.391 -21.959  -0.530
  800   2HG   LYS  98          HG1       LYS  98  -7.164 -21.377   1.120
  801   1HD   LYS  98          HD2       LYS  98  -5.046 -22.628   1.246
  802   2HD   LYS  98          HD1       LYS  98  -5.268 -23.138  -0.430
  803   1HE   LYS  98          HE2       LYS  98  -5.189 -20.831  -1.172
  804   2HE   LYS  98          HE1       LYS  98  -5.072 -20.275   0.497
  805   1HZ   LYS  98          HZ1       LYS  98  -2.914 -20.291  -0.584
  806   2HZ   LYS  98          HZ2       LYS  98  -3.059 -21.944  -0.912
  807   3HZ   LYS  98          HZ3       LYS  98  -2.946 -21.406   0.688
  808   1H    MET   1          HT1       MET   1  18.566  -3.904  -3.493
  809   2H    MET   1          HT2       MET   1  19.707  -4.642  -2.491
  810   3H    MET   1          HT3       MET   1  18.265  -4.055  -1.836
  811    HA   MET   1           HA       MET   1  18.687  -6.403  -3.562
  812   1HB   MET   1          HB2       MET   1  17.815  -5.872  -0.794
  813   2HB   MET   1          HB1       MET   1  16.978  -7.156  -1.617
  814   1HG   MET   1          HG2       MET   1  19.091  -7.652  -0.189
  815   2HG   MET   1          HG1       MET   1  18.852  -8.492  -1.707
  816   1HE   MET   1          HE1       MET   1  22.697  -8.213  -1.633
  817   2HE   MET   1          HE2       MET   1  21.280  -9.254  -1.502
  818   3HE   MET   1          HE3       MET   1  21.768  -8.253  -0.134
  819    H    ALA   2           HN       ALA   2  16.340  -7.623  -3.425
  820    HA   ALA   2           HA       ALA   2  14.531  -5.726  -4.740
  821   1HB   ALA   2          HB1       ALA   2  14.831  -8.680  -5.217
  822   2HB   ALA   2          HB2       ALA   2  15.379  -7.379  -6.273
  823   3HB   ALA   2          HB3       ALA   2  13.655  -7.635  -6.016
  824    H    ALA   3           HN       ALA   3  12.238  -6.136  -4.618
  825    HA   ALA   3           HA       ALA   3  11.340  -6.622  -1.939
  826   1HB   ALA   3          HB1       ALA   3  10.364  -5.064  -3.795
  827   2HB   ALA   3          HB2       ALA   3   9.274  -5.874  -2.668
  828   3HB   ALA   3          HB3       ALA   3   9.496  -6.515  -4.297
  829    H    GLU   4           HN       GLU   4  11.716  -8.719  -1.345
  830    HA   GLU   4           HA       GLU   4  11.194 -10.943  -3.019
  831   1HB   GLU   4          HB2       GLU   4  12.670 -10.628  -0.844
  832   2HB   GLU   4          HB1       GLU   4  11.220 -11.230  -0.057
  833   1HG   GLU   4          HG2       GLU   4  13.037 -12.597  -1.978
  834   2HG   GLU   4          HG1       GLU   4  12.464 -13.140  -0.405
  835    H    THR   5           HN       THR   5   9.703 -12.215  -0.440
  836    HA   THR   5           HA       THR   5   7.160 -12.108  -1.642
  837    HB   THR   5           HB       THR   5   7.984 -13.074   1.099
  838    HG1  THR   5           HG1      THR   5   7.209 -14.732  -1.035
  839   1HG2  THR   5          HG21      THR   5   5.399 -13.551  -0.382
  840   2HG2  THR   5          HG22      THR   5   5.597 -12.488   1.008
  841   3HG2  THR   5          HG23      THR   5   5.849 -14.223   1.187
  842    H    LEU   6           HN       LEU   6   7.401 -11.394   1.813
  843    HA   LEU   6           HA       LEU   6   5.626  -9.093   1.365
  844   1HB   LEU   6          HB2       LEU   6   6.115 -10.750   3.842
  845   2HB   LEU   6          HB1       LEU   6   5.072  -9.351   3.774
  846    HG   LEU   6           HG       LEU   6   4.118 -11.001   1.758
  847   1HD1  LEU   6          HD11      LEU   6   4.247 -13.159   2.367
  848   2HD1  LEU   6          HD12      LEU   6   4.054 -12.784   4.079
  849   3HD1  LEU   6          HD13      LEU   6   5.638 -12.644   3.319
  850   1HD2  LEU   6          HD21      LEU   6   3.140 -10.688   4.591
  851   2HD2  LEU   6          HD22      LEU   6   2.180 -11.218   3.210
  852   3HD2  LEU   6          HD23      LEU   6   2.814  -9.573   3.264
  853    H    THR   7           HN       THR   7   6.900  -7.270   1.184
  854    HA   THR   7           HA       THR   7   9.275  -6.907   2.700
  855    HB   THR   7           HB       THR   7   8.479  -4.343   2.129
  856    HG1  THR   7           HG1      THR   7   6.654  -4.988   0.993
  857   1HG2  THR   7          HG21      THR   7   9.847  -6.012   0.020
  858   2HG2  THR   7          HG22      THR   7  10.634  -5.664   1.564
  859   3HG2  THR   7          HG23      THR   7  10.157  -4.341   0.505
  860    H    GLU   8           HN       GLU   8   9.581  -5.258   4.375
  861    HA   GLU   8           HA       GLU   8   8.212  -5.713   6.650
  862   1HB   GLU   8          HB2       GLU   8   9.138  -2.922   6.015
  863   2HB   GLU   8          HB1       GLU   8   9.126  -3.736   7.574
  864   1HG   GLU   8          HG2       GLU   8  10.810  -5.347   6.592
  865   2HG   GLU   8          HG1       GLU   8  10.955  -4.215   5.249
  866    H    LEU   9           HN       LEU   9   7.177  -3.660   4.063
  867    HA   LEU   9           HA       LEU   9   5.208  -2.140   5.237
  868   1HB   LEU   9          HB2       LEU   9   4.904  -3.445   2.549
  869   2HB   LEU   9          HB1       LEU   9   4.320  -1.876   3.059
  870    HG   LEU   9           HG       LEU   9   7.078  -2.697   2.248
  871   1HD1  LEU   9          HD11      LEU   9   6.743  -0.255   1.275
  872   2HD1  LEU   9          HD12      LEU   9   5.046  -0.717   1.431
  873   3HD1  LEU   9          HD13      LEU   9   6.145  -1.697   0.460
  874   1HD2  LEU   9          HD21      LEU   9   7.580  -0.225   3.133
  875   2HD2  LEU   9          HD22      LEU   9   7.874  -1.671   4.093
  876   3HD2  LEU   9          HD23      LEU   9   6.409  -0.732   4.349
  877    H    GLU  10           HN       GLU  10   5.193  -5.567   4.592
  878    HA   GLU  10           HA       GLU  10   2.468  -6.083   4.496
  879   1HB   GLU  10          HB2       GLU  10   3.154  -8.288   5.685
  880   2HB   GLU  10          HB1       GLU  10   3.766  -7.959   4.062
  881   1HG   GLU  10          HG2       GLU  10   5.872  -7.993   4.787
  882   2HG   GLU  10          HG1       GLU  10   5.510  -6.865   6.089
  883    H    ALA  11           HN       ALA  11   4.557  -5.450   7.258
  884    HA   ALA  11           HA       ALA  11   2.756  -6.059   9.305
  885   1HB   ALA  11          HB1       ALA  11   4.022  -4.468  10.681
  886   2HB   ALA  11          HB2       ALA  11   4.800  -3.832   9.231
  887   3HB   ALA  11          HB3       ALA  11   5.102  -5.494   9.736
  888    H    ALA  12           HN       ALA  12   2.988  -3.385   7.103
  889    HA   ALA  12           HA       ALA  12   1.100  -1.695   8.409
  890   1HB   ALA  12          HB1       ALA  12   2.852  -0.954   6.750
  891   2HB   ALA  12          HB2       ALA  12   1.232  -0.318   6.474
  892   3HB   ALA  12          HB3       ALA  12   1.834  -1.647   5.487
  893    H    ILE  13           HN       ILE  13   0.919  -4.378   6.217
  894    HA   ILE  13           HA       ILE  13  -1.531  -4.039   5.014
  895    HB   ILE  13           HB       ILE  13   0.216  -6.030   4.916
  896   1HG1  ILE  13          HG12      ILE  13  -1.708  -5.591   3.393
  897   2HG1  ILE  13          HG11      ILE  13  -1.360  -7.301   3.622
  898   1HG2  ILE  13          HG21      ILE  13  -0.485  -6.750   7.282
  899   2HG2  ILE  13          HG22      ILE  13  -0.285  -7.991   6.046
  900   3HG2  ILE  13          HG23      ILE  13  -1.901  -7.438   6.488
  901   1HD1  ILE  13          HD11      ILE  13  -3.686  -7.123   3.711
  902   2HD1  ILE  13          HD12      ILE  13  -3.623  -5.686   4.730
  903   3HD1  ILE  13          HD13      ILE  13  -3.182  -7.257   5.397
  904    H    GLU  14           HN       GLU  14  -0.747  -4.848   8.294
  905    HA   GLU  14           HA       GLU  14  -3.279  -5.742   9.156
  906   1HB   GLU  14          HB2       GLU  14  -1.043  -4.470  10.739
  907   2HB   GLU  14          HB1       GLU  14  -2.410  -5.337  11.425
  908   1HG   GLU  14          HG2       GLU  14  -0.278  -6.491   9.641
  909   2HG   GLU  14          HG1       GLU  14  -0.440  -6.738  11.379
  910    H    THR  15           HN       THR  15  -1.798  -2.506   9.034
  911    HA   THR  15           HA       THR  15  -3.860  -1.262  10.487
  912    HB   THR  15           HB       THR  15  -1.892  -0.063   8.550
  913    HG1  THR  15           HG1      THR  15  -0.998   0.587  10.751
  914   1HG2  THR  15          HG21      THR  15  -3.607   1.536   8.802
  915   2HG2  THR  15          HG22      THR  15  -2.368   2.016   9.964
  916   3HG2  THR  15          HG23      THR  15  -3.810   1.165  10.515
  917    H    VAL  16           HN       VAL  16  -3.057  -1.317   7.060
  918    HA   VAL  16           HA       VAL  16  -5.314   0.038   6.064
  919    HB   VAL  16           HB       VAL  16  -3.257  -0.286   4.779
  920   1HG1  VAL  16          HG11      VAL  16  -2.775  -2.515   3.801
  921   2HG1  VAL  16          HG12      VAL  16  -4.042  -3.198   4.819
  922   3HG1  VAL  16          HG13      VAL  16  -2.616  -2.468   5.556
  923   1HG2  VAL  16          HG21      VAL  16  -4.920   0.151   3.267
  924   2HG2  VAL  16          HG22      VAL  16  -5.849  -1.283   3.685
  925   3HG2  VAL  16          HG23      VAL  16  -4.401  -1.427   2.689
  926    H    VAL  17           HN       VAL  17  -4.772  -3.361   6.808
  927    HA   VAL  17           HA       VAL  17  -7.245  -4.186   5.593
  928    HB   VAL  17           HB       VAL  17  -5.203  -5.649   5.842
  929   1HG1  VAL  17          HG11      VAL  17  -4.744  -6.768   7.875
  930   2HG1  VAL  17          HG12      VAL  17  -6.195  -6.120   8.638
  931   3HG1  VAL  17          HG13      VAL  17  -4.848  -5.051   8.261
  932   1HG2  VAL  17          HG21      VAL  17  -6.668  -7.667   6.581
  933   2HG2  VAL  17          HG22      VAL  17  -7.046  -6.788   5.100
  934   3HG2  VAL  17          HG23      VAL  17  -7.969  -6.475   6.571
  935    H    SER  18           HN       SER  18  -6.063  -3.461   8.822
  936    HA   SER  18           HA       SER  18  -8.545  -4.178  10.096
  937   1HB   SER  18          HB2       SER  18  -6.107  -2.756  11.188
  938   2HB   SER  18          HB1       SER  18  -7.466  -3.336  12.153
  939    HG   SER  18           HG       SER  18  -5.350  -4.684  11.568
  940    H    THR  19           HN       THR  19  -7.466  -1.460   8.399
  941    HA   THR  19           HA       THR  19  -9.028   0.419   9.941
  942    HB   THR  19           HB       THR  19  -8.396   1.989   7.955
  943    HG1  THR  19           HG1      THR  19  -7.377  -0.177   6.985
  944   1HG2  THR  19          HG21      THR  19  -7.542   2.207  10.222
  945   2HG2  THR  19          HG22      THR  19  -6.257   2.484   9.048
  946   3HG2  THR  19          HG23      THR  19  -6.348   0.948   9.910
  947    H    PHE  20           HN       PHE  20  -9.065   0.496   6.441
  948    HA   PHE  20           HA       PHE  20 -11.903   0.970   6.447
  949   1HB   PHE  20          HB2       PHE  20 -10.921   2.350   4.921
  950   2HB   PHE  20          HB1       PHE  20  -9.613   1.224   4.627
  951    HD1  PHE  20           HD1      PHE  20 -13.304   1.288   3.972
  952    HD2  PHE  20           HD2      PHE  20  -9.378   0.593   2.506
  953    HE1  PHE  20           HE1      PHE  20 -14.224   0.747   1.756
  954    HE2  PHE  20           HE2      PHE  20 -10.287   0.038   0.293
  955    HZ   PHE  20           HZ       PHE  20 -12.715   0.115  -0.085
  956    H    PHE  21           HN       PHE  21  -9.756  -1.549   5.413
  957    HA   PHE  21           HA       PHE  21 -11.581  -3.031   4.015
  958   1HB   PHE  21          HB2       PHE  21  -9.137  -3.910   5.555
  959   2HB   PHE  21          HB1       PHE  21  -9.966  -4.933   4.406
  960    HD1  PHE  21           HD1      PHE  21  -7.358  -4.834   3.776
  961    HD2  PHE  21           HD2      PHE  21 -10.174  -1.707   3.114
  962    HE1  PHE  21           HE1      PHE  21  -5.898  -3.882   2.064
  963    HE2  PHE  21           HE2      PHE  21  -8.706  -0.777   1.377
  964    HZ   PHE  21           HZ       PHE  21  -6.571  -1.857   0.844
  965    H    THR  22           HN       THR  22 -11.433  -2.449   7.365
  966    HA   THR  22           HA       THR  22 -12.572  -4.769   8.393
  967    HB   THR  22           HB       THR  22 -13.468  -3.379  10.196
  968    HG1  THR  22           HG1      THR  22 -13.747  -1.555   8.416
  969   1HG2  THR  22          HG21      THR  22 -10.727  -2.570   9.256
  970   2HG2  THR  22          HG22      THR  22 -11.122  -3.979  10.241
  971   3HG2  THR  22          HG23      THR  22 -11.350  -2.356  10.894
  972    H    PHE  23           HN       PHE  23 -13.889  -2.501   6.207
  973    HA   PHE  23           HA       PHE  23 -16.621  -2.839   6.868
  974   1HB   PHE  23          HB2       PHE  23 -16.694  -0.972   5.699
  975   2HB   PHE  23          HB1       PHE  23 -15.015  -1.189   5.244
  976    HD1  PHE  23           HD1      PHE  23 -18.198  -2.840   4.045
  977    HD2  PHE  23           HD2      PHE  23 -14.716  -0.584   3.170
  978    HE1  PHE  23           HE1      PHE  23 -18.850  -2.771   1.688
  979    HE2  PHE  23           HE2      PHE  23 -15.350  -0.509   0.815
  980    HZ   PHE  23           HZ       PHE  23 -17.430  -1.584   0.073
  981    H    ALA  24           HN       ALA  24 -14.423  -4.702   4.902
  982    HA   ALA  24           HA       ALA  24 -16.145  -5.989   3.142
  983   1HB   ALA  24          HB1       ALA  24 -13.992  -6.756   2.897
  984   2HB   ALA  24          HB2       ALA  24 -14.702  -8.102   3.781
  985   3HB   ALA  24          HB3       ALA  24 -13.733  -6.903   4.632
  986    H    GLY  25           HN       GLY  25 -15.656  -6.622   6.566
  987   1HA   GLY  25          HA2       GLY  25 -17.166  -8.740   7.162
  988   2HA   GLY  25          HA1       GLY  25 -17.274  -7.267   8.117
  989    H    ARG  26           HN       ARG  26 -18.422  -5.721   5.872
  990    HA   ARG  26           HA       ARG  26 -21.105  -5.847   6.305
  991   1HB   ARG  26          HB2       ARG  26 -20.169  -4.056   4.991
  992   2HB   ARG  26          HB1       ARG  26 -19.638  -5.178   3.738
  993   1HG   ARG  26          HG2       ARG  26 -21.576  -4.974   2.683
  994   2HG   ARG  26          HG1       ARG  26 -22.464  -5.440   4.133
  995   1HD   ARG  26          HD2       ARG  26 -21.485  -2.667   3.480
  996   2HD   ARG  26          HD1       ARG  26 -23.146  -3.233   3.317
  997    HE   ARG  26           HE       ARG  26 -22.187  -3.621   5.960
  998   1HH1  ARG  26          HH11      ARG  26 -23.362  -1.183   3.772
  999   2HH1  ARG  26          HH12      ARG  26 -23.961  -0.155   5.031
 1000   1HH2  ARG  26          HH21      ARG  26 -22.970  -2.276   7.628
 1001   2HH2  ARG  26          HH22      ARG  26 -23.737  -0.776   7.224
 1002    H    GLU  27           HN       GLU  27 -19.297  -7.540   3.772
 1003    HA   GLU  27           HA       GLU  27 -21.583  -9.195   3.099
 1004   1HB   GLU  27          HB2       GLU  27 -18.715  -9.132   2.172
 1005   2HB   GLU  27          HB1       GLU  27 -19.825 -10.397   1.659
 1006   1HG   GLU  27          HG2       GLU  27 -20.335  -7.460   1.267
 1007   2HG   GLU  27          HG1       GLU  27 -19.570  -8.495   0.063
 1008    H    GLY  28           HN       GLY  28 -22.169 -10.904   4.228
 1009   1HA   GLY  28          HA2       GLY  28 -21.162 -11.962   6.474
 1010   2HA   GLY  28          HA1       GLY  28 -22.013 -12.948   5.302
 1011    H    ARG  29           HN       ARG  29 -20.676 -13.924   3.570
 1012    HA   ARG  29           HA       ARG  29 -18.775 -15.604   4.503
 1013   1HB   ARG  29          HB2       ARG  29 -19.674 -15.936   2.312
 1014   2HB   ARG  29          HB1       ARG  29 -19.021 -14.407   1.743
 1015   1HG   ARG  29          HG2       ARG  29 -16.737 -15.316   1.967
 1016   2HG   ARG  29          HG1       ARG  29 -17.425 -16.851   2.503
 1017   1HD   ARG  29          HD2       ARG  29 -18.146 -15.587  -0.125
 1018   2HD   ARG  29          HD1       ARG  29 -16.756 -16.655   0.058
 1019    HE   ARG  29           HE       ARG  29 -18.859 -18.052   1.116
 1020   1HH1  ARG  29          HH11      ARG  29 -18.179 -16.551  -1.952
 1021   2HH1  ARG  29          HH12      ARG  29 -19.130 -17.678  -2.861
 1022   1HH2  ARG  29          HH21      ARG  29 -20.112 -19.542  -0.070
 1023   2HH2  ARG  29          HH22      ARG  29 -20.229 -19.380  -1.791
 1024    H    LYS  30           HN       LYS  30 -16.428 -15.739   4.014
 1025    HA   LYS  30           HA       LYS  30 -15.127 -13.192   4.713
 1026   1HB   LYS  30          HB2       LYS  30 -13.791 -15.910   4.570
 1027   2HB   LYS  30          HB1       LYS  30 -13.306 -14.494   5.499
 1028   1HG   LYS  30          HG2       LYS  30 -15.751 -16.165   6.047
 1029   2HG   LYS  30          HG1       LYS  30 -14.222 -16.260   6.925
 1030   1HD   LYS  30          HD2       LYS  30 -16.027 -13.847   6.748
 1031   2HD   LYS  30          HD1       LYS  30 -15.843 -14.908   8.146
 1032   1HE   LYS  30          HE2       LYS  30 -13.686 -13.200   6.910
 1033   2HE   LYS  30          HE1       LYS  30 -14.537 -12.866   8.418
 1034   1HZ   LYS  30          HZ1       LYS  30 -12.388 -13.861   8.840
 1035   2HZ   LYS  30          HZ2       LYS  30 -12.784 -15.206   7.894
 1036   3HZ   LYS  30          HZ3       LYS  30 -13.618 -14.912   9.335
 1037    H    GLY  31           HN       GLY  31 -15.936 -13.063   2.210
 1038   1HA   GLY  31          HA2       GLY  31 -13.779 -13.908   0.442
 1039   2HA   GLY  31          HA1       GLY  31 -15.322 -13.236  -0.057
 1040    H    SER  32           HN       SER  32 -15.559 -10.985  -0.133
 1041    HA   SER  32           HA       SER  32 -13.187  -9.486   0.670
 1042   1HB   SER  32          HB2       SER  32 -13.381  -8.219  -1.559
 1043   2HB   SER  32          HB1       SER  32 -12.623  -9.811  -1.577
 1044    HG   SER  32           HG       SER  32 -14.225  -9.450  -3.249
 1045    H    LEU  33           HN       LEU  33 -13.573  -7.111   0.159
 1046    HA   LEU  33           HA       LEU  33 -16.129  -6.427   1.300
 1047   1HB   LEU  33          HB2       LEU  33 -14.945  -4.817   2.328
 1048   2HB   LEU  33          HB1       LEU  33 -13.535  -5.371   1.499
 1049    HG   LEU  33           HG       LEU  33 -15.396  -3.177   0.592
 1050   1HD1  LEU  33          HD11      LEU  33 -13.698  -1.635   1.169
 1051   2HD1  LEU  33          HD12      LEU  33 -12.534  -2.910   1.459
 1052   3HD1  LEU  33          HD13      LEU  33 -13.891  -2.706   2.553
 1053   1HD2  LEU  33          HD21      LEU  33 -12.930  -3.077  -0.791
 1054   2HD2  LEU  33          HD22      LEU  33 -14.547  -3.324  -1.449
 1055   3HD2  LEU  33          HD23      LEU  33 -13.575  -4.710  -0.957
 1056    H    ASN  34           HN       ASN  34 -17.438  -4.703   0.304
 1057    HA   ASN  34           HA       ASN  34 -17.054  -4.844  -2.597
 1058   1HB   ASN  34          HB2       ASN  34 -19.533  -4.673  -2.756
 1059   2HB   ASN  34          HB1       ASN  34 -19.002  -6.099  -1.876
 1060   1HD2  ASN  34          HD21      ASN  34 -19.214  -6.165   0.375
 1061   2HD2  ASN  34          HD22      ASN  34 -20.346  -5.151   1.195
 1062    H    ILE  35           HN       ILE  35 -19.501  -2.815  -2.181
 1063    HA   ILE  35           HA       ILE  35 -17.836  -0.529  -1.591
 1064    HB   ILE  35           HB       ILE  35 -18.916   0.671  -3.557
 1065   1HG1  ILE  35          HG12      ILE  35 -20.542  -1.179  -4.056
 1066   2HG1  ILE  35          HG11      ILE  35 -19.583  -0.672  -5.443
 1067   1HG2  ILE  35          HG21      ILE  35 -16.538  -0.647  -3.178
 1068   2HG2  ILE  35          HG22      ILE  35 -16.896   0.481  -4.482
 1069   3HG2  ILE  35          HG23      ILE  35 -17.085  -1.251  -4.742
 1070   1HD1  ILE  35          HD11      ILE  35 -19.278  -2.868  -5.728
 1071   2HD1  ILE  35          HD12      ILE  35 -19.686  -3.242  -4.054
 1072   3HD1  ILE  35          HD13      ILE  35 -18.064  -2.687  -4.459
 1073    H    ASN  36           HN       ASN  36 -20.001  -1.864  -0.196
 1074    HA   ASN  36           HA       ASN  36 -22.192   0.013  -0.278
 1075   1HB   ASN  36          HB2       ASN  36 -21.587  -2.278   1.604
 1076   2HB   ASN  36          HB1       ASN  36 -23.033  -1.280   1.687
 1077   1HD2  ASN  36          HD21      ASN  36 -23.585  -1.044  -1.040
 1078   2HD2  ASN  36          HD22      ASN  36 -24.039  -2.596  -1.646
 1079    H    GLU  37           HN       GLU  37 -20.015  -1.073   2.368
 1080    HA   GLU  37           HA       GLU  37 -20.421   1.468   3.626
 1081   1HB   GLU  37          HB2       GLU  37 -18.110  -0.225   4.396
 1082   2HB   GLU  37          HB1       GLU  37 -19.167   0.756   5.388
 1083   1HG   GLU  37          HG2       GLU  37 -20.986  -0.852   4.961
 1084   2HG   GLU  37          HG1       GLU  37 -19.834  -1.888   4.118
 1085    H    PHE  38           HN       PHE  38 -18.380   0.407   1.094
 1086    HA   PHE  38           HA       PHE  38 -16.201   2.117   1.405
 1087   1HB   PHE  38          HB2       PHE  38 -16.538   0.348  -0.424
 1088   2HB   PHE  38          HB1       PHE  38 -17.565   1.522  -1.237
 1089    HD1  PHE  38           HD1      PHE  38 -16.379   3.930  -1.445
 1090    HD2  PHE  38           HD2      PHE  38 -14.398   0.189  -1.115
 1091    HE1  PHE  38           HE1      PHE  38 -14.386   4.902  -2.515
 1092    HE2  PHE  38           HE2      PHE  38 -12.396   1.146  -2.186
 1093    HZ   PHE  38           HZ       PHE  38 -12.389   3.507  -2.887
 1094    H    LYS  39           HN       LYS  39 -19.527   2.551   0.521
 1095    HA   LYS  39           HA       LYS  39 -19.453   5.104  -0.563
 1096   1HB   LYS  39          HB2       LYS  39 -21.645   4.002   1.175
 1097   2HB   LYS  39          HB1       LYS  39 -21.810   5.225  -0.080
 1098   1HG   LYS  39          HG2       LYS  39 -20.625   2.799  -1.053
 1099   2HG   LYS  39          HG1       LYS  39 -22.213   2.509  -0.342
 1100   1HD   LYS  39          HD2       LYS  39 -21.641   4.621  -2.403
 1101   2HD   LYS  39          HD1       LYS  39 -22.264   3.019  -2.786
 1102   1HE   LYS  39          HE2       LYS  39 -24.225   3.453  -1.390
 1103   2HE   LYS  39          HE1       LYS  39 -23.596   5.054  -1.001
 1104   1HZ   LYS  39          HZ1       LYS  39 -23.740   5.637  -3.342
 1105   2HZ   LYS  39          HZ2       LYS  39 -25.251   5.161  -2.752
 1106   3HZ   LYS  39          HZ3       LYS  39 -24.348   4.102  -3.713
 1107    H    GLU  40           HN       GLU  40 -18.901   4.021   2.574
 1108    HA   GLU  40           HA       GLU  40 -19.408   6.482   3.933
 1109   1HB   GLU  40          HB2       GLU  40 -17.778   4.098   4.823
 1110   2HB   GLU  40          HB1       GLU  40 -18.471   5.342   5.859
 1111   1HG   GLU  40          HG2       GLU  40 -19.959   3.286   4.248
 1112   2HG   GLU  40          HG1       GLU  40 -19.747   3.301   5.996
 1113    H    LEU  41           HN       LEU  41 -17.059   5.535   1.743
 1114    HA   LEU  41           HA       LEU  41 -14.796   6.652   3.096
 1115   1HB   LEU  41          HB2       LEU  41 -15.089   5.861   0.218
 1116   2HB   LEU  41          HB1       LEU  41 -13.584   6.267   1.002
 1117    HG   LEU  41           HG       LEU  41 -15.208   3.802   1.096
 1118   1HD1  LEU  41          HD11      LEU  41 -13.209   2.748   0.610
 1119   2HD1  LEU  41          HD12      LEU  41 -12.239   4.033   1.326
 1120   3HD1  LEU  41          HD13      LEU  41 -13.039   4.291  -0.224
 1121   1HD2  LEU  41          HD21      LEU  41 -13.429   4.712   3.362
 1122   2HD2  LEU  41          HD22      LEU  41 -14.020   3.064   3.152
 1123   3HD2  LEU  41          HD23      LEU  41 -15.159   4.376   3.449
 1124    H    ALA  42           HN       ALA  42 -15.635   7.485  -0.235
 1125    HA   ALA  42           HA       ALA  42 -14.638  10.026  -0.243
 1126   1HB   ALA  42          HB1       ALA  42 -16.222  10.554  -2.026
 1127   2HB   ALA  42          HB2       ALA  42 -17.084   9.069  -1.654
 1128   3HB   ALA  42          HB3       ALA  42 -15.432   8.996  -2.241
 1129    H    THR  43           HN       THR  43 -17.624   8.948   1.129
 1130    HA   THR  43           HA       THR  43 -18.906  11.373   1.480
 1131    HB   THR  43           HB       THR  43 -19.853  10.143   3.608
 1132    HG1  THR  43           HG1      THR  43 -18.775   7.938   2.147
 1133   1HG2  THR  43          HG21      THR  43 -20.273   9.241   0.760
 1134   2HG2  THR  43          HG22      THR  43 -21.154  10.504   1.616
 1135   3HG2  THR  43          HG23      THR  43 -21.338   8.818   2.100
 1136    H    GLN  44           HN       GLN  44 -17.034   9.607   3.946
 1137    HA   GLN  44           HA       GLN  44 -16.683  11.982   5.577
 1138   1HB   GLN  44          HB2       GLN  44 -15.765   9.109   5.746
 1139   2HB   GLN  44          HB1       GLN  44 -15.214  10.327   6.902
 1140   1HG   GLN  44          HG2       GLN  44 -18.048   9.431   6.422
 1141   2HG   GLN  44          HG1       GLN  44 -17.057   9.098   7.841
 1142   1HE2  GLN  44          HE21      GLN  44 -15.943  11.797   7.918
 1143   2HE2  GLN  44          HE22      GLN  44 -17.201  12.820   8.510
 1144    H    GLN  45           HN       GLN  45 -14.892  10.059   3.341
 1145    HA   GLN  45           HA       GLN  45 -12.297  11.076   3.679
 1146   1HB   GLN  45          HB2       GLN  45 -13.833   9.895   1.386
 1147   2HB   GLN  45          HB1       GLN  45 -12.140  10.316   1.263
 1148   1HG   GLN  45          HG2       GLN  45 -12.790   8.704   3.586
 1149   2HG   GLN  45          HG1       GLN  45 -13.114   7.915   2.037
 1150   1HE2  GLN  45          HE21      GLN  45 -11.402   7.703   0.545
 1151   2HE2  GLN  45          HE22      GLN  45  -9.755   7.726   1.062
 1152    H    LEU  46           HN       LEU  46 -15.144  12.112   1.887
 1153    HA   LEU  46           HA       LEU  46 -14.289  14.041   0.205
 1154   1HB   LEU  46          HB2       LEU  46 -16.726  13.664   1.770
 1155   2HB   LEU  46          HB1       LEU  46 -16.383  15.354   1.493
 1156    HG   LEU  46           HG       LEU  46 -17.074  13.225  -0.497
 1157   1HD1  LEU  46          HD11      LEU  46 -18.046  16.032  -0.026
 1158   2HD1  LEU  46          HD12      LEU  46 -18.866  14.546   0.455
 1159   3HD1  LEU  46          HD13      LEU  46 -18.652  14.921  -1.254
 1160   1HD2  LEU  46          HD21      LEU  46 -15.556  15.765  -1.024
 1161   2HD2  LEU  46          HD22      LEU  46 -16.523  14.959  -2.258
 1162   3HD2  LEU  46          HD23      LEU  46 -15.152  14.124  -1.530
 1163    HA   PRO  47           HA       PRO  47 -13.434  17.220   3.496
 1164   1HB   PRO  47          HB2       PRO  47 -14.296  17.021   6.021
 1165   2HB   PRO  47          HB1       PRO  47 -15.390  17.569   4.745
 1166   1HG   PRO  47          HG2       PRO  47 -15.144  14.858   5.998
 1167   2HG   PRO  47          HG1       PRO  47 -16.610  15.767   5.583
 1168   1HD   PRO  47          HD2       PRO  47 -15.555  13.778   4.011
 1169   2HD   PRO  47          HD1       PRO  47 -16.538  15.112   3.391
 1170    H    HIS  48           HN       HIS  48 -11.532  16.233   3.136
 1171    HA   HIS  48           HA       HIS  48 -10.329  14.596   5.200
 1172   1HB   HIS  48          HB2       HIS  48 -10.205  14.857   2.391
 1173   2HB   HIS  48          HB1       HIS  48  -8.589  15.233   3.029
 1174    HD1  HIS  48           HD1      HIS  48  -8.015  13.282   5.103
 1175    HD2  HIS  48           HD2      HIS  48 -10.308  12.222   1.804
 1176    HE1  HIS  48           HE1      HIS  48  -7.899  10.773   4.983
 1177    HE2  HIS  48           HE2      HIS  48  -9.365  10.149   3.031
 1178    H    LEU  49           HN       LEU  49  -7.708  15.389   4.939
 1179    HA   LEU  49           HA       LEU  49  -7.710  17.970   6.240
 1180   1HB   LEU  49          HB2       LEU  49  -5.494  16.045   5.492
 1181   2HB   LEU  49          HB1       LEU  49  -5.185  17.610   6.222
 1182    HG   LEU  49           HG       LEU  49  -6.762  15.363   7.483
 1183   1HD1  LEU  49          HD11      LEU  49  -4.878  15.178   9.011
 1184   2HD1  LEU  49          HD12      LEU  49  -4.021  16.441   8.129
 1185   3HD1  LEU  49          HD13      LEU  49  -4.364  14.896   7.349
 1186   1HD2  LEU  49          HD21      LEU  49  -7.576  17.562   8.160
 1187   2HD2  LEU  49          HD22      LEU  49  -5.934  18.044   8.588
 1188   3HD2  LEU  49          HD23      LEU  49  -6.738  16.757   9.486
 1189    H    LEU  50           HN       LEU  50  -5.450  16.885   3.764
 1190    HA   LEU  50           HA       LEU  50  -5.835  19.338   2.250
 1191   1HB   LEU  50          HB2       LEU  50  -3.926  18.650   0.945
 1192   2HB   LEU  50          HB1       LEU  50  -3.544  18.483   2.647
 1193    HG   LEU  50           HG       LEU  50  -4.589  16.032   1.418
 1194   1HD1  LEU  50          HD11      LEU  50  -3.413  16.363  -0.498
 1195   2HD1  LEU  50          HD12      LEU  50  -2.112  15.729   0.510
 1196   3HD1  LEU  50          HD13      LEU  50  -2.268  17.467   0.262
 1197   1HD2  LEU  50          HD21      LEU  50  -2.076  16.611   2.982
 1198   2HD2  LEU  50          HD22      LEU  50  -2.800  15.030   2.684
 1199   3HD2  LEU  50          HD23      LEU  50  -3.636  16.205   3.697
 1200    H    LYS  51           HN       LYS  51  -8.136  18.029   2.202
 1201    HA   LYS  51           HA       LYS  51  -8.761  15.932   0.683
 1202   1HB   LYS  51          HB2       LYS  51 -10.450  17.124   1.829
 1203   2HB   LYS  51          HB1       LYS  51 -10.167  18.584   0.887
 1204   1HG   LYS  51          HG2       LYS  51 -10.923  17.235  -1.129
 1205   2HG   LYS  51          HG1       LYS  51 -11.496  16.022   0.018
 1206   1HD   LYS  51          HD2       LYS  51 -12.534  18.740  -0.628
 1207   2HD   LYS  51          HD1       LYS  51 -13.411  17.255  -0.277
 1208   1HE   LYS  51          HE2       LYS  51 -12.371  17.657   2.121
 1209   2HE   LYS  51          HE1       LYS  51 -12.347  19.327   1.566
 1210   1HZ   LYS  51          HZ1       LYS  51 -14.715  19.179   1.114
 1211   2HZ   LYS  51          HZ2       LYS  51 -14.399  18.815   2.736
 1212   3HZ   LYS  51          HZ3       LYS  51 -14.743  17.571   1.642
 1213    H    ASP  52           HN       ASP  52  -9.524  15.570  -1.386
 1214    HA   ASP  52           HA       ASP  52  -8.192  17.172  -3.469
 1215   1HB   ASP  52          HB2       ASP  52  -8.918  14.236  -3.378
 1216   2HB   ASP  52          HB1       ASP  52  -8.431  15.058  -4.860
 1217    H    VAL  53           HN       VAL  53 -11.166  15.801  -2.330
 1218    HA   VAL  53           HA       VAL  53 -13.261  16.607  -2.690
 1219    HB   VAL  53           HB       VAL  53 -12.131  18.455  -4.098
 1220   1HG1  VAL  53          HG11      VAL  53 -12.016  16.748  -6.113
 1221   2HG1  VAL  53          HG12      VAL  53 -12.299  18.469  -6.374
 1222   3HG1  VAL  53          HG13      VAL  53 -13.654  17.340  -6.387
 1223   1HG2  VAL  53          HG21      VAL  53 -15.017  17.673  -4.376
 1224   2HG2  VAL  53          HG22      VAL  53 -14.369  19.271  -4.744
 1225   3HG2  VAL  53          HG23      VAL  53 -14.297  18.649  -3.096
 1226    H    GLY  54           HN       GLY  54 -13.502  14.400  -2.517
 1227   1HA   GLY  54          HA2       GLY  54 -13.549  12.462  -4.463
 1228   2HA   GLY  54          HA1       GLY  54 -14.672  12.502  -3.116
 1229    H    SER  55           HN       SER  55 -14.162  13.273  -6.457
 1230    HA   SER  55           HA       SER  55 -16.386  14.734  -7.114
 1231   1HB   SER  55          HB2       SER  55 -14.491  14.048  -8.604
 1232   2HB   SER  55          HB1       SER  55 -15.278  12.480  -8.789
 1233    HG   SER  55           HG       SER  55 -17.168  13.764  -9.492
 1234    H    LEU  56           HN       LEU  56 -18.504  14.384  -7.355
 1235    HA   LEU  56           HA       LEU  56 -19.844  12.428  -6.008
 1236   1HB   LEU  56          HB2       LEU  56 -20.766  14.566  -6.979
 1237   2HB   LEU  56          HB1       LEU  56 -20.898  13.724  -8.511
 1238    HG   LEU  56           HG       LEU  56 -23.040  13.834  -7.294
 1239   1HD1  LEU  56          HD11      LEU  56 -22.097  10.984  -7.373
 1240   2HD1  LEU  56          HD12      LEU  56 -22.385  11.926  -8.835
 1241   3HD1  LEU  56          HD13      LEU  56 -23.708  11.619  -7.709
 1242   1HD2  LEU  56          HD21      LEU  56 -23.351  12.483  -5.275
 1243   2HD2  LEU  56          HD22      LEU  56 -22.187  13.783  -5.020
 1244   3HD2  LEU  56          HD23      LEU  56 -21.623  12.129  -5.251
 1245    H    ASP  57           HN       ASP  57 -19.826  12.482  -9.563
 1246    HA   ASP  57           HA       ASP  57 -20.823   9.991 -10.010
 1247   1HB   ASP  57          HB2       ASP  57 -19.353  10.015 -12.114
 1248   2HB   ASP  57          HB1       ASP  57 -20.571  11.279 -11.933
 1249    H    GLU  58           HN       GLU  58 -17.511  10.848  -9.550
 1250    HA   GLU  58           HA       GLU  58 -16.234   8.450 -10.018
 1251   1HB   GLU  58          HB2       GLU  58 -15.635  10.700  -8.108
 1252   2HB   GLU  58          HB1       GLU  58 -14.636   9.251  -8.125
 1253   1HG   GLU  58          HG2       GLU  58 -15.174  10.901 -10.572
 1254   2HG   GLU  58          HG1       GLU  58 -13.790  11.158  -9.510
 1255    H    LYS  59           HN       LYS  59 -17.829   9.626  -7.124
 1256    HA   LYS  59           HA       LYS  59 -17.232   7.430  -5.515
 1257   1HB   LYS  59          HB2       LYS  59 -19.577   9.325  -5.380
 1258   2HB   LYS  59          HB1       LYS  59 -19.097   8.218  -4.091
 1259   1HG   LYS  59          HG2       LYS  59 -17.183   9.398  -3.620
 1260   2HG   LYS  59          HG1       LYS  59 -17.130  10.178  -5.195
 1261   1HD   LYS  59          HD2       LYS  59 -17.732  11.824  -3.574
 1262   2HD   LYS  59          HD1       LYS  59 -19.166  11.457  -4.536
 1263   1HE   LYS  59          HE2       LYS  59 -19.909   9.903  -2.750
 1264   2HE   LYS  59          HE1       LYS  59 -18.535  10.427  -1.778
 1265   1HZ   LYS  59          HZ1       LYS  59 -20.554  11.604  -1.172
 1266   2HZ   LYS  59          HZ2       LYS  59 -20.725  12.181  -2.752
 1267   3HZ   LYS  59          HZ3       LYS  59 -19.410  12.675  -1.808
 1268    H    MET  60           HN       MET  60 -19.638   7.986  -7.939
 1269    HA   MET  60           HA       MET  60 -21.178   5.644  -7.214
 1270   1HB   MET  60          HB2       MET  60 -21.361   7.576  -9.525
 1271   2HB   MET  60          HB1       MET  60 -22.426   6.186  -9.347
 1272   1HG   MET  60          HG2       MET  60 -22.128   8.323  -7.255
 1273   2HG   MET  60          HG1       MET  60 -23.348   8.366  -8.528
 1274   1HE   MET  60          HE1       MET  60 -25.380   6.615  -8.697
 1275   2HE   MET  60          HE2       MET  60 -25.450   5.155  -7.710
 1276   3HE   MET  60          HE3       MET  60 -24.135   5.378  -8.864
 1277    H    LYS  61           HN       LYS  61 -18.841   6.534  -9.708
 1278    HA   LYS  61           HA       LYS  61 -19.053   3.969 -11.047
 1279   1HB   LYS  61          HB2       LYS  61 -16.629   5.477 -11.644
 1280   2HB   LYS  61          HB1       LYS  61 -17.891   4.909 -12.721
 1281   1HG   LYS  61          HG2       LYS  61 -19.257   6.894 -11.970
 1282   2HG   LYS  61          HG1       LYS  61 -17.790   7.476 -11.177
 1283   1HD   LYS  61          HD2       LYS  61 -18.030   8.498 -13.371
 1284   2HD   LYS  61          HD1       LYS  61 -16.621   7.437 -13.336
 1285   1HE   LYS  61          HE2       LYS  61 -17.950   7.205 -15.405
 1286   2HE   LYS  61          HE1       LYS  61 -17.840   5.704 -14.488
 1287   1HZ   LYS  61          HZ1       LYS  61 -20.082   6.070 -15.279
 1288   2HZ   LYS  61          HZ2       LYS  61 -20.152   7.569 -14.498
 1289   3HZ   LYS  61          HZ3       LYS  61 -20.049   6.148 -13.588
 1290    H    THR  62           HN       THR  62 -16.564   5.659  -9.172
 1291    HA   THR  62           HA       THR  62 -14.655   3.702  -9.063
 1292    HB   THR  62           HB       THR  62 -15.459   5.523  -6.790
 1293    HG1  THR  62           HG1      THR  62 -14.879   6.548  -8.842
 1294   1HG2  THR  62          HG21      THR  62 -14.021   3.807  -5.942
 1295   2HG2  THR  62          HG22      THR  62 -13.049   5.265  -6.140
 1296   3HG2  THR  62          HG23      THR  62 -12.933   3.963  -7.322
 1297    H    LEU  63           HN       LEU  63 -17.751   3.799  -7.514
 1298    HA   LEU  63           HA       LEU  63 -17.539   2.010  -5.451
 1299   1HB   LEU  63          HB2       LEU  63 -19.631   3.059  -7.081
 1300   2HB   LEU  63          HB1       LEU  63 -19.886   1.335  -6.936
 1301    HG   LEU  63           HG       LEU  63 -19.315   2.373  -4.336
 1302   1HD1  LEU  63          HD11      LEU  63 -20.159   4.430  -4.432
 1303   2HD1  LEU  63          HD12      LEU  63 -21.732   3.651  -4.592
 1304   3HD1  LEU  63          HD13      LEU  63 -20.850   4.161  -6.030
 1305   1HD2  LEU  63          HD21      LEU  63 -20.834   0.818  -3.882
 1306   2HD2  LEU  63          HD22      LEU  63 -21.065   0.574  -5.612
 1307   3HD2  LEU  63          HD23      LEU  63 -22.072   1.728  -4.741
 1308    H    ASP  64           HN       ASP  64 -18.907   0.882  -8.525
 1309    HA   ASP  64           HA       ASP  64 -18.353  -1.796  -8.177
 1310   1HB   ASP  64          HB2       ASP  64 -18.545  -0.201 -10.737
 1311   2HB   ASP  64          HB1       ASP  64 -18.541  -1.964 -10.670
 1312    H    VAL  65           HN       VAL  65 -16.292   0.753  -9.449
 1313    HA   VAL  65           HA       VAL  65 -14.249  -0.786 -10.556
 1314    HB   VAL  65           HB       VAL  65 -14.025   1.873  -9.134
 1315   1HG1  VAL  65          HG11      VAL  65 -11.943   2.174 -10.387
 1316   2HG1  VAL  65          HG12      VAL  65 -12.094   0.539 -11.031
 1317   3HG1  VAL  65          HG13      VAL  65 -11.847   0.787  -9.302
 1318   1HG2  VAL  65          HG21      VAL  65 -14.163   2.855 -11.343
 1319   2HG2  VAL  65          HG22      VAL  65 -15.578   1.846 -11.049
 1320   3HG2  VAL  65          HG23      VAL  65 -14.273   1.254 -12.074
 1321    H    ASN  66           HN       ASN  66 -14.294   0.683  -7.298
 1322    HA   ASN  66           HA       ASN  66 -12.135  -1.020  -6.423
 1323   1HB   ASN  66          HB2       ASN  66 -13.812   1.019  -4.981
 1324   2HB   ASN  66          HB1       ASN  66 -12.539   0.088  -4.206
 1325   1HD2  ASN  66          HD21      ASN  66 -10.655   0.119  -6.316
 1326   2HD2  ASN  66          HD22      ASN  66 -10.088   1.736  -6.506
 1327    H    GLN  67           HN       GLN  67 -14.770  -2.298  -7.120
 1328    HA   GLN  67           HA       GLN  67 -16.247  -3.110  -4.965
 1329   1HB   GLN  67          HB2       GLN  67 -16.769  -3.819  -7.233
 1330   2HB   GLN  67          HB1       GLN  67 -15.276  -4.752  -7.303
 1331   1HG   GLN  67          HG2       GLN  67 -17.137  -5.435  -5.117
 1332   2HG   GLN  67          HG1       GLN  67 -17.669  -5.823  -6.755
 1333   1HE2  GLN  67          HE21      GLN  67 -15.418  -6.559  -4.211
 1334   2HE2  GLN  67          HE22      GLN  67 -14.686  -7.937  -4.957
 1335    H    ASP  68           HN       ASP  68 -13.587  -4.933  -6.343
 1336    HA   ASP  68           HA       ASP  68 -13.285  -6.566  -4.002
 1337   1HB   ASP  68          HB2       ASP  68 -11.377  -6.479  -6.319
 1338   2HB   ASP  68          HB1       ASP  68 -11.791  -7.845  -5.288
 1339    H    SER  69           HN       SER  69 -12.431  -3.467  -4.301
 1340    HA   SER  69           HA       SER  69  -9.712  -3.219  -4.210
 1341   1HB   SER  69          HB2       SER  69 -11.950  -1.691  -2.970
 1342   2HB   SER  69          HB1       SER  69 -10.336  -1.387  -2.328
 1343    HG   SER  69           HG       SER  69 -10.763  -1.403  -5.105
 1344    H    GLU  70           HN       GLU  70 -11.813  -4.498  -1.753
 1345    HA   GLU  70           HA       GLU  70  -9.410  -5.004  -0.122
 1346   1HB   GLU  70          HB2       GLU  70 -10.816  -3.920   1.383
 1347   2HB   GLU  70          HB1       GLU  70 -12.236  -4.640   0.667
 1348   1HG   GLU  70          HG2       GLU  70 -11.713  -6.792   1.625
 1349   2HG   GLU  70          HG1       GLU  70 -10.205  -6.161   2.268
 1350    H    LEU  71           HN       LEU  71  -9.254  -7.104   0.832
 1351    HA   LEU  71           HA       LEU  71 -11.023  -9.059  -0.303
 1352   1HB   LEU  71          HB2       LEU  71  -9.282  -8.838  -1.828
 1353   2HB   LEU  71          HB1       LEU  71  -8.072  -8.858  -0.572
 1354    HG   LEU  71           HG       LEU  71  -8.307 -10.851  -1.915
 1355   1HD1  LEU  71          HD11      LEU  71  -7.163 -11.791  -0.335
 1356   2HD1  LEU  71          HD12      LEU  71  -8.664 -12.208   0.456
 1357   3HD1  LEU  71          HD13      LEU  71  -7.874 -10.689   0.832
 1358   1HD2  LEU  71          HD21      LEU  71 -10.518 -11.081  -2.343
 1359   2HD2  LEU  71          HD22      LEU  71 -10.934 -10.931  -0.674
 1360   3HD2  LEU  71          HD23      LEU  71 -10.173 -12.369  -1.249
 1361    H    ARG  72           HN       ARG  72 -11.444 -10.753   0.927
 1362    HA   ARG  72           HA       ARG  72  -9.891 -11.263   3.360
 1363   1HB   ARG  72          HB2       ARG  72 -12.575 -12.472   2.867
 1364   2HB   ARG  72          HB1       ARG  72 -11.821 -12.056   4.393
 1365   1HG   ARG  72          HG2       ARG  72 -13.176 -10.250   2.427
 1366   2HG   ARG  72          HG1       ARG  72 -13.635 -10.588   4.096
 1367   1HD   ARG  72          HD2       ARG  72 -11.491  -8.837   3.021
 1368   2HD   ARG  72          HD1       ARG  72 -12.633  -8.551   4.326
 1369    HE   ARG  72           HE       ARG  72 -11.106 -10.497   5.352
 1370   1HH1  ARG  72          HH11      ARG  72 -10.321  -7.491   3.790
 1371   2HH1  ARG  72          HH12      ARG  72  -8.850  -7.269   4.672
 1372   1HH2  ARG  72          HH21      ARG  72  -9.176 -10.221   6.520
 1373   2HH2  ARG  72          HH22      ARG  72  -8.193  -8.827   6.226
 1374    H    PHE  73           HN       PHE  73 -11.164 -12.532   0.366
 1375    HA   PHE  73           HA       PHE  73  -9.992 -15.120   0.823
 1376   1HB   PHE  73          HB2       PHE  73 -11.349 -15.958  -0.907
 1377   2HB   PHE  73          HB1       PHE  73 -12.331 -14.901   0.031
 1378    HD1  PHE  73           HD1      PHE  73 -11.714 -15.983  -3.157
 1379    HD2  PHE  73           HD2      PHE  73 -12.380 -12.363  -1.046
 1380    HE1  PHE  73           HE1      PHE  73 -12.489 -14.899  -5.221
 1381    HE2  PHE  73           HE2      PHE  73 -13.132 -11.273  -3.062
 1382    HZ   PHE  73           HZ       PHE  73 -13.210 -12.543  -5.185
 1383    H    SER  74           HN       SER  74  -9.918 -13.833  -2.573
 1384    HA   SER  74           HA       SER  74  -7.009 -14.145  -2.379
 1385   1HB   SER  74          HB2       SER  74  -7.285 -14.749  -4.946
 1386   2HB   SER  74          HB1       SER  74  -7.354 -15.981  -3.687
 1387    HG   SER  74           HG       SER  74  -9.187 -16.374  -4.714
 1388    H    GLU  75           HN       GLU  75  -9.524 -12.187  -3.443
 1389    HA   GLU  75           HA       GLU  75  -8.245 -10.688  -5.440
 1390   1HB   GLU  75          HB2       GLU  75 -10.312  -9.771  -3.453
 1391   2HB   GLU  75          HB1       GLU  75  -9.962  -9.018  -5.003
 1392   1HG   GLU  75          HG2       GLU  75 -10.824 -11.872  -4.851
 1393   2HG   GLU  75          HG1       GLU  75 -12.008 -10.568  -4.787
 1394    H    TYR  76           HN       TYR  76  -6.618 -11.022  -2.767
 1395    HA   TYR  76           HA       TYR  76  -6.470  -8.567  -1.571
 1396   1HB   TYR  76          HB2       TYR  76  -4.872 -11.018  -1.509
 1397   2HB   TYR  76          HB1       TYR  76  -3.936  -9.564  -1.173
 1398    HD1  TYR  76           HD1      TYR  76  -4.681 -11.974   0.666
 1399    HD2  TYR  76           HD2      TYR  76  -6.311  -8.088   0.185
 1400    HE1  TYR  76           HE1      TYR  76  -5.560 -12.050   2.952
 1401    HE2  TYR  76           HE2      TYR  76  -7.191  -8.152   2.431
 1402    HH   TYR  76           HH       TYR  76  -7.816  -9.822   4.134
 1403    H    TRP  77           HN       TRP  77  -5.156  -9.765  -4.489
 1404    HA   TRP  77           HA       TRP  77  -3.138  -7.858  -5.011
 1405   1HB   TRP  77          HB2       TRP  77  -3.583  -8.284  -7.375
 1406   2HB   TRP  77          HB1       TRP  77  -3.718  -9.806  -6.492
 1407    HD1  TRP  77           HD1      TRP  77  -6.153  -6.985  -7.620
 1408    HE1  TRP  77           HE1      TRP  77  -8.325  -8.097  -8.375
 1409    HE3  TRP  77           HE3      TRP  77  -4.988 -11.856  -6.612
 1410    HZ2  TRP  77           HZ2      TRP  77  -9.438 -10.695  -8.515
 1411    HZ3  TRP  77           HZ3      TRP  77  -6.663 -13.591  -7.057
 1412    HH2  TRP  77           HH2      TRP  77  -8.846 -13.024  -7.990
 1413    H    ARG  78           HN       ARG  78  -6.534  -7.444  -4.631
 1414    HA   ARG  78           HA       ARG  78  -6.793  -5.085  -6.073
 1415   1HB   ARG  78          HB2       ARG  78  -8.430  -6.198  -3.809
 1416   2HB   ARG  78          HB1       ARG  78  -8.915  -4.847  -4.840
 1417   1HG   ARG  78          HG2       ARG  78  -8.239  -7.562  -5.904
 1418   2HG   ARG  78          HG1       ARG  78  -9.853  -7.073  -5.410
 1419   1HD   ARG  78          HD2       ARG  78  -8.163  -5.815  -7.559
 1420   2HD   ARG  78          HD1       ARG  78  -9.619  -6.780  -7.802
 1421    HE   ARG  78           HE       ARG  78 -10.371  -4.669  -6.205
 1422   1HH1  ARG  78          HH11      ARG  78  -8.980  -5.083  -9.373
 1423   2HH1  ARG  78          HH12      ARG  78  -9.675  -3.630 -10.010
 1424   1HH2  ARG  78          HH21      ARG  78 -11.287  -2.752  -7.032
 1425   2HH2  ARG  78          HH22      ARG  78 -10.988  -2.305  -8.679
 1426    H    LEU  79           HN       LEU  79  -5.974  -5.748  -2.647
 1427    HA   LEU  79           HA       LEU  79  -6.131  -3.078  -1.778
 1428   1HB   LEU  79          HB2       LEU  79  -3.953  -4.652  -0.627
 1429   2HB   LEU  79          HB1       LEU  79  -5.224  -3.776   0.177
 1430    HG   LEU  79           HG       LEU  79  -5.368  -6.563  -0.956
 1431   1HD1  LEU  79          HD11      LEU  79  -4.773  -5.391   1.663
 1432   2HD1  LEU  79          HD12      LEU  79  -4.399  -6.989   1.020
 1433   3HD1  LEU  79          HD13      LEU  79  -5.995  -6.661   1.692
 1434   1HD2  LEU  79          HD21      LEU  79  -7.600  -6.655  -0.041
 1435   2HD2  LEU  79          HD22      LEU  79  -7.484  -5.374  -1.245
 1436   3HD2  LEU  79          HD23      LEU  79  -7.485  -4.972   0.472
 1437    H    ILE  80           HN       ILE  80  -3.966  -4.754  -3.808
 1438    HA   ILE  80           HA       ILE  80  -1.567  -3.553  -3.517
 1439    HB   ILE  80           HB       ILE  80  -2.525  -5.334  -5.252
 1440   1HG1  ILE  80          HG12      ILE  80  -0.196  -3.480  -5.874
 1441   2HG1  ILE  80          HG11      ILE  80  -0.153  -4.854  -4.772
 1442   1HG2  ILE  80          HG21      ILE  80  -3.847  -3.793  -6.587
 1443   2HG2  ILE  80          HG22      ILE  80  -2.511  -4.415  -7.553
 1444   3HG2  ILE  80          HG23      ILE  80  -2.437  -2.782  -6.893
 1445   1HD1  ILE  80          HD11      ILE  80   0.837  -5.370  -6.943
 1446   2HD1  ILE  80          HD12      ILE  80  -0.700  -5.005  -7.726
 1447   3HD1  ILE  80          HD13      ILE  80  -0.579  -6.368  -6.613
 1448    H    GLY  81           HN       GLY  81  -4.246  -2.274  -5.514
 1449   1HA   GLY  81          HA2       GLY  81  -2.897   0.273  -5.825
 1450   2HA   GLY  81          HA1       GLY  81  -4.463  -0.168  -6.487
 1451    H    GLU  82           HN       GLU  82  -4.724  -1.072  -3.375
 1452    HA   GLU  82           HA       GLU  82  -6.303   1.205  -2.700
 1453   1HB   GLU  82          HB2       GLU  82  -5.699  -1.290  -1.212
 1454   2HB   GLU  82          HB1       GLU  82  -6.814  -0.066  -0.639
 1455   1HG   GLU  82          HG2       GLU  82  -7.094  -1.878  -3.005
 1456   2HG   GLU  82          HG1       GLU  82  -8.161  -1.709  -1.613
 1457    H    LEU  83           HN       LEU  83  -3.626  -0.497  -1.117
 1458    HA   LEU  83           HA       LEU  83  -3.213   1.368   0.916
 1459   1HB   LEU  83          HB2       LEU  83  -1.289  -0.508  -0.455
 1460   2HB   LEU  83          HB1       LEU  83  -0.831   0.494   0.910
 1461    HG   LEU  83           HG       LEU  83  -2.676  -0.633   2.222
 1462   1HD1  LEU  83          HD11      LEU  83  -3.335  -2.883   1.342
 1463   2HD1  LEU  83          HD12      LEU  83  -2.685  -2.389  -0.221
 1464   3HD1  LEU  83          HD13      LEU  83  -4.040  -1.511   0.488
 1465   1HD2  LEU  83          HD21      LEU  83  -1.342  -2.739   2.517
 1466   2HD2  LEU  83          HD22      LEU  83  -0.420  -1.242   2.651
 1467   3HD2  LEU  83          HD23      LEU  83  -0.333  -2.203   1.176
 1468    H    ALA  84           HN       ALA  84  -2.652   1.546  -2.452
 1469    HA   ALA  84           HA       ALA  84  -0.763   3.655  -2.254
 1470   1HB   ALA  84          HB1       ALA  84  -2.338   2.423  -4.452
 1471   2HB   ALA  84          HB2       ALA  84  -0.592   2.605  -4.281
 1472   3HB   ALA  84          HB3       ALA  84  -1.588   3.993  -4.721
 1473    H    LYS  85           HN       LYS  85  -4.315   3.513  -2.507
 1474    HA   LYS  85           HA       LYS  85  -4.953   6.064  -3.249
 1475   1HB   LYS  85          HB2       LYS  85  -6.299   4.537  -1.032
 1476   2HB   LYS  85          HB1       LYS  85  -6.969   5.928  -1.856
 1477   1HG   LYS  85          HG2       LYS  85  -7.571   4.741  -3.661
 1478   2HG   LYS  85          HG1       LYS  85  -6.142   3.706  -3.592
 1479   1HD   LYS  85          HD2       LYS  85  -8.119   2.388  -3.135
 1480   2HD   LYS  85          HD1       LYS  85  -7.140   2.520  -1.671
 1481   1HE   LYS  85          HE2       LYS  85  -8.600   4.434  -1.001
 1482   2HE   LYS  85          HE1       LYS  85  -9.669   3.984  -2.333
 1483   1HZ   LYS  85          HZ1       LYS  85 -10.578   2.856  -0.557
 1484   2HZ   LYS  85          HZ2       LYS  85  -9.079   2.497   0.137
 1485   3HZ   LYS  85          HZ3       LYS  85  -9.590   1.667  -1.245
 1486    H    GLU  86           HN       GLU  86  -3.580   5.055  -0.305
 1487    HA   GLU  86           HA       GLU  86  -3.851   7.620   0.996
 1488   1HB   GLU  86          HB2       GLU  86  -2.415   6.570   2.755
 1489   2HB   GLU  86          HB1       GLU  86  -3.907   5.685   2.436
 1490   1HG   GLU  86          HG2       GLU  86  -2.693   4.115   1.080
 1491   2HG   GLU  86          HG1       GLU  86  -1.215   5.054   1.296
 1492    H    VAL  87           HN       VAL  87  -1.389   5.738  -0.638
 1493    HA   VAL  87           HA       VAL  87   0.727   7.571  -0.016
 1494    HB   VAL  87           HB       VAL  87   0.691   5.225  -1.915
 1495   1HG1  VAL  87          HG11      VAL  87   3.034   5.416  -2.014
 1496   2HG1  VAL  87          HG12      VAL  87   3.071   6.644  -0.758
 1497   3HG1  VAL  87          HG13      VAL  87   2.409   7.022  -2.346
 1498   1HG2  VAL  87          HG21      VAL  87   0.327   4.440   0.296
 1499   2HG2  VAL  87          HG22      VAL  87   1.535   5.540   0.958
 1500   3HG2  VAL  87          HG23      VAL  87   2.036   4.186  -0.056
 1501    H    ARG  88           HN       ARG  88  -1.535   7.203  -2.623
 1502    HA   ARG  88           HA       ARG  88  -0.138   8.425  -4.695
 1503   1HB   ARG  88          HB2       ARG  88  -2.486   7.281  -4.642
 1504   2HB   ARG  88          HB1       ARG  88  -3.072   8.907  -4.315
 1505   1HG   ARG  88          HG2       ARG  88  -2.079   9.704  -6.382
 1506   2HG   ARG  88          HG1       ARG  88  -1.432   8.094  -6.704
 1507   1HD   ARG  88          HD2       ARG  88  -3.724   7.206  -6.763
 1508   2HD   ARG  88          HD1       ARG  88  -4.348   8.831  -6.488
 1509    HE   ARG  88           HE       ARG  88  -2.660   8.812  -8.750
 1510   1HH1  ARG  88          HH11      ARG  88  -5.808   7.767  -7.692
 1511   2HH1  ARG  88          HH12      ARG  88  -6.510   7.850  -9.274
 1512   1HH2  ARG  88          HH21      ARG  88  -3.572   8.924 -10.837
 1513   2HH2  ARG  88          HH22      ARG  88  -5.239   8.508 -11.062
 1514    H    LYS  89           HN       LYS  89  -2.669  10.035  -2.785
 1515    HA   LYS  89           HA       LYS  89  -2.069  12.631  -3.533
 1516   1HB   LYS  89          HB2       LYS  89  -3.551  13.280  -1.892
 1517   2HB   LYS  89          HB1       LYS  89  -3.999  11.593  -2.069
 1518   1HG   LYS  89          HG2       LYS  89  -3.908  11.726   0.188
 1519   2HG   LYS  89          HG1       LYS  89  -2.201  11.284  -0.084
 1520   1HD   LYS  89          HD2       LYS  89  -1.972  13.919  -0.299
 1521   2HD   LYS  89          HD1       LYS  89  -3.425  13.899   0.701
 1522   1HE   LYS  89          HE2       LYS  89  -2.324  13.120   2.510
 1523   2HE   LYS  89          HE1       LYS  89  -1.269  12.096   1.546
 1524   1HZ   LYS  89          HZ1       LYS  89   0.015  13.815   2.560
 1525   2HZ   LYS  89          HZ2       LYS  89  -1.004  15.015   1.943
 1526   3HZ   LYS  89          HZ3       LYS  89  -0.048  14.100   0.893
 1527    H    GLU  90           HN       GLU  90  -0.719  10.604  -1.080
 1528    HA   GLU  90           HA       GLU  90   0.748  12.407   0.418
 1529   1HB   GLU  90          HB2       GLU  90   0.896   9.503  -0.204
 1530   2HB   GLU  90          HB1       GLU  90   2.229  10.233   0.690
 1531   1HG   GLU  90          HG2       GLU  90  -0.685  10.323   1.478
 1532   2HG   GLU  90          HG1       GLU  90   0.522   9.205   2.134
 1533    H    LYS  91           HN       LYS  91   1.286  11.180  -2.760
 1534    HA   LYS  91           HA       LYS  91   4.014  11.387  -3.067
 1535   1HB   LYS  91          HB2       LYS  91   3.648  11.442  -5.370
 1536   2HB   LYS  91          HB1       LYS  91   2.265  10.578  -4.727
 1537   1HG   LYS  91          HG2       LYS  91   0.918  12.618  -4.903
 1538   2HG   LYS  91          HG1       LYS  91   2.313  13.469  -5.568
 1539   1HD   LYS  91          HD2       LYS  91   2.371  11.842  -7.429
 1540   2HD   LYS  91          HD1       LYS  91   0.912  11.089  -6.784
 1541   1HE   LYS  91          HE2       LYS  91  -0.333  13.132  -7.115
 1542   2HE   LYS  91          HE1       LYS  91   1.126  13.973  -7.638
 1543   1HZ   LYS  91          HZ1       LYS  91  -0.157  11.687  -9.036
 1544   2HZ   LYS  91          HZ2       LYS  91   1.256  12.472  -9.535
 1545   3HZ   LYS  91          HZ3       LYS  91  -0.216  13.307  -9.523
 1546    H    ALA  92           HN       ALA  92   1.603  13.948  -3.464
 1547    HA   ALA  92           HA       ALA  92   3.632  15.921  -4.022
 1548   1HB   ALA  92          HB1       ALA  92   1.773  17.496  -4.176
 1549   2HB   ALA  92          HB2       ALA  92   0.673  16.249  -3.585
 1550   3HB   ALA  92          HB3       ALA  92   1.486  16.044  -5.136
 1551    H    LEU  93           HN       LEU  93   1.667  15.107  -1.177
 1552    HA   LEU  93           HA       LEU  93   2.517  17.500   0.184
 1553   1HB   LEU  93          HB2       LEU  93   0.343  16.103   0.550
 1554   2HB   LEU  93          HB1       LEU  93   1.370  15.173   1.634
 1555    HG   LEU  93           HG       LEU  93   1.925  17.717   2.433
 1556   1HD1  LEU  93          HD11      LEU  93   0.224  18.663   0.968
 1557   2HD1  LEU  93          HD12      LEU  93  -0.199  18.895   2.664
 1558   3HD1  LEU  93          HD13      LEU  93  -1.003  17.642   1.719
 1559   1HD2  LEU  93          HD21      LEU  93  -0.282  15.941   3.474
 1560   2HD2  LEU  93          HD22      LEU  93   0.523  17.230   4.366
 1561   3HD2  LEU  93          HD23      LEU  93   1.429  15.801   3.872
 1562    H    GLY  94           HN       GLY  94   3.748  14.284  -0.134
 1563   1HA   GLY  94          HA2       GLY  94   5.095  13.758   2.168
 1564   2HA   GLY  94          HA1       GLY  94   5.797  13.457   0.582
 1565    H    ILE  95           HN       ILE  95   6.187  15.980  -0.357
 1566    HA   ILE  95           HA       ILE  95   8.592  16.719   0.830
 1567    HB   ILE  95           HB       ILE  95   8.350  18.832  -0.529
 1568   1HG1  ILE  95          HG12      ILE  95   5.917  17.422  -1.617
 1569   2HG1  ILE  95          HG11      ILE  95   5.842  18.808  -0.535
 1570   1HG2  ILE  95          HG21      ILE  95   8.704  17.671  -2.627
 1571   2HG2  ILE  95          HG22      ILE  95   8.064  16.199  -1.901
 1572   3HG2  ILE  95          HG23      ILE  95   9.558  16.906  -1.286
 1573   1HD1  ILE  95          HD11      ILE  95   5.510  19.464  -2.849
 1574   2HD1  ILE  95          HD12      ILE  95   7.077  18.777  -3.279
 1575   3HD1  ILE  95          HD13      ILE  95   6.990  20.168  -2.198
 1576    H    ARG  96           HN       ARG  96   8.009  16.867   3.052
 1577    HA   ARG  96           HA       ARG  96   6.314  18.999   3.966
 1578   1HB   ARG  96          HB2       ARG  96   6.937  18.336   6.174
 1579   2HB   ARG  96          HB1       ARG  96   6.758  16.862   5.234
 1580   1HG   ARG  96          HG2       ARG  96   8.712  16.364   6.242
 1581   2HG   ARG  96          HG1       ARG  96   9.369  17.266   4.874
 1582   1HD   ARG  96          HD2       ARG  96  10.436  18.101   6.824
 1583   2HD   ARG  96          HD1       ARG  96   9.268  19.321   6.318
 1584    HE   ARG  96           HE       ARG  96   8.194  17.505   8.248
 1585   1HH1  ARG  96          HH11      ARG  96  10.130  20.369   7.833
 1586   2HH1  ARG  96          HH12      ARG  96   9.800  20.979   9.419
 1587   1HH2  ARG  96          HH21      ARG  96   7.752  18.298  10.339
 1588   2HH2  ARG  96          HH22      ARG  96   8.448  19.801  10.846
 1589    H    LYS  97           HN       LYS  97   9.494  18.722   2.841
 1590    HA   LYS  97           HA       LYS  97  10.419  21.127   4.165
 1591   1HB   LYS  97          HB2       LYS  97  12.563  20.554   2.907
 1592   2HB   LYS  97          HB1       LYS  97  12.062  19.426   4.163
 1593   1HG   LYS  97          HG2       LYS  97  11.183  17.904   2.535
 1594   2HG   LYS  97          HG1       LYS  97  11.458  19.069   1.238
 1595   1HD   LYS  97          HD2       LYS  97  13.846  18.875   1.547
 1596   2HD   LYS  97          HD1       LYS  97  13.602  17.803   2.933
 1597   1HE   LYS  97          HE2       LYS  97  13.879  16.211   1.336
 1598   2HE   LYS  97          HE1       LYS  97  12.135  16.489   1.146
 1599   1HZ   LYS  97          HZ1       LYS  97  13.390  16.479  -0.974
 1600   2HZ   LYS  97          HZ2       LYS  97  14.231  17.856  -0.464
 1601   3HZ   LYS  97          HZ3       LYS  97  12.558  17.926  -0.697
 1602    H    LYS  98           HN       LYS  98   8.970  22.557   3.096
 1603    HA   LYS  98           HA       LYS  98   9.558  22.972   0.245
 1604   1HB   LYS  98          HB2       LYS  98   7.140  23.706   1.896
 1605   2HB   LYS  98          HB1       LYS  98   7.399  24.279   0.254
 1606   1HG   LYS  98          HG2       LYS  98   7.367  21.999  -0.576
 1607   2HG   LYS  98          HG1       LYS  98   7.178  21.380   1.066
 1608   1HD   LYS  98          HD2       LYS  98   5.047  22.616   1.249
 1609   2HD   LYS  98          HD1       LYS  98   5.234  23.145  -0.424
 1610   1HE   LYS  98          HE2       LYS  98   5.170  20.839  -1.183
 1611   2HE   LYS  98          HE1       LYS  98   5.061  20.273   0.483
 1612   1HZ   LYS  98          HZ1       LYS  98   2.896  20.299  -0.588
 1613   2HZ   LYS  98          HZ2       LYS  98   3.044  21.953  -0.908
 1614   3HZ   LYS  98          HZ3       LYS  98   2.937  21.409   0.690
  Start of MODEL    6
    1   1H    MET   1          HT1       MET   1 -18.282   3.795  -1.691
    2   2H    MET   1          HT2       MET   1 -19.163   4.120  -3.098
    3   3H    MET   1          HT3       MET   1 -19.730   4.667  -1.602
    4    HA   MET   1           HA       MET   1 -18.753   6.461  -2.881
    5   1HB   MET   1          HB2       MET   1 -17.596   5.543  -0.308
    6   2HB   MET   1          HB1       MET   1 -16.807   6.876  -1.103
    7   1HG   MET   1          HG2       MET   1 -18.882   7.025   0.656
    8   2HG   MET   1          HG1       MET   1 -18.349   8.317  -0.349
    9   1HE   MET   1          HE1       MET   1 -20.957   9.364  -0.018
   10   2HE   MET   1          HE2       MET   1 -21.271   7.954   0.993
   11   3HE   MET   1          HE3       MET   1 -22.382   8.369  -0.313
   12    H    ALA   2           HN       ALA   2 -16.511   7.511  -3.129
   13    HA   ALA   2           HA       ALA   2 -14.807   5.583  -4.540
   14   1HB   ALA   2          HB1       ALA   2 -15.134   8.532  -5.078
   15   2HB   ALA   2          HB2       ALA   2 -15.819   7.228  -6.043
   16   3HB   ALA   2          HB3       ALA   2 -14.073   7.437  -5.960
   17    H    ALA   3           HN       ALA   3 -12.696   5.432  -4.013
   18    HA   ALA   3           HA       ALA   3 -11.819   6.751  -1.656
   19   1HB   ALA   3          HB1       ALA   3  -9.761   5.596  -3.416
   20   2HB   ALA   3          HB2       ALA   3 -11.040   4.488  -2.931
   21   3HB   ALA   3          HB3       ALA   3 -10.076   5.309  -1.705
   22    H    GLU   4           HN       GLU   4 -12.263   8.901  -2.259
   23    HA   GLU   4           HA       GLU   4 -11.057  10.168  -4.468
   24   1HB   GLU   4          HB2       GLU   4 -11.742  12.280  -3.251
   25   2HB   GLU   4          HB1       GLU   4 -13.006  11.134  -3.665
   26   1HG   GLU   4          HG2       GLU   4 -13.692  11.208  -1.576
   27   2HG   GLU   4          HG1       GLU   4 -12.186  10.425  -1.096
   28    H    THR   5           HN       THR   5 -10.343  11.033  -1.061
   29    HA   THR   5           HA       THR   5  -7.684  11.723  -1.923
   30    HB   THR   5           HB       THR   5  -8.903  12.006   0.821
   31    HG1  THR   5           HG1      THR   5 -10.062  13.450  -0.180
   32   1HG2  THR   5          HG21      THR   5  -6.452  13.159  -0.502
   33   2HG2  THR   5          HG22      THR   5  -6.509  12.132   0.927
   34   3HG2  THR   5          HG23      THR   5  -7.117  13.775   0.997
   35    H    LEU   6           HN       LEU   6  -7.652  10.736   1.346
   36    HA   LEU   6           HA       LEU   6  -6.079   8.373   0.625
   37   1HB   LEU   6          HB2       LEU   6  -5.988  10.377   2.844
   38   2HB   LEU   6          HB1       LEU   6  -5.370   8.773   3.125
   39    HG   LEU   6           HG       LEU   6  -4.195   9.723   0.726
   40   1HD1  LEU   6          HD11      LEU   6  -4.948  11.927   2.047
   41   2HD1  LEU   6          HD12      LEU   6  -3.464  11.830   1.105
   42   3HD1  LEU   6          HD13      LEU   6  -3.412  11.611   2.854
   43   1HD2  LEU   6          HD21      LEU   6  -2.188   9.245   1.827
   44   2HD2  LEU   6          HD22      LEU   6  -3.360   8.129   2.516
   45   3HD2  LEU   6          HD23      LEU   6  -2.883   9.567   3.413
   46    H    THR   7           HN       THR   7  -7.353   6.558   0.869
   47    HA   THR   7           HA       THR   7  -9.589   6.487   2.584
   48    HB   THR   7           HB       THR   7  -8.875   3.833   2.328
   49    HG1  THR   7           HG1      THR   7  -7.880   3.565   0.410
   50   1HG2  THR   7          HG21      THR   7 -10.392   5.395   0.249
   51   2HG2  THR   7          HG22      THR   7 -11.058   4.970   1.826
   52   3HG2  THR   7          HG23      THR   7 -10.595   3.701   0.690
   53    H    GLU   8           HN       GLU   8  -9.825   4.882   4.398
   54    HA   GLU   8           HA       GLU   8  -8.453   5.547   6.609
   55   1HB   GLU   8          HB2       GLU   8  -9.229   2.679   6.152
   56   2HB   GLU   8          HB1       GLU   8  -9.165   3.563   7.669
   57   1HG   GLU   8          HG2       GLU   8 -11.146   3.914   5.442
   58   2HG   GLU   8          HG1       GLU   8 -11.444   3.271   7.057
   59    H    LEU   9           HN       LEU   9  -7.336   3.401   4.124
   60    HA   LEU   9           HA       LEU   9  -5.306   2.024   5.340
   61   1HB   LEU   9          HB2       LEU   9  -5.109   3.279   2.630
   62   2HB   LEU   9          HB1       LEU   9  -4.383   1.778   3.154
   63    HG   LEU   9           HG       LEU   9  -7.223   2.376   2.425
   64   1HD1  LEU   9          HD11      LEU   9  -6.734   0.039   1.319
   65   2HD1  LEU   9          HD12      LEU   9  -5.065   0.589   1.467
   66   3HD1  LEU   9          HD13      LEU   9  -6.236   1.552   0.570
   67   1HD2  LEU   9          HD21      LEU   9  -7.362  -0.198   3.271
   68   2HD2  LEU   9          HD22      LEU   9  -7.895   1.203   4.191
   69   3HD2  LEU   9          HD23      LEU   9  -6.310   0.519   4.493
   70    H    GLU  10           HN       GLU  10  -5.467   5.420   4.561
   71    HA   GLU  10           HA       GLU  10  -2.834   6.204   4.433
   72   1HB   GLU  10          HB2       GLU  10  -3.738   8.204   5.973
   73   2HB   GLU  10          HB1       GLU  10  -4.148   8.060   4.278
   74   1HG   GLU  10          HG2       GLU  10  -6.287   7.804   4.698
   75   2HG   GLU  10          HG1       GLU  10  -5.986   6.611   5.960
   76    H    ALA  11           HN       ALA  11  -4.786   5.541   7.328
   77    HA   ALA  11           HA       ALA  11  -2.917   6.109   9.306
   78   1HB   ALA  11          HB1       ALA  11  -4.204   4.769  10.772
   79   2HB   ALA  11          HB2       ALA  11  -4.800   3.764   9.451
   80   3HB   ALA  11          HB3       ALA  11  -5.349   5.430   9.606
   81    H    ALA  12           HN       ALA  12  -3.284   3.318   7.235
   82    HA   ALA  12           HA       ALA  12  -1.337   1.694   8.510
   83   1HB   ALA  12          HB1       ALA  12  -2.154   1.567   5.611
   84   2HB   ALA  12          HB2       ALA  12  -3.108   0.880   6.924
   85   3HB   ALA  12          HB3       ALA  12  -1.485   0.271   6.603
   86    H    ILE  13           HN       ILE  13  -1.252   4.265   6.167
   87    HA   ILE  13           HA       ILE  13   1.217   3.887   5.023
   88    HB   ILE  13           HB       ILE  13  -0.616   5.786   4.717
   89   1HG1  ILE  13          HG12      ILE  13   1.219   5.163   3.173
   90   2HG1  ILE  13          HG11      ILE  13   0.913   6.898   3.203
   91   1HG2  ILE  13          HG21      ILE  13   1.541   7.458   5.932
   92   2HG2  ILE  13          HG22      ILE  13   0.232   6.840   6.936
   93   3HG2  ILE  13          HG23      ILE  13  -0.129   7.882   5.560
   94   1HD1  ILE  13          HD11      ILE  13   3.189   5.396   4.462
   95   2HD1  ILE  13          HD12      ILE  13   2.826   7.083   4.830
   96   3HD1  ILE  13          HD13      ILE  13   3.253   6.610   3.185
   97    H    GLU  14           HN       GLU  14   0.392   4.763   8.246
   98    HA   GLU  14           HA       GLU  14   2.844   5.951   9.034
   99   1HB   GLU  14          HB2       GLU  14   0.693   4.617  10.683
  100   2HB   GLU  14          HB1       GLU  14   2.010   5.582  11.336
  101   1HG   GLU  14          HG2       GLU  14   1.183   7.535  10.136
  102   2HG   GLU  14          HG1       GLU  14  -0.132   6.570   9.465
  103    H    THR  15           HN       THR  15   1.618   2.620   9.079
  104    HA   THR  15           HA       THR  15   3.822   1.590  10.592
  105    HB   THR  15           HB       THR  15   2.008   0.106   8.677
  106    HG1  THR  15           HG1      THR  15   0.943  -0.476  10.705
  107   1HG2  THR  15          HG21      THR  15   3.780  -0.884  10.911
  108   2HG2  THR  15          HG22      THR  15   4.033  -1.139   9.185
  109   3HG2  THR  15          HG23      THR  15   2.648  -1.877   9.991
  110    H    VAL  16           HN       VAL  16   2.938   1.220   7.195
  111    HA   VAL  16           HA       VAL  16   5.219   0.078   6.194
  112    HB   VAL  16           HB       VAL  16   3.221   0.294   4.871
  113   1HG1  VAL  16          HG11      VAL  16   3.734   3.263   4.968
  114   2HG1  VAL  16          HG12      VAL  16   2.411   2.394   5.742
  115   3HG1  VAL  16          HG13      VAL  16   2.501   2.476   3.985
  116   1HG2  VAL  16          HG21      VAL  16   4.792   0.078   3.253
  117   2HG2  VAL  16          HG22      VAL  16   5.748   1.435   3.825
  118   3HG2  VAL  16          HG23      VAL  16   4.304   1.718   2.859
  119    H    VAL  17           HN       VAL  17   4.580   3.505   6.795
  120    HA   VAL  17           HA       VAL  17   6.995   4.372   5.538
  121    HB   VAL  17           HB       VAL  17   4.964   5.806   5.753
  122   1HG1  VAL  17          HG11      VAL  17   5.882   6.247   8.587
  123   2HG1  VAL  17          HG12      VAL  17   4.516   5.230   8.140
  124   3HG1  VAL  17          HG13      VAL  17   4.478   6.956   7.789
  125   1HG2  VAL  17          HG21      VAL  17   7.557   6.902   6.825
  126   2HG2  VAL  17          HG22      VAL  17   6.227   7.879   6.203
  127   3HG2  VAL  17          HG23      VAL  17   7.086   6.772   5.131
  128    H    SER  18           HN       SER  18   6.006   3.573   8.806
  129    HA   SER  18           HA       SER  18   8.401   4.606  10.033
  130   1HB   SER  18          HB2       SER  18   7.465   3.669  12.114
  131   2HB   SER  18          HB1       SER  18   6.282   4.655  11.253
  132    HG   SER  18           HG       SER  18   5.651   2.459  12.090
  133    H    THR  19           HN       THR  19   7.539   1.655   8.544
  134    HA   THR  19           HA       THR  19   9.408   0.081  10.080
  135    HB   THR  19           HB       THR  19   8.812  -1.778   8.544
  136    HG1  THR  19           HG1      THR  19   7.458   0.320   7.238
  137   1HG2  THR  19          HG21      THR  19   7.537  -1.620  10.535
  138   2HG2  THR  19          HG22      THR  19   6.374  -1.859   9.231
  139   3HG2  THR  19          HG23      THR  19   6.610  -0.253   9.919
  140    H    PHE  20           HN       PHE  20   9.236  -0.088   6.619
  141    HA   PHE  20           HA       PHE  20  12.086  -0.424   6.378
  142   1HB   PHE  20          HB2       PHE  20  10.933  -1.952   5.076
  143   2HB   PHE  20          HB1       PHE  20   9.643  -0.812   4.742
  144    HD1  PHE  20           HD1      PHE  20   9.397  -0.173   2.592
  145    HD2  PHE  20           HD2      PHE  20  13.279  -1.152   4.003
  146    HE1  PHE  20           HE1      PHE  20  10.305   0.225   0.340
  147    HE2  PHE  20           HE2      PHE  20  14.195  -0.776   1.759
  148    HZ   PHE  20           HZ       PHE  20  12.704  -0.066  -0.075
  149    H    PHE  21           HN       PHE  21   9.640   1.851   5.621
  150    HA   PHE  21           HA       PHE  21  11.140   3.497   3.918
  151   1HB   PHE  21          HB2       PHE  21   8.681   3.829   5.582
  152   2HB   PHE  21          HB1       PHE  21   9.276   5.140   4.574
  153    HD1  PHE  21           HD1      PHE  21   9.996   1.996   3.103
  154    HD2  PHE  21           HD2      PHE  21   6.842   4.817   3.641
  155    HE1  PHE  21           HE1      PHE  21   8.771   1.013   1.208
  156    HE2  PHE  21           HE2      PHE  21   5.627   3.812   1.767
  157    HZ   PHE  21           HZ       PHE  21   6.589   1.919   0.540
  158    H    THR  22           HN       THR  22  11.166   3.012   7.297
  159    HA   THR  22           HA       THR  22  12.203   5.623   7.910
  160    HB   THR  22           HB       THR  22  12.937   4.619  10.049
  161    HG1  THR  22           HG1      THR  22  13.199   2.528   9.033
  162   1HG2  THR  22          HG21      THR  22  10.096   4.156   9.172
  163   2HG2  THR  22          HG22      THR  22  10.757   5.631   9.871
  164   3HG2  THR  22          HG23      THR  22  10.633   4.178  10.856
  165    H    PHE  23           HN       PHE  23  13.467   2.786   6.472
  166    HA   PHE  23           HA       PHE  23  16.165   3.111   7.252
  167   1HB   PHE  23          HB2       PHE  23  16.396   1.193   6.116
  168   2HB   PHE  23          HB1       PHE  23  14.720   1.324   5.632
  169    HD1  PHE  23           HD1      PHE  23  17.931   2.927   4.515
  170    HD2  PHE  23           HD2      PHE  23  14.420   0.760   3.480
  171    HE1  PHE  23           HE1      PHE  23  18.677   2.854   2.195
  172    HE2  PHE  23           HE2      PHE  23  15.170   0.701   1.143
  173    HZ   PHE  23           HZ       PHE  23  17.306   1.713   0.519
  174    H    ALA  24           HN       ALA  24  14.098   4.926   5.215
  175    HA   ALA  24           HA       ALA  24  15.693   6.210   3.397
  176   1HB   ALA  24          HB1       ALA  24  13.210   6.669   4.211
  177   2HB   ALA  24          HB2       ALA  24  14.142   7.922   3.402
  178   3HB   ALA  24          HB3       ALA  24  13.995   7.928   5.160
  179    H    GLY  25           HN       GLY  25  15.363   6.728   6.810
  180   1HA   GLY  25          HA2       GLY  25  16.840   8.949   7.333
  181   2HA   GLY  25          HA1       GLY  25  16.810   7.530   8.395
  182    H    ARG  26           HN       ARG  26  18.068   5.859   6.239
  183    HA   ARG  26           HA       ARG  26  20.700   5.855   6.965
  184   1HB   ARG  26          HB2       ARG  26  19.857   4.094   5.570
  185   2HB   ARG  26          HB1       ARG  26  19.464   5.221   4.273
  186   1HG   ARG  26          HG2       ARG  26  21.473   4.937   3.381
  187   2HG   ARG  26          HG1       ARG  26  22.253   5.416   4.888
  188   1HD   ARG  26          HD2       ARG  26  21.274   2.650   4.205
  189   2HD   ARG  26          HD1       ARG  26  22.953   3.183   4.179
  190    HE   ARG  26           HE       ARG  26  21.625   3.542   6.714
  191   1HH1  ARG  26          HH11      ARG  26  23.494   1.388   4.712
  192   2HH1  ARG  26          HH12      ARG  26  24.100   0.466   6.046
  193   1HH2  ARG  26          HH21      ARG  26  22.418   2.334   8.477
  194   2HH2  ARG  26          HH22      ARG  26  23.488   1.003   8.187
  195    H    GLU  27           HN       GLU  27  19.370   7.467   4.115
  196    HA   GLU  27           HA       GLU  27  21.118   9.745   4.518
  197   1HB   GLU  27          HB2       GLU  27  21.816   9.673   2.078
  198   2HB   GLU  27          HB1       GLU  27  22.581   8.479   3.121
  199   1HG   GLU  27          HG2       GLU  27  21.012   6.785   2.330
  200   2HG   GLU  27          HG1       GLU  27  20.254   7.976   1.270
  201    H    GLY  28           HN       GLY  28  19.119  10.722   4.963
  202   1HA   GLY  28          HA2       GLY  28  17.746  11.628   2.583
  203   2HA   GLY  28          HA1       GLY  28  16.763  10.690   3.693
  204    H    ARG  29           HN       ARG  29  19.122  13.390   3.924
  205    HA   ARG  29           HA       ARG  29  18.158  14.521   6.229
  206   1HB   ARG  29          HB2       ARG  29  20.126  15.433   5.179
  207   2HB   ARG  29          HB1       ARG  29  19.210  15.895   3.751
  208   1HG   ARG  29          HG2       ARG  29  17.878  17.415   5.305
  209   2HG   ARG  29          HG1       ARG  29  19.163  17.131   6.482
  210   1HD   ARG  29          HD2       ARG  29  19.501  18.276   3.712
  211   2HD   ARG  29          HD1       ARG  29  19.557  19.182   5.222
  212    HE   ARG  29           HE       ARG  29  21.464  17.159   5.383
  213   1HH1  ARG  29          HH11      ARG  29  20.843  20.028   3.510
  214   2HH1  ARG  29          HH12      ARG  29  22.518  20.356   3.216
  215   1HH2  ARG  29          HH21      ARG  29  23.673  17.582   5.004
  216   2HH2  ARG  29          HH22      ARG  29  24.128  18.965   4.065
  217    H    LYS  30           HN       LYS  30  17.269  15.629   2.993
  218    HA   LYS  30           HA       LYS  30  14.480  15.851   3.812
  219   1HB   LYS  30          HB2       LYS  30  16.157  18.102   2.694
  220   2HB   LYS  30          HB1       LYS  30  14.403  18.100   2.597
  221   1HG   LYS  30          HG2       LYS  30  14.291  17.979   5.053
  222   2HG   LYS  30          HG1       LYS  30  16.052  18.058   5.116
  223   1HD   LYS  30          HD2       LYS  30  16.010  20.243   4.046
  224   2HD   LYS  30          HD1       LYS  30  14.253  20.159   3.909
  225   1HE   LYS  30          HE2       LYS  30  14.088  20.066   6.363
  226   2HE   LYS  30          HE1       LYS  30  15.843  20.208   6.473
  227   1HZ   LYS  30          HZ1       LYS  30  15.710  22.369   5.420
  228   2HZ   LYS  30          HZ2       LYS  30  14.734  22.339   6.801
  229   3HZ   LYS  30          HZ3       LYS  30  14.031  22.230   5.268
  230    H    GLY  31           HN       GLY  31  15.864  13.942   2.186
  231   1HA   GLY  31          HA2       GLY  31  14.668  14.595  -0.449
  232   2HA   GLY  31          HA1       GLY  31  16.224  13.788  -0.314
  233    H    SER  32           HN       SER  32  16.259  11.590  -0.185
  234    HA   SER  32           HA       SER  32  13.768  10.269   0.469
  235   1HB   SER  32          HB2       SER  32  14.416   8.736  -1.628
  236   2HB   SER  32          HB1       SER  32  13.303  10.091  -1.723
  237    HG   SER  32           HG       SER  32  16.071  10.456  -2.101
  238    H    LEU  33           HN       LEU  33  13.987   7.887   0.074
  239    HA   LEU  33           HA       LEU  33  16.187   6.853   1.652
  240   1HB   LEU  33          HB2       LEU  33  14.036   6.092   2.363
  241   2HB   LEU  33          HB1       LEU  33  13.528   5.824   0.734
  242    HG   LEU  33           HG       LEU  33  15.763   4.160   1.712
  243   1HD1  LEU  33          HD11      LEU  33  13.599   2.684   2.449
  244   2HD1  LEU  33          HD12      LEU  33  13.131   4.294   2.972
  245   3HD1  LEU  33          HD13      LEU  33  14.624   3.591   3.554
  246   1HD2  LEU  33          HD21      LEU  33  13.303   3.292   0.235
  247   2HD2  LEU  33          HD22      LEU  33  14.927   2.628   0.174
  248   3HD2  LEU  33          HD23      LEU  33  14.579   4.167  -0.603
  249    H    ASN  34           HN       ASN  34  17.387   4.929   0.773
  250    HA   ASN  34           HA       ASN  34  17.220   5.032  -2.163
  251   1HB   ASN  34          HB2       ASN  34  19.670   4.829  -2.214
  252   2HB   ASN  34          HB1       ASN  34  19.159   6.214  -1.249
  253   1HD2  ASN  34          HD21      ASN  34  19.322   6.130   1.001
  254   2HD2  ASN  34          HD22      ASN  34  20.384   5.015   1.783
  255    H    ILE  35           HN       ILE  35  19.595   2.862  -1.648
  256    HA   ILE  35           HA       ILE  35  17.821   0.686  -1.058
  257    HB   ILE  35           HB       ILE  35  19.166  -0.562  -2.958
  258   1HG1  ILE  35          HG12      ILE  35  20.456   1.564  -3.471
  259   2HG1  ILE  35          HG11      ILE  35  19.675   0.800  -4.851
  260   1HG2  ILE  35          HG21      ILE  35  16.720   1.156  -3.202
  261   2HG2  ILE  35          HG22      ILE  35  16.826  -0.589  -2.966
  262   3HG2  ILE  35          HG23      ILE  35  17.268   0.122  -4.514
  263   1HD1  ILE  35          HD11      ILE  35  19.425   3.455  -3.941
  264   2HD1  ILE  35          HD12      ILE  35  17.863   2.669  -3.713
  265   3HD1  ILE  35          HD13      ILE  35  18.618   2.683  -5.307
  266    H    ASN  36           HN       ASN  36  19.891   1.962   0.448
  267    HA   ASN  36           HA       ASN  36  22.096   0.104   0.538
  268   1HB   ASN  36          HB2       ASN  36  21.309   2.446   2.288
  269   2HB   ASN  36          HB1       ASN  36  22.722   1.442   2.604
  270   1HD2  ASN  36          HD21      ASN  36  23.636   1.062  -0.008
  271   2HD2  ASN  36          HD22      ASN  36  24.179   2.577  -0.629
  272    H    GLU  37           HN       GLU  37  19.784   1.178   3.040
  273    HA   GLU  37           HA       GLU  37  20.121  -1.317   4.386
  274   1HB   GLU  37          HB2       GLU  37  17.766   0.395   4.936
  275   2HB   GLU  37          HB1       GLU  37  18.728  -0.554   6.038
  276   1HG   GLU  37          HG2       GLU  37  20.589   1.004   5.693
  277   2HG   GLU  37          HG1       GLU  37  19.522   2.037   4.744
  278    H    PHE  38           HN       PHE  38  18.250  -0.273   1.685
  279    HA   PHE  38           HA       PHE  38  16.067  -1.964   1.876
  280   1HB   PHE  38          HB2       PHE  38  16.494  -0.239   0.070
  281   2HB   PHE  38          HB1       PHE  38  17.641  -1.366  -0.652
  282    HD1  PHE  38           HD1      PHE  38  14.493  -0.106  -0.895
  283    HD2  PHE  38           HD2      PHE  38  16.504  -3.839  -0.931
  284    HE1  PHE  38           HE1      PHE  38  12.617  -1.090  -2.147
  285    HE2  PHE  38           HE2      PHE  38  14.633  -4.846  -2.176
  286    HZ   PHE  38           HZ       PHE  38  12.685  -3.468  -2.788
  287    H    LYS  39           HN       LYS  39  19.442  -2.504   1.354
  288    HA   LYS  39           HA       LYS  39  19.392  -5.057   0.293
  289   1HB   LYS  39          HB2       LYS  39  21.481  -3.969   2.147
  290   2HB   LYS  39          HB1       LYS  39  21.687  -5.236   0.947
  291   1HG   LYS  39          HG2       LYS  39  20.642  -2.829  -0.207
  292   2HG   LYS  39          HG1       LYS  39  22.194  -2.555   0.592
  293   1HD   LYS  39          HD2       LYS  39  21.652  -4.711  -1.447
  294   2HD   LYS  39          HD1       LYS  39  22.425  -3.166  -1.799
  295   1HE   LYS  39          HE2       LYS  39  23.450  -5.258   0.119
  296   2HE   LYS  39          HE1       LYS  39  24.067  -4.961  -1.506
  297   1HZ   LYS  39          HZ1       LYS  39  25.449  -3.888   0.141
  298   2HZ   LYS  39          HZ2       LYS  39  24.122  -3.037   0.756
  299   3HZ   LYS  39          HZ3       LYS  39  24.679  -2.717  -0.809
  300    H    GLU  40           HN       GLU  40  18.547  -3.949   3.266
  301    HA   GLU  40           HA       GLU  40  18.839  -6.423   4.716
  302   1HB   GLU  40          HB2       GLU  40  17.214  -4.002   5.511
  303   2HB   GLU  40          HB1       GLU  40  17.876  -5.247   6.568
  304   1HG   GLU  40          HG2       GLU  40  19.511  -3.343   4.930
  305   2HG   GLU  40          HG1       GLU  40  19.106  -3.101   6.632
  306    H    LEU  41           HN       LEU  41  16.721  -5.144   2.457
  307    HA   LEU  41           HA       LEU  41  14.246  -6.158   3.350
  308   1HB   LEU  41          HB2       LEU  41  15.139  -5.481   0.549
  309   2HB   LEU  41          HB1       LEU  41  13.488  -5.810   1.022
  310    HG   LEU  41           HG       LEU  41  15.031  -3.347   1.180
  311   1HD1  LEU  41          HD11      LEU  41  13.152  -2.504   0.396
  312   2HD1  LEU  41          HD12      LEU  41  12.180  -3.251   1.663
  313   3HD1  LEU  41          HD13      LEU  41  12.621  -4.177   0.228
  314   1HD2  LEU  41          HD21      LEU  41  14.879  -4.142   3.649
  315   2HD2  LEU  41          HD22      LEU  41  13.170  -3.754   3.488
  316   3HD2  LEU  41          HD23      LEU  41  14.389  -2.508   3.239
  317    H    ALA  42           HN       ALA  42  15.306  -7.285   0.169
  318    HA   ALA  42           HA       ALA  42  14.217  -9.713   0.140
  319   1HB   ALA  42          HB1       ALA  42  16.442 -10.381  -1.115
  320   2HB   ALA  42          HB2       ALA  42  16.650  -8.633  -1.065
  321   3HB   ALA  42          HB3       ALA  42  15.219  -9.327  -1.814
  322    H    THR  43           HN       THR  43  17.150  -8.867   1.789
  323    HA   THR  43           HA       THR  43  18.204 -11.376   2.310
  324    HB   THR  43           HB       THR  43  19.166 -10.025   4.335
  325    HG1  THR  43           HG1      THR  43  18.455  -7.791   2.768
  326   1HG2  THR  43          HG21      THR  43  20.511 -10.568   2.413
  327   2HG2  THR  43          HG22      THR  43  20.754  -8.865   2.804
  328   3HG2  THR  43          HG23      THR  43  19.708  -9.321   1.460
  329    H    GLN  44           HN       GLN  44  16.372  -9.246   4.483
  330    HA   GLN  44           HA       GLN  44  15.907 -11.333   6.339
  331   1HB   GLN  44          HB2       GLN  44  14.673  -8.589   6.283
  332   2HB   GLN  44          HB1       GLN  44  14.814  -9.658   7.672
  333   1HG   GLN  44          HG2       GLN  44  17.191  -9.390   7.714
  334   2HG   GLN  44          HG1       GLN  44  17.162  -8.487   6.201
  335   1HE2  GLN  44          HE21      GLN  44  18.191  -7.721   8.814
  336   2HE2  GLN  44          HE22      GLN  44  17.358  -6.273   9.254
  337    H    GLN  45           HN       GLN  45  14.078  -9.720   3.819
  338    HA   GLN  45           HA       GLN  45  11.604 -10.982   4.665
  339   1HB   GLN  45          HB2       GLN  45  10.518  -9.808   2.965
  340   2HB   GLN  45          HB1       GLN  45  11.775  -8.710   3.509
  341   1HG   GLN  45          HG2       GLN  45  12.963  -8.889   1.579
  342   2HG   GLN  45          HG1       GLN  45  12.339 -10.491   1.193
  343   1HE2  GLN  45          HE21      GLN  45  12.076  -7.194   0.656
  344   2HE2  GLN  45          HE22      GLN  45  10.642  -7.221  -0.293
  345    H    LEU  46           HN       LEU  46  14.307 -11.914   2.863
  346    HA   LEU  46           HA       LEU  46  13.579 -13.518   0.880
  347   1HB   LEU  46          HB2       LEU  46  15.735 -13.571   2.820
  348   2HB   LEU  46          HB1       LEU  46  15.250 -15.196   2.388
  349    HG   LEU  46           HG       LEU  46  16.420 -13.079   0.611
  350   1HD1  LEU  46          HD11      LEU  46  17.981 -14.865   0.064
  351   2HD1  LEU  46          HD12      LEU  46  17.124 -15.951   1.159
  352   3HD1  LEU  46          HD13      LEU  46  17.957 -14.532   1.796
  353   1HD2  LEU  46          HD21      LEU  46  16.014 -14.765  -1.240
  354   2HD2  LEU  46          HD22      LEU  46  14.623 -13.825  -0.708
  355   3HD2  LEU  46          HD23      LEU  46  14.815 -15.494  -0.171
  356    HA   PRO  47           HA       PRO  47  11.938 -17.054   3.405
  357   1HB   PRO  47          HB2       PRO  47  12.270 -17.311   6.032
  358   2HB   PRO  47          HB1       PRO  47  13.552 -17.756   4.900
  359   1HG   PRO  47          HG2       PRO  47  13.254 -15.281   6.557
  360   2HG   PRO  47          HG1       PRO  47  14.709 -16.242   6.233
  361   1HD   PRO  47          HD2       PRO  47  14.068 -13.909   4.911
  362   2HD   PRO  47          HD1       PRO  47  15.098 -15.191   4.247
  363    H    HIS  48           HN       HIS  48  10.126 -15.804   2.866
  364    HA   HIS  48           HA       HIS  48   8.617 -14.683   5.091
  365   1HB   HIS  48          HB2       HIS  48   8.701 -14.182   2.225
  366   2HB   HIS  48          HB1       HIS  48   7.057 -14.512   2.770
  367    HD1  HIS  48           HD1      HIS  48   9.914 -12.141   3.385
  368    HD2  HIS  48           HD2      HIS  48   5.880 -12.534   4.286
  369    HE1  HIS  48           HE1      HIS  48   9.252  -9.968   4.458
  370    HE2  HIS  48           HE2      HIS  48   6.776 -10.179   4.859
  371    H    LEU  49           HN       LEU  49   6.024 -15.282   4.138
  372    HA   LEU  49           HA       LEU  49   5.832 -18.072   4.828
  373   1HB   LEU  49          HB2       LEU  49   4.098 -16.574   5.630
  374   2HB   LEU  49          HB1       LEU  49   3.752 -16.030   4.001
  375    HG   LEU  49           HG       LEU  49   2.773 -18.135   3.419
  376   1HD1  LEU  49          HD11      LEU  49   3.684 -19.099   6.127
  377   2HD1  LEU  49          HD12      LEU  49   4.329 -19.606   4.565
  378   3HD1  LEU  49          HD13      LEU  49   2.668 -20.003   5.003
  379   1HD2  LEU  49          HD21      LEU  49   1.376 -16.552   4.693
  380   2HD2  LEU  49          HD22      LEU  49   1.840 -17.372   6.183
  381   3HD2  LEU  49          HD23      LEU  49   0.909 -18.232   4.956
  382    H    LEU  50           HN       LEU  50   4.028 -16.557   2.180
  383    HA   LEU  50           HA       LEU  50   4.818 -18.683   0.371
  384   1HB   LEU  50          HB2       LEU  50   2.483 -17.839   0.447
  385   2HB   LEU  50          HB1       LEU  50   3.052 -16.280  -0.122
  386    HG   LEU  50           HG       LEU  50   3.759 -17.286  -2.236
  387   1HD1  LEU  50          HD11      LEU  50   3.158 -19.615  -2.747
  388   2HD1  LEU  50          HD12      LEU  50   2.668 -19.841  -1.068
  389   3HD1  LEU  50          HD13      LEU  50   4.353 -19.497  -1.456
  390   1HD2  LEU  50          HD21      LEU  50   1.539 -17.824  -3.121
  391   2HD2  LEU  50          HD22      LEU  50   1.496 -16.412  -2.065
  392   3HD2  LEU  50          HD23      LEU  50   0.923 -17.972  -1.475
  393    H    LYS  51           HN       LYS  51   7.075 -17.441   0.985
  394    HA   LYS  51           HA       LYS  51   7.958 -15.154  -0.056
  395   1HB   LYS  51          HB2       LYS  51   9.410 -16.498   1.212
  396   2HB   LYS  51          HB1       LYS  51   9.337 -17.813   0.050
  397   1HG   LYS  51          HG2       LYS  51  10.444 -16.165  -1.570
  398   2HG   LYS  51          HG1       LYS  51  10.833 -15.201  -0.145
  399   1HD   LYS  51          HD2       LYS  51  11.805 -17.915  -0.985
  400   2HD   LYS  51          HD1       LYS  51  12.729 -16.508  -0.464
  401   1HE   LYS  51          HE2       LYS  51  12.866 -17.451   1.538
  402   2HE   LYS  51          HE1       LYS  51  11.131 -17.147   1.718
  403   1HZ   LYS  51          HZ1       LYS  51  11.606 -19.455   2.134
  404   2HZ   LYS  51          HZ2       LYS  51  12.405 -19.618   0.653
  405   3HZ   LYS  51          HZ3       LYS  51  10.737 -19.338   0.686
  406    H    ASP  52           HN       ASP  52   9.087 -14.488  -1.834
  407    HA   ASP  52           HA       ASP  52   8.130 -15.561  -4.377
  408   1HB   ASP  52          HB2       ASP  52   9.414 -12.915  -3.644
  409   2HB   ASP  52          HB1       ASP  52   9.015 -13.387  -5.294
  410    H    VAL  53           HN       VAL  53  11.052 -14.674  -2.598
  411    HA   VAL  53           HA       VAL  53  13.050 -15.785  -2.606
  412    HB   VAL  53           HB       VAL  53  11.842 -17.537  -4.122
  413   1HG1  VAL  53          HG11      VAL  53  13.928 -16.802  -6.113
  414   2HG1  VAL  53          HG12      VAL  53  12.355 -16.018  -6.199
  415   3HG1  VAL  53          HG13      VAL  53  12.470 -17.773  -6.317
  416   1HG2  VAL  53          HG21      VAL  53  14.828 -17.286  -3.899
  417   2HG2  VAL  53          HG22      VAL  53  13.956 -18.772  -4.276
  418   3HG2  VAL  53          HG23      VAL  53  13.735 -17.994  -2.709
  419    H    GLY  54           HN       GLY  54  13.827 -13.774  -2.450
  420   1HA   GLY  54          HA2       GLY  54  14.398 -12.070  -4.633
  421   2HA   GLY  54          HA1       GLY  54  15.125 -11.975  -3.034
  422    H    SER  55           HN       SER  55  15.481 -13.106  -6.274
  423    HA   SER  55           HA       SER  55  17.683 -14.817  -5.916
  424   1HB   SER  55          HB2       SER  55  16.278 -14.562  -8.011
  425   2HB   SER  55          HB1       SER  55  17.177 -13.082  -8.338
  426    HG   SER  55           HG       SER  55  19.104 -14.440  -8.199
  427    H    LEU  56           HN       LEU  56  19.892 -14.449  -5.965
  428    HA   LEU  56           HA       LEU  56  20.940 -12.268  -4.701
  429   1HB   LEU  56          HB2       LEU  56  22.308 -13.937  -6.813
  430   2HB   LEU  56          HB1       LEU  56  23.124 -12.898  -5.660
  431    HG   LEU  56           HG       LEU  56  21.522 -15.373  -5.011
  432   1HD1  LEU  56          HD11      LEU  56  23.702 -15.851  -5.979
  433   2HD1  LEU  56          HD12      LEU  56  23.676 -16.260  -4.264
  434   3HD1  LEU  56          HD13      LEU  56  24.471 -14.782  -4.807
  435   1HD2  LEU  56          HD21      LEU  56  21.242 -13.664  -3.289
  436   2HD2  LEU  56          HD22      LEU  56  22.993 -13.486  -3.173
  437   3HD2  LEU  56          HD23      LEU  56  22.227 -15.004  -2.704
  438    H    ASP  57           HN       ASP  57  20.699 -12.729  -8.214
  439    HA   ASP  57           HA       ASP  57  21.827 -10.215  -8.887
  440   1HB   ASP  57          HB2       ASP  57  20.464 -10.612 -11.062
  441   2HB   ASP  57          HB1       ASP  57  21.844 -11.654 -10.708
  442    H    GLU  58           HN       GLU  58  18.478 -11.364  -8.799
  443    HA   GLU  58           HA       GLU  58  17.142  -9.083  -9.544
  444   1HB   GLU  58          HB2       GLU  58  16.420 -11.236  -7.560
  445   2HB   GLU  58          HB1       GLU  58  15.296  -9.937  -7.957
  446   1HG   GLU  58          HG2       GLU  58  15.566 -10.623 -10.372
  447   2HG   GLU  58          HG1       GLU  58  16.418 -12.049  -9.785
  448    H    LYS  59           HN       LYS  59  18.184 -10.040  -6.301
  449    HA   LYS  59           HA       LYS  59  17.288  -7.760  -5.014
  450   1HB   LYS  59          HB2       LYS  59  19.629  -9.491  -4.257
  451   2HB   LYS  59          HB1       LYS  59  18.794  -8.374  -3.187
  452   1HG   LYS  59          HG2       LYS  59  16.837  -9.700  -3.129
  453   2HG   LYS  59          HG1       LYS  59  17.340 -10.613  -4.552
  454   1HD   LYS  59          HD2       LYS  59  17.552 -11.829  -2.363
  455   2HD   LYS  59          HD1       LYS  59  19.015 -11.778  -3.345
  456   1HE   LYS  59          HE2       LYS  59  19.684  -9.764  -1.939
  457   2HE   LYS  59          HE1       LYS  59  18.360 -10.217  -0.866
  458   1HZ   LYS  59          HZ1       LYS  59  19.397 -12.407  -0.616
  459   2HZ   LYS  59          HZ2       LYS  59  20.405 -11.161  -0.075
  460   3HZ   LYS  59          HZ3       LYS  59  20.701 -11.900  -1.568
  461    H    MET  60           HN       MET  60  20.044  -8.279  -6.995
  462    HA   MET  60           HA       MET  60  21.367  -5.879  -6.178
  463   1HB   MET  60          HB2       MET  60  21.921  -7.887  -8.347
  464   2HB   MET  60          HB1       MET  60  22.871  -6.417  -8.163
  465   1HG   MET  60          HG2       MET  60  23.482  -7.094  -5.896
  466   2HG   MET  60          HG1       MET  60  22.541  -8.571  -6.089
  467   1HE   MET  60          HE1       MET  60  25.646  -6.530  -7.356
  468   2HE   MET  60          HE2       MET  60  24.740  -6.817  -8.842
  469   3HE   MET  60          HE3       MET  60  26.297  -7.608  -8.592
  470    H    LYS  61           HN       LYS  61  19.393  -6.913  -8.899
  471    HA   LYS  61           HA       LYS  61  19.765  -4.500 -10.403
  472   1HB   LYS  61          HB2       LYS  61  17.286  -5.981 -10.930
  473   2HB   LYS  61          HB1       LYS  61  18.556  -5.488 -12.042
  474   1HG   LYS  61          HG2       LYS  61  18.529  -7.924 -10.281
  475   2HG   LYS  61          HG1       LYS  61  18.350  -7.875 -12.031
  476   1HD   LYS  61          HD2       LYS  61  20.819  -7.090 -10.480
  477   2HD   LYS  61          HD1       LYS  61  20.605  -8.557 -11.432
  478   1HE   LYS  61          HE2       LYS  61  20.560  -5.734 -12.491
  479   2HE   LYS  61          HE1       LYS  61  21.888  -6.880 -12.657
  480   1HZ   LYS  61          HZ1       LYS  61  19.160  -7.201 -13.788
  481   2HZ   LYS  61          HZ2       LYS  61  20.412  -8.330 -13.924
  482   3HZ   LYS  61          HZ3       LYS  61  20.558  -6.812 -14.658
  483    H    THR  62           HN       THR  62  17.123  -5.824  -8.491
  484    HA   THR  62           HA       THR  62  15.260  -3.856  -8.805
  485    HB   THR  62           HB       THR  62  15.808  -5.329  -6.233
  486    HG1  THR  62           HG1      THR  62  15.322  -6.455  -8.420
  487   1HG2  THR  62          HG21      THR  62  14.303  -3.441  -5.911
  488   2HG2  THR  62          HG22      THR  62  13.412  -4.958  -5.802
  489   3HG2  THR  62          HG23      THR  62  13.310  -3.980  -7.265
  490    H    LEU  63           HN       LEU  63  18.264  -3.595  -7.074
  491    HA   LEU  63           HA       LEU  63  17.717  -1.585  -5.266
  492   1HB   LEU  63          HB2       LEU  63  20.118  -2.186  -6.936
  493   2HB   LEU  63          HB1       LEU  63  20.051  -0.681  -6.042
  494    HG   LEU  63           HG       LEU  63  19.391  -2.496  -4.114
  495   1HD1  LEU  63          HD11      LEU  63  20.013  -4.243  -5.900
  496   2HD1  LEU  63          HD12      LEU  63  20.689  -4.420  -4.281
  497   3HD1  LEU  63          HD13      LEU  63  21.676  -3.754  -5.580
  498   1HD2  LEU  63          HD21      LEU  63  22.151  -1.534  -4.848
  499   2HD2  LEU  63          HD22      LEU  63  21.637  -2.114  -3.264
  500   3HD2  LEU  63          HD23      LEU  63  20.959  -0.625  -3.921
  501    H    ASP  64           HN       ASP  64  19.098  -0.968  -8.482
  502    HA   ASP  64           HA       ASP  64  18.522   1.744  -8.574
  503   1HB   ASP  64          HB2       ASP  64  18.594  -0.187 -10.903
  504   2HB   ASP  64          HB1       ASP  64  18.693   1.569 -11.018
  505    H    VAL  65           HN       VAL  65  16.484  -1.018  -9.314
  506    HA   VAL  65           HA       VAL  65  14.336   0.368 -10.500
  507    HB   VAL  65           HB       VAL  65  14.275  -2.189  -8.866
  508   1HG1  VAL  65          HG11      VAL  65  12.147  -2.633  -9.986
  509   2HG1  VAL  65          HG12      VAL  65  12.227  -1.058 -10.775
  510   3HG1  VAL  65          HG13      VAL  65  12.065  -1.159  -9.022
  511   1HG2  VAL  65          HG21      VAL  65  14.317  -3.328 -11.013
  512   2HG2  VAL  65          HG22      VAL  65  15.740  -2.303 -10.830
  513   3HG2  VAL  65          HG23      VAL  65  14.402  -1.780 -11.853
  514    H    ASN  66           HN       ASN  66  14.238  -1.102  -7.265
  515    HA   ASN  66           HA       ASN  66  12.406   0.916  -6.323
  516   1HB   ASN  66          HB2       ASN  66  13.767  -1.372  -4.900
  517   2HB   ASN  66          HB1       ASN  66  12.566  -0.307  -4.176
  518   1HD2  ASN  66          HD21      ASN  66  11.143  -1.989  -3.780
  519   2HD2  ASN  66          HD22      ASN  66  10.253  -2.765  -5.042
  520    H    GLN  67           HN       GLN  67  14.394   2.390  -7.001
  521    HA   GLN  67           HA       GLN  67  16.530   2.624  -5.157
  522   1HB   GLN  67          HB2       GLN  67  17.000   3.414  -7.279
  523   2HB   GLN  67          HB1       GLN  67  15.446   4.178  -7.474
  524   1HG   GLN  67          HG2       GLN  67  17.231   5.179  -5.450
  525   2HG   GLN  67          HG1       GLN  67  17.748   5.475  -7.073
  526   1HE2  GLN  67          HE21      GLN  67  14.666   5.659  -7.489
  527   2HE2  GLN  67          HE22      GLN  67  14.303   7.267  -7.036
  528    H    ASP  68           HN       ASP  68  13.940   4.784  -5.965
  529    HA   ASP  68           HA       ASP  68  14.034   6.040  -3.345
  530   1HB   ASP  68          HB2       ASP  68  12.821   6.770  -5.962
  531   2HB   ASP  68          HB1       ASP  68  12.057   7.386  -4.502
  532    H    SER  69           HN       SER  69  13.066   3.282  -3.474
  533    HA   SER  69           HA       SER  69  10.343   2.908  -3.633
  534   1HB   SER  69          HB2       SER  69  10.712   1.281  -1.637
  535   2HB   SER  69          HB1       SER  69  11.548   0.960  -3.156
  536    HG   SER  69           HG       SER  69  13.358   1.174  -2.129
  537    H    GLU  70           HN       GLU  70  12.258   4.456  -1.260
  538    HA   GLU  70           HA       GLU  70   9.846   5.558  -0.010
  539   1HB   GLU  70          HB2       GLU  70  10.650   4.184   1.699
  540   2HB   GLU  70          HB1       GLU  70  12.312   4.503   1.259
  541   1HG   GLU  70          HG2       GLU  70  11.899   5.639   3.311
  542   2HG   GLU  70          HG1       GLU  70  12.010   6.867   2.051
  543    H    LEU  71           HN       LEU  71  10.058   7.645   0.742
  544    HA   LEU  71           HA       LEU  71  12.474   9.027   0.180
  545   1HB   LEU  71          HB2       LEU  71  11.248  10.784  -1.077
  546   2HB   LEU  71          HB1       LEU  71  11.554   9.256  -1.896
  547    HG   LEU  71           HG       LEU  71   9.304  10.138  -2.256
  548   1HD1  LEU  71          HD11      LEU  71   8.785   7.693  -0.714
  549   2HD1  LEU  71          HD12      LEU  71  10.071   7.587  -1.908
  550   3HD1  LEU  71          HD13      LEU  71   8.462   8.011  -2.404
  551   1HD2  LEU  71          HD21      LEU  71   7.753  10.472  -0.629
  552   2HD2  LEU  71          HD22      LEU  71   9.232  11.076   0.104
  553   3HD2  LEU  71          HD23      LEU  71   8.628   9.479   0.534
  554    H    ARG  72           HN       ARG  72  12.315  11.337   0.699
  555    HA   ARG  72           HA       ARG  72  10.769  11.752   3.151
  556   1HB   ARG  72          HB2       ARG  72  13.094  13.442   2.308
  557   2HB   ARG  72          HB1       ARG  72  12.522  13.085   3.934
  558   1HG   ARG  72          HG2       ARG  72  14.032  11.264   2.086
  559   2HG   ARG  72          HG1       ARG  72  14.630  12.001   3.576
  560   1HD   ARG  72          HD2       ARG  72  12.531   9.873   3.258
  561   2HD   ARG  72          HD1       ARG  72  14.092   9.743   4.065
  562    HE   ARG  72           HE       ARG  72  12.853  11.669   5.483
  563   1HH1  ARG  72          HH11      ARG  72  11.883   8.480   4.475
  564   2HH1  ARG  72          HH12      ARG  72  10.867   8.212   5.852
  565   1HH2  ARG  72          HH21      ARG  72  11.517  11.327   7.301
  566   2HH2  ARG  72          HH22      ARG  72  10.657   9.832   7.458
  567    H    PHE  73           HN       PHE  73  11.245  12.704  -0.109
  568    HA   PHE  73           HA       PHE  73   9.802  15.200   0.279
  569   1HB   PHE  73          HB2       PHE  73  10.674  15.727  -2.084
  570   2HB   PHE  73          HB1       PHE  73  11.764  15.820  -0.722
  571    HD1  PHE  73           HD1      PHE  73  10.962  12.463  -1.968
  572    HD2  PHE  73           HD2      PHE  73  13.602  15.787  -2.305
  573    HE1  PHE  73           HE1      PHE  73  12.577  11.058  -3.158
  574    HE2  PHE  73           HE2      PHE  73  15.222  14.380  -3.488
  575    HZ   PHE  73           HZ       PHE  73  14.714  12.013  -3.922
  576    H    SER  74           HN       SER  74   9.824  14.305  -3.029
  577    HA   SER  74           HA       SER  74   6.963  13.693  -2.791
  578   1HB   SER  74          HB2       SER  74   7.024  14.500  -5.302
  579   2HB   SER  74          HB1       SER  74   6.911  15.658  -3.980
  580    HG   SER  74           HG       SER  74   8.548  16.348  -5.297
  581    H    GLU  75           HN       GLU  75   9.612  12.045  -3.240
  582    HA   GLU  75           HA       GLU  75   9.022  10.621  -5.621
  583   1HB   GLU  75          HB2       GLU  75  10.830  10.348  -3.316
  584   2HB   GLU  75          HB1       GLU  75  10.470   8.853  -4.151
  585   1HG   GLU  75          HG2       GLU  75  11.605  11.323  -5.400
  586   2HG   GLU  75          HG1       GLU  75  12.547   9.966  -4.785
  587    H    TYR  76           HN       TYR  76   7.426  10.743  -2.666
  588    HA   TYR  76           HA       TYR  76   6.799   8.350  -1.743
  589   1HB   TYR  76          HB2       TYR  76   5.292  10.826  -1.943
  590   2HB   TYR  76          HB1       TYR  76   4.286   9.400  -1.731
  591    HD1  TYR  76           HD1      TYR  76   6.683   8.063  -0.043
  592    HD2  TYR  76           HD2      TYR  76   4.448  11.671   0.214
  593    HE1  TYR  76           HE1      TYR  76   7.224   8.177   2.271
  594    HE2  TYR  76           HE2      TYR  76   4.977  11.795   2.614
  595    HH   TYR  76           HH       TYR  76   7.359   9.863   4.084
  596    H    TRP  77           HN       TRP  77   5.801   9.408  -4.840
  597    HA   TRP  77           HA       TRP  77   3.782   7.545  -5.340
  598   1HB   TRP  77          HB2       TRP  77   4.315   7.823  -7.710
  599   2HB   TRP  77          HB1       TRP  77   4.368   9.388  -6.897
  600    HD1  TRP  77           HD1      TRP  77   6.917   6.600  -7.784
  601    HE1  TRP  77           HE1      TRP  77   9.103   7.736  -8.469
  602    HE3  TRP  77           HE3      TRP  77   5.543  11.454  -7.100
  603    HZ2  TRP  77           HZ2      TRP  77  10.130  10.369  -8.709
  604    HZ3  TRP  77           HZ3      TRP  77   7.174  13.230  -7.568
  605    HH2  TRP  77           HH2      TRP  77   9.424  12.699  -8.360
  606    H    ARG  78           HN       ARG  78   7.078   7.034  -4.609
  607    HA   ARG  78           HA       ARG  78   7.459   4.665  -6.142
  608   1HB   ARG  78          HB2       ARG  78   8.939   6.078  -3.944
  609   2HB   ARG  78          HB1       ARG  78   9.383   4.425  -4.368
  610   1HG   ARG  78          HG2       ARG  78   9.351   6.785  -6.235
  611   2HG   ARG  78          HG1       ARG  78  10.784   6.062  -5.498
  612   1HD   ARG  78          HD2       ARG  78   8.946   4.902  -7.569
  613   2HD   ARG  78          HD1       ARG  78  10.690   5.150  -7.656
  614    HE   ARG  78           HE       ARG  78  10.458   3.398  -5.630
  615   1HH1  ARG  78          HH11      ARG  78   9.147   3.448  -8.854
  616   2HH1  ARG  78          HH12      ARG  78   9.099   1.723  -9.002
  617   1HH2  ARG  78          HH21      ARG  78  10.397   1.124  -5.810
  618   2HH2  ARG  78          HH22      ARG  78   9.809   0.401  -7.270
  619    H    LEU  79           HN       LEU  79   6.713   5.484  -2.751
  620    HA   LEU  79           HA       LEU  79   6.453   2.992  -1.629
  621   1HB   LEU  79          HB2       LEU  79   4.255   4.962  -1.209
  622   2HB   LEU  79          HB1       LEU  79   5.002   3.886  -0.055
  623    HG   LEU  79           HG       LEU  79   6.075   6.494  -1.110
  624   1HD1  LEU  79          HD11      LEU  79   4.834   5.460   1.383
  625   2HD1  LEU  79          HD12      LEU  79   4.757   7.060   0.662
  626   3HD1  LEU  79          HD13      LEU  79   6.183   6.574   1.581
  627   1HD2  LEU  79          HD21      LEU  79   7.767   5.535   0.872
  628   2HD2  LEU  79          HD22      LEU  79   8.117   5.674  -0.849
  629   3HD2  LEU  79          HD23      LEU  79   7.506   4.158  -0.193
  630    H    ILE  80           HN       ILE  80   4.452   4.589  -3.946
  631    HA   ILE  80           HA       ILE  80   2.097   3.345  -3.744
  632    HB   ILE  80           HB       ILE  80   3.142   5.092  -5.482
  633   1HG1  ILE  80          HG12      ILE  80   0.646   3.444  -5.983
  634   2HG1  ILE  80          HG11      ILE  80   0.761   4.838  -4.913
  635   1HG2  ILE  80          HG21      ILE  80   4.293   3.487  -6.843
  636   2HG2  ILE  80          HG22      ILE  80   2.972   4.205  -7.759
  637   3HG2  ILE  80          HG23      ILE  80   2.804   2.579  -7.099
  638   1HD1  ILE  80          HD11      ILE  80   1.264   6.267  -6.819
  639   2HD1  ILE  80          HD12      ILE  80  -0.267   5.419  -7.039
  640   3HD1  ILE  80          HD13      ILE  80   1.175   4.872  -7.893
  641    H    GLY  81           HN       GLY  81   4.798   2.069  -5.677
  642   1HA   GLY  81          HA2       GLY  81   3.434  -0.459  -6.032
  643   2HA   GLY  81          HA1       GLY  81   5.052  -0.055  -6.591
  644    H    GLU  82           HN       GLU  82   5.065   0.906  -3.493
  645    HA   GLU  82           HA       GLU  82   6.580  -1.412  -2.636
  646   1HB   GLU  82          HB2       GLU  82   5.924   1.151  -1.208
  647   2HB   GLU  82          HB1       GLU  82   7.056  -0.067  -0.634
  648   1HG   GLU  82          HG2       GLU  82   7.350   1.760  -2.982
  649   2HG   GLU  82          HG1       GLU  82   8.397   1.620  -1.574
  650    H    LEU  83           HN       LEU  83   3.968   0.495  -1.141
  651    HA   LEU  83           HA       LEU  83   3.285  -1.300   0.868
  652   1HB   LEU  83          HB2       LEU  83   1.593   0.675  -0.667
  653   2HB   LEU  83          HB1       LEU  83   0.968  -0.250   0.686
  654    HG   LEU  83           HG       LEU  83   2.762   0.787   2.117
  655   1HD1  LEU  83          HD11      LEU  83   4.362   1.464   0.491
  656   2HD1  LEU  83          HD12      LEU  83   3.717   2.924   1.239
  657   3HD1  LEU  83          HD13      LEU  83   3.169   2.439  -0.366
  658   1HD2  LEU  83          HD21      LEU  83   1.595   2.930   2.336
  659   2HD2  LEU  83          HD22      LEU  83   0.465   1.587   2.161
  660   3HD2  LEU  83          HD23      LEU  83   0.794   2.647   0.791
  661    H    ALA  84           HN       ALA  84   2.661  -1.391  -2.523
  662    HA   ALA  84           HA       ALA  84   0.657  -3.416  -2.349
  663   1HB   ALA  84          HB1       ALA  84   0.909  -3.591  -4.768
  664   2HB   ALA  84          HB2       ALA  84   2.349  -2.577  -4.694
  665   3HB   ALA  84          HB3       ALA  84   0.775  -1.903  -4.271
  666    H    LYS  85           HN       LYS  85   4.125  -3.288  -2.606
  667    HA   LYS  85           HA       LYS  85   4.870  -5.805  -3.416
  668   1HB   LYS  85          HB2       LYS  85   6.212  -3.755  -2.320
  669   2HB   LYS  85          HB1       LYS  85   6.146  -4.829  -0.927
  670   1HG   LYS  85          HG2       LYS  85   8.169  -5.264  -2.065
  671   2HG   LYS  85          HG1       LYS  85   7.095  -6.627  -2.379
  672   1HD   LYS  85          HD2       LYS  85   8.100  -6.078  -4.455
  673   2HD   LYS  85          HD1       LYS  85   6.447  -5.459  -4.523
  674   1HE   LYS  85          HE2       LYS  85   7.304  -3.229  -3.872
  675   2HE   LYS  85          HE1       LYS  85   8.948  -3.868  -3.944
  676   1HZ   LYS  85          HZ1       LYS  85   8.619  -4.354  -6.285
  677   2HZ   LYS  85          HZ2       LYS  85   8.341  -2.713  -5.981
  678   3HZ   LYS  85          HZ3       LYS  85   7.035  -3.761  -6.217
  679    H    GLU  86           HN       GLU  86   3.262  -4.885  -0.507
  680    HA   GLU  86           HA       GLU  86   3.577  -7.441   0.712
  681   1HB   GLU  86          HB2       GLU  86   1.596  -5.271   1.409
  682   2HB   GLU  86          HB1       GLU  86   2.227  -6.531   2.473
  683   1HG   GLU  86          HG2       GLU  86   3.599  -4.158   1.316
  684   2HG   GLU  86          HG1       GLU  86   3.281  -4.520   3.002
  685    H    VAL  87           HN       VAL  87   0.896  -5.676  -0.766
  686    HA   VAL  87           HA       VAL  87  -0.941  -7.815  -0.565
  687    HB   VAL  87           HB       VAL  87  -0.970  -5.297  -2.236
  688   1HG1  VAL  87          HG11      VAL  87  -3.291  -5.675  -2.695
  689   2HG1  VAL  87          HG12      VAL  87  -3.297  -7.144  -1.721
  690   3HG1  VAL  87          HG13      VAL  87  -2.388  -7.088  -3.230
  691   1HG2  VAL  87          HG21      VAL  87  -2.483  -4.447  -0.567
  692   2HG2  VAL  87          HG22      VAL  87  -1.009  -5.015   0.216
  693   3HG2  VAL  87          HG23      VAL  87  -2.474  -5.994   0.281
  694    H    ARG  88           HN       ARG  88   1.542  -7.120  -2.820
  695    HA   ARG  88           HA       ARG  88   0.510  -8.171  -5.169
  696   1HB   ARG  88          HB2       ARG  88   2.783  -7.001  -4.641
  697   2HB   ARG  88          HB1       ARG  88   3.372  -8.647  -4.436
  698   1HG   ARG  88          HG2       ARG  88   2.069  -7.541  -6.914
  699   2HG   ARG  88          HG1       ARG  88   3.797  -7.813  -6.685
  700   1HD   ARG  88          HD2       ARG  88   1.637  -9.918  -6.673
  701   2HD   ARG  88          HD1       ARG  88   2.797  -9.623  -7.967
  702    HE   ARG  88           HE       ARG  88   4.206 -10.115  -5.597
  703   1HH1  ARG  88          HH11      ARG  88   2.168 -11.774  -7.883
  704   2HH1  ARG  88          HH12      ARG  88   2.889 -13.322  -7.600
  705   1HH2  ARG  88          HH21      ARG  88   5.166 -12.151  -5.221
  706   2HH2  ARG  88          HH22      ARG  88   4.591 -13.537  -6.085
  707    H    LYS  89           HN       LYS  89   2.830 -10.031  -3.197
  708    HA   LYS  89           HA       LYS  89   1.960 -12.467  -4.394
  709   1HB   LYS  89          HB2       LYS  89   3.584 -13.595  -3.152
  710   2HB   LYS  89          HB1       LYS  89   4.291 -12.032  -3.490
  711   1HG   LYS  89          HG2       LYS  89   2.953 -11.952  -0.937
  712   2HG   LYS  89          HG1       LYS  89   4.047 -13.321  -1.023
  713   1HD   LYS  89          HD2       LYS  89   5.233 -11.442  -0.188
  714   2HD   LYS  89          HD1       LYS  89   5.819 -11.779  -1.811
  715   1HE   LYS  89          HE2       LYS  89   3.618  -9.862  -1.580
  716   2HE   LYS  89          HE1       LYS  89   5.156  -9.373  -0.898
  717   1HZ   LYS  89          HZ1       LYS  89   4.657 -10.185  -3.705
  718   2HZ   LYS  89          HZ2       LYS  89   6.198  -9.951  -3.056
  719   3HZ   LYS  89          HZ3       LYS  89   5.114  -8.657  -3.144
  720    H    GLU  90           HN       GLU  90   1.157 -10.722  -1.516
  721    HA   GLU  90           HA       GLU  90  -0.158 -12.852  -0.209
  722   1HB   GLU  90          HB2       GLU  90  -0.213  -9.862   0.104
  723   2HB   GLU  90          HB1       GLU  90  -1.359 -10.877   0.981
  724   1HG   GLU  90          HG2       GLU  90   1.641 -11.064   1.108
  725   2HG   GLU  90          HG1       GLU  90   0.587 -10.359   2.332
  726    H    LYS  91           HN       LYS  91  -0.921 -11.181  -3.035
  727    HA   LYS  91           HA       LYS  91  -3.688 -10.968  -2.884
  728   1HB   LYS  91          HB2       LYS  91  -3.694 -10.637  -5.200
  729   2HB   LYS  91          HB1       LYS  91  -2.124 -10.048  -4.680
  730   1HG   LYS  91          HG2       LYS  91  -1.126 -12.199  -5.381
  731   2HG   LYS  91          HG1       LYS  91  -2.707 -12.699  -5.981
  732   1HD   LYS  91          HD2       LYS  91  -2.722 -10.762  -7.501
  733   2HD   LYS  91          HD1       LYS  91  -1.112 -10.321  -6.929
  734   1HE   LYS  91          HE2       LYS  91  -1.005 -11.531  -9.048
  735   2HE   LYS  91          HE1       LYS  91  -0.227 -12.436  -7.751
  736   1HZ   LYS  91          HZ1       LYS  91  -1.616 -13.850  -9.147
  737   2HZ   LYS  91          HZ2       LYS  91  -2.977 -12.919  -8.765
  738   3HZ   LYS  91          HZ3       LYS  91  -2.194 -13.806  -7.556
  739    H    ALA  92           HN       ALA  92  -1.697 -13.585  -4.137
  740    HA   ALA  92           HA       ALA  92  -3.980 -15.309  -4.519
  741   1HB   ALA  92          HB1       ALA  92  -2.299 -16.992  -5.193
  742   2HB   ALA  92          HB2       ALA  92  -1.023 -15.853  -4.757
  743   3HB   ALA  92          HB3       ALA  92  -2.138 -15.470  -6.070
  744    H    LEU  93           HN       LEU  93  -1.851 -14.618  -1.926
  745    HA   LEU  93           HA       LEU  93  -2.311 -17.159  -0.621
  746   1HB   LEU  93          HB2       LEU  93  -0.187 -16.091  -0.254
  747   2HB   LEU  93          HB1       LEU  93  -0.966 -14.639   0.352
  748    HG   LEU  93           HG       LEU  93  -1.582 -17.184   1.746
  749   1HD1  LEU  93          HD11      LEU  93   0.453 -17.089   3.068
  750   2HD1  LEU  93          HD12      LEU  93   1.048 -15.741   2.099
  751   3HD1  LEU  93          HD13      LEU  93   0.844 -17.333   1.367
  752   1HD2  LEU  93          HD21      LEU  93  -1.423 -15.660   3.711
  753   2HD2  LEU  93          HD22      LEU  93  -2.626 -15.170   2.520
  754   3HD2  LEU  93          HD23      LEU  93  -1.075 -14.337   2.600
  755    H    GLY  94           HN       GLY  94  -3.696 -13.973  -0.582
  756   1HA   GLY  94          HA2       GLY  94  -4.988 -13.831   1.826
  757   2HA   GLY  94          HA1       GLY  94  -5.688 -13.256   0.325
  758    H    ILE  95           HN       ILE  95  -5.759 -15.956  -0.811
  759    HA   ILE  95           HA       ILE  95  -8.374 -16.586   0.020
  760    HB   ILE  95           HB       ILE  95  -7.958 -18.743  -1.315
  761   1HG1  ILE  95          HG12      ILE  95  -6.068 -18.800  -2.753
  762   2HG1  ILE  95          HG11      ILE  95  -5.614 -17.159  -2.322
  763   1HG2  ILE  95          HG21      ILE  95  -9.256 -17.052  -2.243
  764   2HG2  ILE  95          HG22      ILE  95  -7.987 -17.327  -3.441
  765   3HG2  ILE  95          HG23      ILE  95  -7.882 -15.956  -2.339
  766   1HD1  ILE  95          HD11      ILE  95  -4.085 -18.692  -1.301
  767   2HD1  ILE  95          HD12      ILE  95  -5.412 -19.606  -0.590
  768   3HD1  ILE  95          HD13      ILE  95  -5.079 -17.965  -0.041
  769    H    ARG  96           HN       ARG  96  -7.530 -16.643   2.390
  770    HA   ARG  96           HA       ARG  96  -6.308 -18.877   3.476
  771   1HB   ARG  96          HB2       ARG  96  -8.504 -17.108   4.547
  772   2HB   ARG  96          HB1       ARG  96  -7.720 -18.345   5.520
  773   1HG   ARG  96          HG2       ARG  96  -6.361 -15.984   4.235
  774   2HG   ARG  96          HG1       ARG  96  -6.788 -16.133   5.941
  775   1HD   ARG  96          HD2       ARG  96  -4.859 -17.879   4.418
  776   2HD   ARG  96          HD1       ARG  96  -4.437 -16.642   5.602
  777    HE   ARG  96           HE       ARG  96  -6.179 -18.515   6.776
  778   1HH1  ARG  96          HH11      ARG  96  -2.907 -18.215   5.630
  779   2HH1  ARG  96          HH12      ARG  96  -2.277 -19.403   6.722
  780   1HH2  ARG  96          HH21      ARG  96  -5.363 -20.082   8.219
  781   2HH2  ARG  96          HH22      ARG  96  -3.674 -20.466   8.193
  782    H    LYS  97           HN       LYS  97  -9.414 -18.473   2.042
  783    HA   LYS  97           HA       LYS  97 -10.471 -20.962   3.082
  784   1HB   LYS  97          HB2       LYS  97 -12.017 -19.976   0.870
  785   2HB   LYS  97          HB1       LYS  97 -12.475 -20.108   2.556
  786   1HG   LYS  97          HG2       LYS  97 -10.971 -17.730   1.440
  787   2HG   LYS  97          HG1       LYS  97 -12.730 -17.841   1.527
  788   1HD   LYS  97          HD2       LYS  97 -12.720 -17.918   3.880
  789   2HD   LYS  97          HD1       LYS  97 -10.982 -18.228   3.938
  790   1HE   LYS  97          HE2       LYS  97 -10.524 -16.022   3.096
  791   2HE   LYS  97          HE1       LYS  97 -12.248 -15.686   2.899
  792   1HZ   LYS  97          HZ1       LYS  97 -12.506 -15.870   5.297
  793   2HZ   LYS  97          HZ2       LYS  97 -11.358 -14.688   4.916
  794   3HZ   LYS  97          HZ3       LYS  97 -10.857 -16.202   5.480
  795    H    LYS  98           HN       LYS  98  -8.803 -22.331   2.238
  796    HA   LYS  98           HA       LYS  98  -8.950 -22.732  -0.673
  797   1HB   LYS  98          HB2       LYS  98  -6.748 -23.103   1.311
  798   2HB   LYS  98          HB1       LYS  98  -6.781 -24.131  -0.114
  799   1HG   LYS  98          HG2       LYS  98  -7.061 -21.825  -1.358
  800   2HG   LYS  98          HG1       LYS  98  -6.292 -21.203   0.107
  801   1HD   LYS  98          HD2       LYS  98  -4.444 -22.791  -0.209
  802   2HD   LYS  98          HD1       LYS  98  -5.210 -23.384  -1.683
  803   1HE   LYS  98          HE2       LYS  98  -5.128 -20.904  -2.429
  804   2HE   LYS  98          HE1       LYS  98  -3.925 -20.734  -1.151
  805   1HZ   LYS  98          HZ1       LYS  98  -3.765 -22.624  -3.435
  806   2HZ   LYS  98          HZ2       LYS  98  -2.617 -22.475  -2.202
  807   3HZ   LYS  98          HZ3       LYS  98  -2.881 -21.191  -3.271
  808   1H    MET   1          HT1       MET   1  18.275  -3.769  -1.759
  809   2H    MET   1          HT2       MET   1  19.154  -4.115  -3.158
  810   3H    MET   1          HT3       MET   1  19.723  -4.638  -1.658
  811    HA   MET   1           HA       MET   1  18.754  -6.450  -2.915
  812   1HB   MET   1          HB2       MET   1  17.722  -5.520  -0.327
  813   2HB   MET   1          HB1       MET   1  16.773  -6.772  -1.087
  814   1HG   MET   1          HG2       MET   1  18.665  -7.406   0.573
  815   2HG   MET   1          HG1       MET   1  18.473  -8.329  -0.905
  816   1HE   MET   1          HE1       MET   1  20.862  -9.264  -0.205
  817   2HE   MET   1          HE2       MET   1  21.295  -8.076   1.025
  818   3HE   MET   1          HE3       MET   1  22.363  -8.349  -0.352
  819    H    ALA   2           HN       ALA   2  16.492  -7.494  -3.150
  820    HA   ALA   2           HA       ALA   2  14.803  -5.560  -4.568
  821   1HB   ALA   2          HB1       ALA   2  15.094  -8.515  -5.083
  822   2HB   ALA   2          HB2       ALA   2  15.777  -7.224  -6.064
  823   3HB   ALA   2          HB3       ALA   2  14.030  -7.419  -5.962
  824    H    ALA   3           HN       ALA   3  12.690  -5.390  -4.048
  825    HA   ALA   3           HA       ALA   3  11.763  -6.639  -1.668
  826   1HB   ALA   3          HB1       ALA   3   9.735  -5.581  -3.500
  827   2HB   ALA   3          HB2       ALA   3  11.007  -4.439  -3.079
  828   3HB   ALA   3          HB3       ALA   3  10.045  -5.194  -1.810
  829    H    GLU   4           HN       GLU   4  12.288  -8.830  -2.301
  830    HA   GLU   4           HA       GLU   4  11.126 -10.092  -4.537
  831   1HB   GLU   4          HB2       GLU   4  11.842 -12.213  -3.332
  832   2HB   GLU   4          HB1       GLU   4  13.098 -11.036  -3.703
  833   1HG   GLU   4          HG2       GLU   4  13.736 -11.155  -1.602
  834   2HG   GLU   4          HG1       GLU   4  12.227 -10.371  -1.145
  835    H    THR   5           HN       THR   5  10.380 -10.958  -1.101
  836    HA   THR   5           HA       THR   5   7.735 -11.716  -1.998
  837    HB   THR   5           HB       THR   5   8.920 -12.020   0.766
  838    HG1  THR   5           HG1      THR   5  10.105 -13.438  -0.249
  839   1HG2  THR   5          HG21      THR   5   6.491 -13.180  -0.592
  840   2HG2  THR   5          HG22      THR   5   6.530 -12.160   0.842
  841   3HG2  THR   5          HG23      THR   5   7.139 -13.797   0.913
  842    H    LEU   6           HN       LEU   6   7.671 -10.748   1.289
  843    HA   LEU   6           HA       LEU   6   6.105  -8.379   0.569
  844   1HB   LEU   6          HB2       LEU   6   6.003 -10.375   2.800
  845   2HB   LEU   6          HB1       LEU   6   5.397  -8.768   3.082
  846    HG   LEU   6           HG       LEU   6   4.194  -9.695   0.696
  847   1HD1  LEU   6          HD11      LEU   6   4.959 -11.921   1.949
  848   2HD1  LEU   6          HD12      LEU   6   3.446 -11.801   1.054
  849   3HD1  LEU   6          HD13      LEU   6   3.450 -11.615   2.808
  850   1HD2  LEU   6          HD21      LEU   6   2.184  -9.279   1.844
  851   2HD2  LEU   6          HD22      LEU   6   3.343  -8.120   2.476
  852   3HD2  LEU   6          HD23      LEU   6   2.934  -9.556   3.410
  853    H    THR   7           HN       THR   7   7.299  -6.525   0.858
  854    HA   THR   7           HA       THR   7   9.599  -6.466   2.524
  855    HB   THR   7           HB       THR   7   8.934  -3.815   2.234
  856    HG1  THR   7           HG1      THR   7   7.869  -3.537   0.358
  857   1HG2  THR   7          HG21      THR   7  10.343  -5.420   0.090
  858   2HG2  THR   7          HG22      THR   7  11.074  -5.002   1.643
  859   3HG2  THR   7          HG23      THR   7  10.587  -3.728   0.527
  860    H    GLU   8           HN       GLU   8   9.842  -4.811   4.330
  861    HA   GLU   8           HA       GLU   8   8.483  -5.518   6.545
  862   1HB   GLU   8          HB2       GLU   8   9.263  -2.641   6.076
  863   2HB   GLU   8          HB1       GLU   8   9.182  -3.491   7.612
  864   1HG   GLU   8          HG2       GLU   8  11.181  -3.880   5.404
  865   2HG   GLU   8          HG1       GLU   8  11.466  -3.253   7.027
  866    H    LEU   9           HN       LEU   9   7.355  -3.343   4.097
  867    HA   LEU   9           HA       LEU   9   5.284  -2.015   5.287
  868   1HB   LEU   9          HB2       LEU   9   5.091  -3.242   2.574
  869   2HB   LEU   9          HB1       LEU   9   4.378  -1.748   3.121
  870    HG   LEU   9           HG       LEU   9   7.219  -2.341   2.384
  871   1HD1  LEU   9          HD11      LEU   9   6.732  -0.017   1.284
  872   2HD1  LEU   9          HD12      LEU   9   5.058  -0.544   1.451
  873   3HD1  LEU   9          HD13      LEU   9   6.208  -1.521   0.542
  874   1HD2  LEU   9          HD21      LEU   9   7.320   0.240   3.245
  875   2HD2  LEU   9          HD22      LEU   9   7.913  -1.158   4.133
  876   3HD2  LEU   9          HD23      LEU   9   6.314  -0.520   4.477
  877    H    GLU  10           HN       GLU  10   5.464  -5.402   4.526
  878    HA   GLU  10           HA       GLU  10   2.816  -6.153   4.419
  879   1HB   GLU  10          HB2       GLU  10   3.718  -8.183   5.923
  880   2HB   GLU  10          HB1       GLU  10   4.107  -8.031   4.220
  881   1HG   GLU  10          HG2       GLU  10   6.266  -7.795   4.626
  882   2HG   GLU  10          HG1       GLU  10   5.982  -6.608   5.899
  883    H    ALA  11           HN       ALA  11   4.795  -5.478   7.286
  884    HA   ALA  11           HA       ALA  11   2.940  -6.091   9.273
  885   1HB   ALA  11          HB1       ALA  11   4.232  -4.747  10.741
  886   2HB   ALA  11          HB2       ALA  11   4.837  -3.755   9.415
  887   3HB   ALA  11          HB3       ALA  11   5.370  -5.427   9.578
  888    H    ALA  12           HN       ALA  12   3.280  -3.328   7.184
  889    HA   ALA  12           HA       ALA  12   1.347  -1.692   8.481
  890   1HB   ALA  12          HB1       ALA  12   2.155  -1.548   5.582
  891   2HB   ALA  12          HB2       ALA  12   3.129  -0.888   6.894
  892   3HB   ALA  12          HB3       ALA  12   1.511  -0.254   6.591
  893    H    ILE  13           HN       ILE  13   1.258  -4.253   6.129
  894    HA   ILE  13           HA       ILE  13  -1.217  -3.864   4.988
  895    HB   ILE  13           HB       ILE  13   0.619  -5.761   4.666
  896   1HG1  ILE  13          HG12      ILE  13  -1.233  -5.136   3.138
  897   2HG1  ILE  13          HG11      ILE  13  -0.906  -6.867   3.149
  898   1HG2  ILE  13          HG21      ILE  13  -1.522  -7.452   5.877
  899   2HG2  ILE  13          HG22      ILE  13  -0.226  -6.820   6.889
  900   3HG2  ILE  13          HG23      ILE  13   0.157  -7.856   5.514
  901   1HD1  ILE  13          HD11      ILE  13  -3.192  -5.400   4.429
  902   2HD1  ILE  13          HD12      ILE  13  -2.807  -7.081   4.791
  903   3HD1  ILE  13          HD13      ILE  13  -3.247  -6.612   3.149
  904    H    GLU  14           HN       GLU  14  -0.379  -4.745   8.205
  905    HA   GLU  14           HA       GLU  14  -2.822  -5.940   8.997
  906   1HB   GLU  14          HB2       GLU  14  -0.667  -4.603  10.639
  907   2HB   GLU  14          HB1       GLU  14  -1.983  -5.567  11.297
  908   1HG   GLU  14          HG2       GLU  14  -1.161  -7.521  10.094
  909   2HG   GLU  14          HG1       GLU  14   0.152  -6.557   9.419
  910    H    THR  15           HN       THR  15  -1.642  -2.581   9.040
  911    HA   THR  15           HA       THR  15  -3.797  -1.610  10.567
  912    HB   THR  15           HB       THR  15  -1.986  -0.128   8.671
  913    HG1  THR  15           HG1      THR  15  -0.949   0.458  10.713
  914   1HG2  THR  15          HG21      THR  15  -3.781   0.901  10.870
  915   2HG2  THR  15          HG22      THR  15  -4.021   1.133   9.138
  916   3HG2  THR  15          HG23      THR  15  -2.638   1.875   9.944
  917    H    VAL  16           HN       VAL  16  -2.970  -1.226   7.179
  918    HA   VAL  16           HA       VAL  16  -5.297  -0.096   6.192
  919    HB   VAL  16           HB       VAL  16  -3.267  -0.264   4.868
  920   1HG1  VAL  16          HG11      VAL  16  -3.728  -3.244   4.955
  921   2HG1  VAL  16          HG12      VAL  16  -2.409  -2.354   5.710
  922   3HG1  VAL  16          HG13      VAL  16  -2.522  -2.437   3.954
  923   1HG2  VAL  16          HG21      VAL  16  -4.819  -0.064   3.242
  924   2HG2  VAL  16          HG22      VAL  16  -5.772  -1.428   3.806
  925   3HG2  VAL  16          HG23      VAL  16  -4.320  -1.703   2.845
  926    H    VAL  17           HN       VAL  17  -4.574  -3.513   6.768
  927    HA   VAL  17           HA       VAL  17  -6.984  -4.401   5.517
  928    HB   VAL  17           HB       VAL  17  -4.942  -5.822   5.730
  929   1HG1  VAL  17          HG11      VAL  17  -5.855  -6.264   8.566
  930   2HG1  VAL  17          HG12      VAL  17  -4.497  -5.240   8.117
  931   3HG1  VAL  17          HG13      VAL  17  -4.447  -6.965   7.768
  932   1HG2  VAL  17          HG21      VAL  17  -7.529  -6.931   6.805
  933   2HG2  VAL  17          HG22      VAL  17  -6.195  -7.900   6.180
  934   3HG2  VAL  17          HG23      VAL  17  -7.059  -6.797   5.110
  935    H    SER  18           HN       SER  18  -5.979  -3.582   8.766
  936    HA   SER  18           HA       SER  18  -8.373  -4.593  10.010
  937   1HB   SER  18          HB2       SER  18  -7.430  -3.656  12.080
  938   2HB   SER  18          HB1       SER  18  -6.245  -4.640  11.221
  939    HG   SER  18           HG       SER  18  -5.608  -2.450  12.053
  940    H    THR  19           HN       THR  19  -7.452  -1.627   8.526
  941    HA   THR  19           HA       THR  19  -9.355  -0.066  10.035
  942    HB   THR  19           HB       THR  19  -8.742   1.817   8.555
  943    HG1  THR  19           HG1      THR  19  -7.317  -0.228   7.231
  944   1HG2  THR  19          HG21      THR  19  -7.477   1.654  10.535
  945   2HG2  THR  19          HG22      THR  19  -6.293   1.875   9.246
  946   3HG2  THR  19          HG23      THR  19  -6.560   0.274   9.933
  947    H    PHE  20           HN       PHE  20  -9.107   0.219   6.551
  948    HA   PHE  20           HA       PHE  20 -11.983   0.451   6.376
  949   1HB   PHE  20          HB2       PHE  20 -10.963   2.023   5.047
  950   2HB   PHE  20          HB1       PHE  20  -9.621   0.959   4.685
  951    HD1  PHE  20           HD1      PHE  20  -9.392   0.215   2.567
  952    HD2  PHE  20           HD2      PHE  20 -13.265   1.216   3.980
  953    HE1  PHE  20           HE1      PHE  20 -10.311  -0.240   0.330
  954    HE2  PHE  20           HE2      PHE  20 -14.198   0.783   1.749
  955    HZ   PHE  20           HZ       PHE  20 -12.718   0.039  -0.081
  956    H    PHE  21           HN       PHE  21  -9.610  -1.903   5.740
  957    HA   PHE  21           HA       PHE  21 -11.173  -3.421   3.987
  958   1HB   PHE  21          HB2       PHE  21  -8.668  -3.893   5.540
  959   2HB   PHE  21          HB1       PHE  21  -9.331  -5.144   4.523
  960    HD1  PHE  21           HD1      PHE  21 -10.003  -1.993   3.107
  961    HD2  PHE  21           HD2      PHE  21  -6.874  -4.825   3.654
  962    HE1  PHE  21           HE1      PHE  21  -8.766  -1.002   1.235
  963    HE2  PHE  21           HE2      PHE  21  -5.643  -3.815   1.809
  964    HZ   PHE  21           HZ       PHE  21  -6.579  -1.907   0.578
  965    H    THR  22           HN       THR  22 -11.159  -3.065   7.355
  966    HA   THR  22           HA       THR  22 -12.178  -5.646   7.973
  967    HB   THR  22           HB       THR  22 -12.912  -4.586  10.112
  968    HG1  THR  22           HG1      THR  22 -12.861  -2.400   8.813
  969   1HG2  THR  22          HG21      THR  22 -10.074  -4.175   9.194
  970   2HG2  THR  22          HG22      THR  22 -10.749  -5.646   9.892
  971   3HG2  THR  22          HG23      THR  22 -10.594  -4.198  10.882
  972    H    PHE  23           HN       PHE  23 -13.459  -2.818   6.562
  973    HA   PHE  23           HA       PHE  23 -16.159  -3.107   7.240
  974   1HB   PHE  23          HB2       PHE  23 -16.157  -1.162   6.141
  975   2HB   PHE  23          HB1       PHE  23 -14.546  -1.487   5.539
  976    HD1  PHE  23           HD1      PHE  23 -17.864  -2.973   4.591
  977    HD2  PHE  23           HD2      PHE  23 -14.440  -0.742   3.434
  978    HE1  PHE  23           HE1      PHE  23 -18.709  -2.885   2.299
  979    HE2  PHE  23           HE2      PHE  23 -15.287  -0.647   1.136
  980    HZ   PHE  23           HZ       PHE  23 -17.427  -1.699   0.579
  981    H    ALA  24           HN       ALA  24 -14.066  -4.945   5.218
  982    HA   ALA  24           HA       ALA  24 -15.664  -6.228   3.400
  983   1HB   ALA  24          HB1       ALA  24 -13.180  -6.681   4.206
  984   2HB   ALA  24          HB2       ALA  24 -14.110  -7.932   3.390
  985   3HB   ALA  24          HB3       ALA  24 -13.957  -7.949   5.148
  986    H    GLY  25           HN       GLY  25 -15.358  -6.797   6.830
  987   1HA   GLY  25          HA2       GLY  25 -16.862  -9.046   7.228
  988   2HA   GLY  25          HA1       GLY  25 -16.807  -7.703   8.373
  989    H    ARG  26           HN       ARG  26 -18.041  -5.903   6.236
  990    HA   ARG  26           HA       ARG  26 -20.671  -5.871   6.979
  991   1HB   ARG  26          HB2       ARG  26 -19.837  -4.109   5.577
  992   2HB   ARG  26          HB1       ARG  26 -19.448  -5.236   4.279
  993   1HG   ARG  26          HG2       ARG  26 -21.462  -4.957   3.392
  994   2HG   ARG  26          HG1       ARG  26 -22.236  -5.429   4.904
  995   1HD   ARG  26          HD2       ARG  26 -21.255  -2.666   4.207
  996   2HD   ARG  26          HD1       ARG  26 -22.936  -3.198   4.187
  997    HE   ARG  26           HE       ARG  26 -21.598  -3.552   6.718
  998   1HH1  ARG  26          HH11      ARG  26 -23.484  -1.408   4.722
  999   2HH1  ARG  26          HH12      ARG  26 -24.092  -0.490   6.059
 1000   1HH2  ARG  26          HH21      ARG  26 -22.395  -2.350   8.485
 1001   2HH2  ARG  26          HH22      ARG  26 -23.472  -1.024   8.197
 1002    H    GLU  27           HN       GLU  27 -19.429  -7.383   4.047
 1003    HA   GLU  27           HA       GLU  27 -21.110  -9.728   4.515
 1004   1HB   GLU  27          HB2       GLU  27 -21.824  -9.686   2.084
 1005   2HB   GLU  27          HB1       GLU  27 -22.588  -8.483   3.117
 1006   1HG   GLU  27          HG2       GLU  27 -21.003  -6.802   2.301
 1007   2HG   GLU  27          HG1       GLU  27 -20.292  -8.008   1.231
 1008    H    GLY  28           HN       GLY  28 -19.116 -10.713   4.955
 1009   1HA   GLY  28          HA2       GLY  28 -17.739 -11.623   2.577
 1010   2HA   GLY  28          HA1       GLY  28 -16.757 -10.684   3.686
 1011    H    ARG  29           HN       ARG  29 -19.101 -13.403   3.907
 1012    HA   ARG  29           HA       ARG  29 -18.133 -14.525   6.217
 1013   1HB   ARG  29          HB2       ARG  29 -20.093 -15.460   5.183
 1014   2HB   ARG  29          HB1       ARG  29 -19.190 -15.895   3.739
 1015   1HG   ARG  29          HG2       ARG  29 -17.824 -17.427   5.242
 1016   2HG   ARG  29          HG1       ARG  29 -19.079 -17.160   6.457
 1017   1HD   ARG  29          HD2       ARG  29 -19.467 -18.299   3.693
 1018   2HD   ARG  29          HD1       ARG  29 -19.512 -19.199   5.208
 1019    HE   ARG  29           HE       ARG  29 -21.413 -17.170   5.377
 1020   1HH1  ARG  29          HH11      ARG  29 -20.812 -20.044   3.506
 1021   2HH1  ARG  29          HH12      ARG  29 -22.490 -20.372   3.227
 1022   1HH2  ARG  29          HH21      ARG  29 -23.630 -17.593   5.016
 1023   2HH2  ARG  29          HH22      ARG  29 -24.092 -18.978   4.085
 1024    H    LYS  30           HN       LYS  30 -17.240 -15.648   2.988
 1025    HA   LYS  30           HA       LYS  30 -14.447 -15.859   3.807
 1026   1HB   LYS  30          HB2       LYS  30 -16.125 -18.111   2.690
 1027   2HB   LYS  30          HB1       LYS  30 -14.370 -18.108   2.593
 1028   1HG   LYS  30          HG2       LYS  30 -14.259 -17.988   5.052
 1029   2HG   LYS  30          HG1       LYS  30 -16.019 -18.077   5.110
 1030   1HD   LYS  30          HD2       LYS  30 -15.967 -20.259   4.036
 1031   2HD   LYS  30          HD1       LYS  30 -14.209 -20.166   3.900
 1032   1HE   LYS  30          HE2       LYS  30 -14.046 -20.079   6.353
 1033   2HE   LYS  30          HE1       LYS  30 -15.800 -20.225   6.463
 1034   1HZ   LYS  30          HZ1       LYS  30 -15.664 -22.384   5.408
 1035   2HZ   LYS  30          HZ2       LYS  30 -14.686 -22.353   6.788
 1036   3HZ   LYS  30          HZ3       LYS  30 -13.984 -22.241   5.253
 1037    H    GLY  31           HN       GLY  31 -15.820 -13.949   2.187
 1038   1HA   GLY  31          HA2       GLY  31 -14.640 -14.614  -0.453
 1039   2HA   GLY  31          HA1       GLY  31 -16.195 -13.805  -0.313
 1040    H    SER  32           HN       SER  32 -16.234 -11.620  -0.139
 1041    HA   SER  32           HA       SER  32 -13.754 -10.275   0.471
 1042   1HB   SER  32          HB2       SER  32 -14.409  -8.749  -1.624
 1043   2HB   SER  32          HB1       SER  32 -13.305 -10.109  -1.725
 1044    HG   SER  32           HG       SER  32 -16.078 -10.449  -2.093
 1045    H    LEU  33           HN       LEU  33 -13.982  -7.893   0.067
 1046    HA   LEU  33           HA       LEU  33 -16.182  -6.863   1.653
 1047   1HB   LEU  33          HB2       LEU  33 -14.028  -6.099   2.352
 1048   2HB   LEU  33          HB1       LEU  33 -13.528  -5.831   0.720
 1049    HG   LEU  33           HG       LEU  33 -15.761  -4.168   1.710
 1050   1HD1  LEU  33          HD11      LEU  33 -13.614  -2.681   2.452
 1051   2HD1  LEU  33          HD12      LEU  33 -13.114  -4.290   2.953
 1052   3HD1  LEU  33          HD13      LEU  33 -14.613  -3.617   3.555
 1053   1HD2  LEU  33          HD21      LEU  33 -13.294  -3.357   0.193
 1054   2HD2  LEU  33          HD22      LEU  33 -14.870  -2.587   0.221
 1055   3HD2  LEU  33          HD23      LEU  33 -14.658  -4.124  -0.609
 1056    H    ASN  34           HN       ASN  34 -17.410  -4.952   0.775
 1057    HA   ASN  34           HA       ASN  34 -17.254  -5.014  -2.148
 1058   1HB   ASN  34          HB2       ASN  34 -19.687  -4.821  -2.198
 1059   2HB   ASN  34          HB1       ASN  34 -19.199  -6.215  -1.242
 1060   1HD2  ASN  34          HD21      ASN  34 -19.309  -6.107   1.021
 1061   2HD2  ASN  34          HD22      ASN  34 -20.376  -4.997   1.801
 1062    H    ILE  35           HN       ILE  35 -19.517  -2.942  -1.740
 1063    HA   ILE  35           HA       ILE  35 -17.775  -0.707  -1.096
 1064    HB   ILE  35           HB       ILE  35 -19.169   0.531  -2.956
 1065   1HG1  ILE  35          HG12      ILE  35 -20.464  -1.584  -3.474
 1066   2HG1  ILE  35          HG11      ILE  35 -19.683  -0.828  -4.859
 1067   1HG2  ILE  35          HG21      ILE  35 -16.715  -1.166  -3.227
 1068   2HG2  ILE  35          HG22      ILE  35 -16.838   0.579  -3.007
 1069   3HG2  ILE  35          HG23      ILE  35 -17.286  -0.150  -4.543
 1070   1HD1  ILE  35          HD11      ILE  35 -19.461  -3.481  -3.973
 1071   2HD1  ILE  35          HD12      ILE  35 -17.897  -2.718  -3.686
 1072   3HD1  ILE  35          HD13      ILE  35 -18.604  -2.703  -5.304
 1073    H    ASN  36           HN       ASN  36 -19.893  -2.016   0.430
 1074    HA   ASN  36           HA       ASN  36 -22.065  -0.117   0.508
 1075   1HB   ASN  36          HB2       ASN  36 -21.357  -2.465   2.281
 1076   2HB   ASN  36          HB1       ASN  36 -22.745  -1.423   2.565
 1077   1HD2  ASN  36          HD21      ASN  36 -23.639  -1.053  -0.033
 1078   2HD2  ASN  36          HD22      ASN  36 -24.201  -2.561  -0.652
 1079    H    GLU  37           HN       GLU  37 -19.824  -1.233   3.074
 1080    HA   GLU  37           HA       GLU  37 -20.130   1.292   4.362
 1081   1HB   GLU  37          HB2       GLU  37 -17.763  -0.393   4.968
 1082   2HB   GLU  37          HB1       GLU  37 -18.770   0.563   6.036
 1083   1HG   GLU  37          HG2       GLU  37 -20.589  -1.067   5.723
 1084   2HG   GLU  37          HG1       GLU  37 -19.500  -2.071   4.766
 1085    H    PHE  38           HN       PHE  38 -18.292   0.289   1.674
 1086    HA   PHE  38           HA       PHE  38 -16.076   1.949   1.851
 1087   1HB   PHE  38          HB2       PHE  38 -16.597   0.253   0.029
 1088   2HB   PHE  38          HB1       PHE  38 -17.686   1.447  -0.665
 1089    HD1  PHE  38           HD1      PHE  38 -14.548   0.085  -0.911
 1090    HD2  PHE  38           HD2      PHE  38 -16.494   3.857  -0.922
 1091    HE1  PHE  38           HE1      PHE  38 -12.650   1.050  -2.147
 1092    HE2  PHE  38           HE2      PHE  38 -14.601   4.839  -2.155
 1093    HZ   PHE  38           HZ       PHE  38 -12.676   3.433  -2.771
 1094    H    LYS  39           HN       LYS  39 -19.451   2.506   1.285
 1095    HA   LYS  39           HA       LYS  39 -19.412   5.119   0.279
 1096   1HB   LYS  39          HB2       LYS  39 -21.466   3.957   2.154
 1097   2HB   LYS  39          HB1       LYS  39 -21.714   5.236   0.971
 1098   1HG   LYS  39          HG2       LYS  39 -20.660   2.810  -0.186
 1099   2HG   LYS  39          HG1       LYS  39 -22.208   2.553   0.622
 1100   1HD   LYS  39          HD2       LYS  39 -21.670   4.678  -1.451
 1101   2HD   LYS  39          HD1       LYS  39 -22.446   3.123  -1.768
 1102   1HE   LYS  39          HE2       LYS  39 -23.466   5.235   0.130
 1103   2HE   LYS  39          HE1       LYS  39 -24.081   4.938  -1.495
 1104   1HZ   LYS  39          HZ1       LYS  39 -25.464   3.869   0.154
 1105   2HZ   LYS  39          HZ2       LYS  39 -24.140   3.014   0.767
 1106   3HZ   LYS  39          HZ3       LYS  39 -24.699   2.698  -0.798
 1107    H    GLU  40           HN       GLU  40 -18.531   3.894   3.303
 1108    HA   GLU  40           HA       GLU  40 -18.803   6.357   4.761
 1109   1HB   GLU  40          HB2       GLU  40 -17.226   3.888   5.501
 1110   2HB   GLU  40          HB1       GLU  40 -17.818   5.139   6.590
 1111   1HG   GLU  40          HG2       GLU  40 -19.506   3.215   5.016
 1112   2HG   GLU  40          HG1       GLU  40 -19.124   3.086   6.732
 1113    H    LEU  41           HN       LEU  41 -16.809   5.380   2.318
 1114    HA   LEU  41           HA       LEU  41 -14.279   6.173   3.392
 1115   1HB   LEU  41          HB2       LEU  41 -15.089   5.561   0.562
 1116   2HB   LEU  41          HB1       LEU  41 -13.447   5.835   1.089
 1117    HG   LEU  41           HG       LEU  41 -15.088   3.434   1.158
 1118   1HD1  LEU  41          HD11      LEU  41 -13.217   2.521   0.384
 1119   2HD1  LEU  41          HD12      LEU  41 -12.226   3.241   1.652
 1120   3HD1  LEU  41          HD13      LEU  41 -12.647   4.180   0.220
 1121   1HD2  LEU  41          HD21      LEU  41 -14.951   4.136   3.633
 1122   2HD2  LEU  41          HD22      LEU  41 -13.234   3.769   3.495
 1123   3HD2  LEU  41          HD23      LEU  41 -14.435   2.512   3.203
 1124    H    ALA  42           HN       ALA  42 -15.501   7.291   0.266
 1125    HA   ALA  42           HA       ALA  42 -14.212   9.726   0.248
 1126   1HB   ALA  42          HB1       ALA  42 -16.390  10.448  -1.079
 1127   2HB   ALA  42          HB2       ALA  42 -16.648   8.708  -1.064
 1128   3HB   ALA  42          HB3       ALA  42 -15.178   9.373  -1.762
 1129    H    THR  43           HN       THR  43 -17.319   8.903   1.561
 1130    HA   THR  43           HA       THR  43 -18.329  11.306   2.286
 1131    HB   THR  43           HB       THR  43 -19.251  10.026   4.344
 1132    HG1  THR  43           HG1      THR  43 -18.155   7.855   2.834
 1133   1HG2  THR  43          HG21      THR  43 -20.618  10.421   2.440
 1134   2HG2  THR  43          HG22      THR  43 -20.748   8.698   2.804
 1135   3HG2  THR  43          HG23      THR  43 -19.718   9.248   1.482
 1136    H    GLN  44           HN       GLN  44 -16.367   9.233   4.370
 1137    HA   GLN  44           HA       GLN  44 -15.916  11.317   6.306
 1138   1HB   GLN  44          HB2       GLN  44 -14.666   8.573   6.115
 1139   2HB   GLN  44          HB1       GLN  44 -14.777   9.593   7.552
 1140   1HG   GLN  44          HG2       GLN  44 -17.189   9.358   7.563
 1141   2HG   GLN  44          HG1       GLN  44 -17.125   8.416   6.065
 1142   1HE2  GLN  44          HE21      GLN  44 -18.162   7.726   8.734
 1143   2HE2  GLN  44          HE22      GLN  44 -17.322   6.292   9.207
 1144    H    GLN  45           HN       GLN  45 -13.900   9.532   3.984
 1145    HA   GLN  45           HA       GLN  45 -11.529  10.929   4.652
 1146   1HB   GLN  45          HB2       GLN  45 -10.494   9.695   2.999
 1147   2HB   GLN  45          HB1       GLN  45 -11.817   8.657   3.504
 1148   1HG   GLN  45          HG2       GLN  45 -12.893   8.821   1.526
 1149   2HG   GLN  45          HG1       GLN  45 -12.300  10.449   1.193
 1150   1HE2  GLN  45          HE21      GLN  45 -11.884   7.140   0.607
 1151   2HE2  GLN  45          HE22      GLN  45 -10.396   7.246  -0.277
 1152    H    LEU  46           HN       LEU  46 -14.280  11.873   2.898
 1153    HA   LEU  46           HA       LEU  46 -13.563  13.484   0.903
 1154   1HB   LEU  46          HB2       LEU  46 -15.715  13.560   2.846
 1155   2HB   LEU  46          HB1       LEU  46 -15.223  15.176   2.385
 1156    HG   LEU  46           HG       LEU  46 -16.376  13.034   0.626
 1157   1HD1  LEU  46          HD11      LEU  46 -17.967  14.797   0.074
 1158   2HD1  LEU  46          HD12      LEU  46 -17.130  15.896   1.170
 1159   3HD1  LEU  46          HD13      LEU  46 -17.942  14.465   1.806
 1160   1HD2  LEU  46          HD21      LEU  46 -16.000  14.744  -1.220
 1161   2HD2  LEU  46          HD22      LEU  46 -14.602  13.802  -0.705
 1162   3HD2  LEU  46          HD23      LEU  46 -14.797  15.466  -0.150
 1163    HA   PRO  47           HA       PRO  47 -11.836  16.988   3.379
 1164   1HB   PRO  47          HB2       PRO  47 -12.248  17.382   5.976
 1165   2HB   PRO  47          HB1       PRO  47 -13.505  17.788   4.800
 1166   1HG   PRO  47          HG2       PRO  47 -13.246  15.354   6.534
 1167   2HG   PRO  47          HG1       PRO  47 -14.686  16.335   6.201
 1168   1HD   PRO  47          HD2       PRO  47 -14.126  13.982   4.916
 1169   2HD   PRO  47          HD1       PRO  47 -15.076  15.298   4.204
 1170    H    HIS  48           HN       HIS  48 -10.086  15.787   2.931
 1171    HA   HIS  48           HA       HIS  48  -8.615  14.660   5.167
 1172   1HB   HIS  48          HB2       HIS  48  -8.837  14.179   2.358
 1173   2HB   HIS  48          HB1       HIS  48  -7.144  14.515   2.765
 1174    HD1  HIS  48           HD1      HIS  48  -9.923  12.109   3.446
 1175    HD2  HIS  48           HD2      HIS  48  -5.890  12.549   4.309
 1176    HE1  HIS  48           HE1      HIS  48  -9.227   9.938   4.493
 1177    HE2  HIS  48           HE2      HIS  48  -6.749  10.177   4.876
 1178    H    LEU  49           HN       LEU  49  -6.037  15.269   4.123
 1179    HA   LEU  49           HA       LEU  49  -5.854  18.055   4.829
 1180   1HB   LEU  49          HB2       LEU  49  -4.103  16.571   5.612
 1181   2HB   LEU  49          HB1       LEU  49  -3.767  16.032   3.980
 1182    HG   LEU  49           HG       LEU  49  -2.802  18.143   3.395
 1183   1HD1  LEU  49          HD11      LEU  49  -3.705  19.100   6.108
 1184   2HD1  LEU  49          HD12      LEU  49  -4.356  19.608   4.550
 1185   3HD1  LEU  49          HD13      LEU  49  -2.694  20.008   4.985
 1186   1HD2  LEU  49          HD21      LEU  49  -1.392  16.563   4.662
 1187   2HD2  LEU  49          HD22      LEU  49  -1.849  17.386   6.154
 1188   3HD2  LEU  49          HD23      LEU  49  -0.929  18.245   4.919
 1189    H    LEU  50           HN       LEU  50  -4.098  16.542   2.165
 1190    HA   LEU  50           HA       LEU  50  -4.894  18.673   0.359
 1191   1HB   LEU  50          HB2       LEU  50  -2.548  17.848   0.439
 1192   2HB   LEU  50          HB1       LEU  50  -3.103  16.284  -0.127
 1193    HG   LEU  50           HG       LEU  50  -3.819  17.286  -2.245
 1194   1HD1  LEU  50          HD11      LEU  50  -3.209  19.611  -2.763
 1195   2HD1  LEU  50          HD12      LEU  50  -2.718  19.841  -1.085
 1196   3HD1  LEU  50          HD13      LEU  50  -4.404  19.502  -1.472
 1197   1HD2  LEU  50          HD21      LEU  50  -1.597  17.818  -3.132
 1198   2HD2  LEU  50          HD22      LEU  50  -1.557  16.407  -2.075
 1199   3HD2  LEU  50          HD23      LEU  50  -0.980  17.966  -1.486
 1200    H    LYS  51           HN       LYS  51  -7.151  17.409   0.980
 1201    HA   LYS  51           HA       LYS  51  -7.989  15.107  -0.032
 1202   1HB   LYS  51          HB2       LYS  51  -9.516  16.377   1.178
 1203   2HB   LYS  51          HB1       LYS  51  -9.387  17.751   0.094
 1204   1HG   LYS  51          HG2       LYS  51 -10.484  16.270  -1.648
 1205   2HG   LYS  51          HG1       LYS  51 -10.888  15.148  -0.342
 1206   1HD   LYS  51          HD2       LYS  51 -11.938  17.871  -1.008
 1207   2HD   LYS  51          HD1       LYS  51 -12.799  16.436  -0.465
 1208   1HE   LYS  51          HE2       LYS  51 -12.912  17.367   1.555
 1209   2HE   LYS  51          HE1       LYS  51 -11.170  17.165   1.674
 1210   1HZ   LYS  51          HZ1       LYS  51 -11.753  19.443   2.093
 1211   2HZ   LYS  51          HZ2       LYS  51 -12.566  19.556   0.614
 1212   3HZ   LYS  51          HZ3       LYS  51 -10.887  19.350   0.641
 1213    H    ASP  52           HN       ASP  52  -9.332  14.532  -1.848
 1214    HA   ASP  52           HA       ASP  52  -8.199  15.557  -4.364
 1215   1HB   ASP  52          HB2       ASP  52  -9.473  12.899  -3.672
 1216   2HB   ASP  52          HB1       ASP  52  -9.074  13.384  -5.317
 1217    H    VAL  53           HN       VAL  53 -11.115  14.722  -2.605
 1218    HA   VAL  53           HA       VAL  53 -13.089  15.852  -2.617
 1219    HB   VAL  53           HB       VAL  53 -11.878  17.574  -4.147
 1220   1HG1  VAL  53          HG11      VAL  53 -13.966  16.877  -6.140
 1221   2HG1  VAL  53          HG12      VAL  53 -12.432  16.015  -6.206
 1222   3HG1  VAL  53          HG13      VAL  53 -12.462  17.773  -6.348
 1223   1HG2  VAL  53          HG21      VAL  53 -14.865  17.333  -3.924
 1224   2HG2  VAL  53          HG22      VAL  53 -13.990  18.816  -4.310
 1225   3HG2  VAL  53          HG23      VAL  53 -13.770  18.045  -2.739
 1226    H    GLY  54           HN       GLY  54 -13.606  13.690  -2.479
 1227   1HA   GLY  54          HA2       GLY  54 -14.381  12.057  -4.616
 1228   2HA   GLY  54          HA1       GLY  54 -15.054  11.949  -2.993
 1229    H    SER  55           HN       SER  55 -15.488  13.090  -6.223
 1230    HA   SER  55           HA       SER  55 -17.692  14.791  -5.837
 1231   1HB   SER  55          HB2       SER  55 -16.251  14.518  -7.913
 1232   2HB   SER  55          HB1       SER  55 -17.210  13.082  -8.274
 1233    HG   SER  55           HG       SER  55 -19.077  14.449  -8.223
 1234    H    LEU  56           HN       LEU  56 -19.908  14.419  -5.966
 1235    HA   LEU  56           HA       LEU  56 -20.941  12.224  -4.700
 1236   1HB   LEU  56          HB2       LEU  56 -22.335  13.901  -6.792
 1237   2HB   LEU  56          HB1       LEU  56 -23.135  12.859  -5.632
 1238    HG   LEU  56           HG       LEU  56 -21.542  15.342  -4.994
 1239   1HD1  LEU  56          HD11      LEU  56 -23.721  15.815  -5.965
 1240   2HD1  LEU  56          HD12      LEU  56 -23.698  16.228  -4.250
 1241   3HD1  LEU  56          HD13      LEU  56 -24.491  14.748  -4.790
 1242   1HD2  LEU  56          HD21      LEU  56 -21.259  13.641  -3.265
 1243   2HD2  LEU  56          HD22      LEU  56 -23.009  13.457  -3.152
 1244   3HD2  LEU  56          HD23      LEU  56 -22.251  14.980  -2.686
 1245    H    ASP  57           HN       ASP  57 -20.733  12.715  -8.212
 1246    HA   ASP  57           HA       ASP  57 -21.851  10.216  -8.888
 1247   1HB   ASP  57          HB2       ASP  57 -20.497  10.603 -11.065
 1248   2HB   ASP  57          HB1       ASP  57 -21.881  11.639 -10.711
 1249    H    GLU  58           HN       GLU  58 -18.584  11.335  -8.777
 1250    HA   GLU  58           HA       GLU  58 -17.210   9.080  -9.551
 1251   1HB   GLU  58          HB2       GLU  58 -16.502  11.220  -7.545
 1252   2HB   GLU  58          HB1       GLU  58 -15.379   9.933  -7.978
 1253   1HG   GLU  58          HG2       GLU  58 -15.667  10.655 -10.379
 1254   2HG   GLU  58          HG1       GLU  58 -16.504  12.074  -9.758
 1255    H    LYS  59           HN       LYS  59 -18.242  10.015  -6.298
 1256    HA   LYS  59           HA       LYS  59 -17.347   7.743  -5.004
 1257   1HB   LYS  59          HB2       LYS  59 -19.683   9.515  -4.324
 1258   2HB   LYS  59          HB1       LYS  59 -18.985   8.322  -3.228
 1259   1HG   LYS  59          HG2       LYS  59 -17.002   9.518  -3.001
 1260   2HG   LYS  59          HG1       LYS  59 -17.293  10.470  -4.453
 1261   1HD   LYS  59          HD2       LYS  59 -17.590  11.761  -2.373
 1262   2HD   LYS  59          HD1       LYS  59 -19.057  11.694  -3.352
 1263   1HE   LYS  59          HE2       LYS  59 -19.776   9.761  -1.891
 1264   2HE   LYS  59          HE1       LYS  59 -18.423  10.172  -0.838
 1265   1HZ   LYS  59          HZ1       LYS  59 -19.375  12.414  -0.621
 1266   2HZ   LYS  59          HZ2       LYS  59 -20.407  11.214  -0.027
 1267   3HZ   LYS  59          HZ3       LYS  59 -20.716  11.925  -1.530
 1268    H    MET  60           HN       MET  60 -20.076   8.246  -7.027
 1269    HA   MET  60           HA       MET  60 -21.416   5.820  -6.204
 1270   1HB   MET  60          HB2       MET  60 -21.966   7.831  -8.379
 1271   2HB   MET  60          HB1       MET  60 -22.925   6.370  -8.167
 1272   1HG   MET  60          HG2       MET  60 -23.514   7.078  -5.908
 1273   2HG   MET  60          HG1       MET  60 -22.552   8.539  -6.113
 1274   1HE   MET  60          HE1       MET  60 -25.686   6.529  -7.335
 1275   2HE   MET  60          HE2       MET  60 -24.792   6.792  -8.833
 1276   3HE   MET  60          HE3       MET  60 -26.340   7.599  -8.576
 1277    H    LYS  61           HN       LYS  61 -19.410   6.849  -8.897
 1278    HA   LYS  61           HA       LYS  61 -19.776   4.403 -10.387
 1279   1HB   LYS  61          HB2       LYS  61 -17.351   5.881 -11.047
 1280   2HB   LYS  61          HB1       LYS  61 -18.707   5.440 -12.066
 1281   1HG   LYS  61          HG2       LYS  61 -18.554   7.838 -10.256
 1282   2HG   LYS  61          HG1       LYS  61 -18.378   7.839 -12.010
 1283   1HD   LYS  61          HD2       LYS  61 -20.857   7.076 -10.464
 1284   2HD   LYS  61          HD1       LYS  61 -20.617   8.543 -11.412
 1285   1HE   LYS  61          HE2       LYS  61 -20.621   5.724 -12.485
 1286   2HE   LYS  61          HE1       LYS  61 -21.937   6.887 -12.637
 1287   1HZ   LYS  61          HZ1       LYS  61 -19.210   7.196 -13.776
 1288   2HZ   LYS  61          HZ2       LYS  61 -20.464   8.323 -13.915
 1289   3HZ   LYS  61          HZ3       LYS  61 -20.608   6.804 -14.646
 1290    H    THR  62           HN       THR  62 -17.188   5.796  -8.440
 1291    HA   THR  62           HA       THR  62 -15.282   3.855  -8.794
 1292    HB   THR  62           HB       THR  62 -15.838   5.337  -6.231
 1293    HG1  THR  62           HG1      THR  62 -15.500   6.650  -8.142
 1294   1HG2  THR  62          HG21      THR  62 -14.317   3.463  -5.891
 1295   2HG2  THR  62          HG22      THR  62 -13.437   4.989  -5.795
 1296   3HG2  THR  62          HG23      THR  62 -13.330   3.999  -7.251
 1297    H    LEU  63           HN       LEU  63 -18.284   3.577  -7.075
 1298    HA   LEU  63           HA       LEU  63 -17.742   1.563  -5.260
 1299   1HB   LEU  63          HB2       LEU  63 -20.134   2.209  -6.923
 1300   2HB   LEU  63          HB1       LEU  63 -20.107   0.684  -6.061
 1301    HG   LEU  63           HG       LEU  63 -19.405   2.488  -4.108
 1302   1HD1  LEU  63          HD11      LEU  63 -20.072   4.220  -5.901
 1303   2HD1  LEU  63          HD12      LEU  63 -20.691   4.406  -4.260
 1304   3HD1  LEU  63          HD13      LEU  63 -21.723   3.733  -5.521
 1305   1HD2  LEU  63          HD21      LEU  63 -22.165   1.504  -4.822
 1306   2HD2  LEU  63          HD22      LEU  63 -21.645   2.088  -3.241
 1307   3HD2  LEU  63          HD23      LEU  63 -20.958   0.605  -3.903
 1308    H    ASP  64           HN       ASP  64 -19.131   0.980  -8.467
 1309    HA   ASP  64           HA       ASP  64 -18.582  -1.727  -8.630
 1310   1HB   ASP  64          HB2       ASP  64 -18.682   0.335 -10.835
 1311   2HB   ASP  64          HB1       ASP  64 -18.680  -1.407 -11.114
 1312    H    VAL  65           HN       VAL  65 -16.502   1.023  -9.313
 1313    HA   VAL  65           HA       VAL  65 -14.362  -0.371 -10.511
 1314    HB   VAL  65           HB       VAL  65 -14.288   2.172  -8.870
 1315   1HG1  VAL  65          HG11      VAL  65 -12.170   2.625 -10.011
 1316   2HG1  VAL  65          HG12      VAL  65 -12.256   1.048 -10.797
 1317   3HG1  VAL  65          HG13      VAL  65 -12.081   1.152  -9.045
 1318   1HG2  VAL  65          HG21      VAL  65 -14.351   3.329 -11.008
 1319   2HG2  VAL  65          HG22      VAL  65 -15.770   2.297 -10.824
 1320   3HG2  VAL  65          HG23      VAL  65 -14.436   1.786 -11.859
 1321    H    ASN  66           HN       ASN  66 -14.278   1.082  -7.259
 1322    HA   ASN  66           HA       ASN  66 -12.402  -0.910  -6.339
 1323   1HB   ASN  66          HB2       ASN  66 -13.780   1.363  -4.924
 1324   2HB   ASN  66          HB1       ASN  66 -12.601   0.297  -4.172
 1325   1HD2  ASN  66          HD21      ASN  66 -11.171   1.980  -3.768
 1326   2HD2  ASN  66          HD22      ASN  66 -10.261   2.743  -5.022
 1327    H    GLN  67           HN       GLN  67 -14.561  -2.271  -7.059
 1328    HA   GLN  67           HA       GLN  67 -16.563  -2.652  -5.145
 1329   1HB   GLN  67          HB2       GLN  67 -16.966  -3.347  -7.351
 1330   2HB   GLN  67          HB1       GLN  67 -15.449  -4.206  -7.445
 1331   1HG   GLN  67          HG2       GLN  67 -17.516  -5.133  -5.524
 1332   2HG   GLN  67          HG1       GLN  67 -17.747  -5.441  -7.241
 1333   1HE2  GLN  67          HE21      GLN  67 -14.805  -5.776  -7.674
 1334   2HE2  GLN  67          HE22      GLN  67 -14.422  -7.322  -7.025
 1335    H    ASP  68           HN       ASP  68 -13.932  -4.843  -6.013
 1336    HA   ASP  68           HA       ASP  68 -14.054  -6.073  -3.389
 1337   1HB   ASP  68          HB2       ASP  68 -12.865  -6.824  -6.003
 1338   2HB   ASP  68          HB1       ASP  68 -12.072  -7.425  -4.549
 1339    H    SER  69           HN       SER  69 -13.012  -3.291  -3.675
 1340    HA   SER  69           HA       SER  69 -10.309  -2.976  -3.713
 1341   1HB   SER  69          HB2       SER  69 -10.675  -1.328  -1.728
 1342   2HB   SER  69          HB1       SER  69 -11.515  -1.007  -3.246
 1343    HG   SER  69           HG       SER  69 -13.307  -1.160  -2.176
 1344    H    GLU  70           HN       GLU  70 -12.259  -4.492  -1.307
 1345    HA   GLU  70           HA       GLU  70  -9.843  -5.578  -0.047
 1346   1HB   GLU  70          HB2       GLU  70 -10.643  -4.190   1.662
 1347   2HB   GLU  70          HB1       GLU  70 -12.307  -4.521   1.238
 1348   1HG   GLU  70          HG2       GLU  70 -11.868  -5.648   3.295
 1349   2HG   GLU  70          HG1       GLU  70 -11.985  -6.879   2.038
 1350    H    LEU  71           HN       LEU  71 -10.054  -7.659   0.705
 1351    HA   LEU  71           HA       LEU  71 -12.476  -9.036   0.153
 1352   1HB   LEU  71          HB2       LEU  71 -11.245 -10.801  -1.099
 1353   2HB   LEU  71          HB1       LEU  71 -11.562  -9.282  -1.929
 1354    HG   LEU  71           HG       LEU  71  -9.305 -10.162  -2.289
 1355   1HD1  LEU  71          HD11      LEU  71  -8.805  -7.692  -0.775
 1356   2HD1  LEU  71          HD12      LEU  71 -10.106  -7.610  -1.955
 1357   3HD1  LEU  71          HD13      LEU  71  -8.499  -8.020  -2.466
 1358   1HD2  LEU  71          HD21      LEU  71  -7.753 -10.459  -0.661
 1359   2HD2  LEU  71          HD22      LEU  71  -9.221 -11.065   0.085
 1360   3HD2  LEU  71          HD23      LEU  71  -8.627  -9.457   0.493
 1361    H    ARG  72           HN       ARG  72 -12.314 -11.341   0.676
 1362    HA   ARG  72           HA       ARG  72 -10.766 -11.742   3.124
 1363   1HB   ARG  72          HB2       ARG  72 -13.087 -13.433   2.268
 1364   2HB   ARG  72          HB1       ARG  72 -12.504 -13.110   3.896
 1365   1HG   ARG  72          HG2       ARG  72 -14.065 -11.276   2.102
 1366   2HG   ARG  72          HG1       ARG  72 -14.602 -12.017   3.612
 1367   1HD   ARG  72          HD2       ARG  72 -12.510  -9.888   3.231
 1368   2HD   ARG  72          HD1       ARG  72 -14.061  -9.745   4.059
 1369    HE   ARG  72           HE       ARG  72 -12.807 -11.678   5.463
 1370   1HH1  ARG  72          HH11      ARG  72 -11.869  -8.480   4.462
 1371   2HH1  ARG  72          HH12      ARG  72 -10.849  -8.207   5.834
 1372   1HH2  ARG  72          HH21      ARG  72 -11.466 -11.335   7.275
 1373   2HH2  ARG  72          HH22      ARG  72 -10.619  -9.832   7.436
 1374    H    PHE  73           HN       PHE  73 -11.171 -12.657  -0.156
 1375    HA   PHE  73           HA       PHE  73  -9.770 -15.171   0.260
 1376   1HB   PHE  73          HB2       PHE  73 -10.561 -15.621  -2.175
 1377   2HB   PHE  73          HB1       PHE  73 -11.642 -15.826  -0.838
 1378    HD1  PHE  73           HD1      PHE  73 -10.922 -12.427  -2.032
 1379    HD2  PHE  73           HD2      PHE  73 -13.543 -15.772  -2.299
 1380    HE1  PHE  73           HE1      PHE  73 -12.577 -11.040  -3.186
 1381    HE2  PHE  73           HE2      PHE  73 -15.204 -14.379  -3.449
 1382    HZ   PHE  73           HZ       PHE  73 -14.722 -12.012  -3.900
 1383    H    SER  74           HN       SER  74  -9.810 -14.021  -2.980
 1384    HA   SER  74           HA       SER  74  -6.897 -13.683  -2.811
 1385   1HB   SER  74          HB2       SER  74  -7.059 -14.493  -5.330
 1386   2HB   SER  74          HB1       SER  74  -6.926 -15.641  -4.001
 1387    HG   SER  74           HG       SER  74  -8.616 -16.291  -5.289
 1388    H    GLU  75           HN       GLU  75  -9.625 -12.068  -3.395
 1389    HA   GLU  75           HA       GLU  75  -9.033 -10.573  -5.704
 1390   1HB   GLU  75          HB2       GLU  75 -10.802 -10.412  -3.359
 1391   2HB   GLU  75          HB1       GLU  75 -10.474  -8.874  -4.138
 1392   1HG   GLU  75          HG2       GLU  75 -11.620 -11.314  -5.440
 1393   2HG   GLU  75          HG1       GLU  75 -12.541  -9.958  -4.800
 1394    H    TYR  76           HN       TYR  76  -7.446 -10.739  -2.708
 1395    HA   TYR  76           HA       TYR  76  -6.864  -8.401  -1.764
 1396   1HB   TYR  76          HB2       TYR  76  -5.316 -10.816  -1.985
 1397   2HB   TYR  76          HB1       TYR  76  -4.317  -9.384  -1.769
 1398    HD1  TYR  76           HD1      TYR  76  -6.664  -8.032  -0.037
 1399    HD2  TYR  76           HD2      TYR  76  -4.529 -11.703   0.137
 1400    HE1  TYR  76           HE1      TYR  76  -7.188  -8.187   2.312
 1401    HE2  TYR  76           HE2      TYR  76  -5.044 -11.878   2.527
 1402    HH   TYR  76           HH       TYR  76  -7.344  -9.883   4.073
 1403    H    TRP  77           HN       TRP  77  -5.727  -9.396  -4.863
 1404    HA   TRP  77           HA       TRP  77  -3.765  -7.469  -5.372
 1405   1HB   TRP  77          HB2       TRP  77  -4.357  -7.736  -7.738
 1406   2HB   TRP  77          HB1       TRP  77  -4.366  -9.306  -6.934
 1407    HD1  TRP  77           HD1      TRP  77  -7.023  -6.544  -7.657
 1408    HE1  TRP  77           HE1      TRP  77  -9.176  -7.729  -8.362
 1409    HE3  TRP  77           HE3      TRP  77  -5.496 -11.396  -7.176
 1410    HZ2  TRP  77           HZ2      TRP  77 -10.138 -10.379  -8.664
 1411    HZ3  TRP  77           HZ3      TRP  77  -7.093 -13.196  -7.662
 1412    HH2  TRP  77           HH2      TRP  77  -9.369 -12.699  -8.392
 1413    H    ARG  78           HN       ARG  78  -7.143  -7.089  -4.849
 1414    HA   ARG  78           HA       ARG  78  -7.525  -4.688  -6.165
 1415   1HB   ARG  78          HB2       ARG  78  -8.938  -6.167  -3.981
 1416   2HB   ARG  78          HB1       ARG  78  -9.398  -4.503  -4.328
 1417   1HG   ARG  78          HG2       ARG  78  -9.429  -6.802  -6.261
 1418   2HG   ARG  78          HG1       ARG  78 -10.832  -6.047  -5.502
 1419   1HD   ARG  78          HD2       ARG  78  -8.973  -4.910  -7.567
 1420   2HD   ARG  78          HD1       ARG  78 -10.721  -5.119  -7.650
 1421    HE   ARG  78           HE       ARG  78 -10.436  -3.390  -5.608
 1422   1HH1  ARG  78          HH11      ARG  78  -9.179  -3.447  -8.855
 1423   2HH1  ARG  78          HH12      ARG  78  -9.136  -1.723  -9.008
 1424   1HH2  ARG  78          HH21      ARG  78 -10.388  -1.116  -5.800
 1425   2HH2  ARG  78          HH22      ARG  78  -9.823  -0.397  -7.271
 1426    H    LEU  79           HN       LEU  79  -6.568  -5.526  -2.846
 1427    HA   LEU  79           HA       LEU  79  -6.421  -2.977  -1.737
 1428   1HB   LEU  79          HB2       LEU  79  -4.243  -4.946  -1.221
 1429   2HB   LEU  79          HB1       LEU  79  -5.009  -3.848  -0.103
 1430    HG   LEU  79           HG       LEU  79  -6.069  -6.477  -1.124
 1431   1HD1  LEU  79          HD11      LEU  79  -4.816  -5.430   1.348
 1432   2HD1  LEU  79          HD12      LEU  79  -4.758  -7.039   0.643
 1433   3HD1  LEU  79          HD13      LEU  79  -6.174  -6.531   1.565
 1434   1HD2  LEU  79          HD21      LEU  79  -7.765  -5.532   0.839
 1435   2HD2  LEU  79          HD22      LEU  79  -8.108  -5.634  -0.884
 1436   3HD2  LEU  79          HD23      LEU  79  -7.496  -4.133  -0.194
 1437    H    ILE  80           HN       ILE  80  -4.356  -4.636  -3.955
 1438    HA   ILE  80           HA       ILE  80  -1.977  -3.387  -3.806
 1439    HB   ILE  80           HB       ILE  80  -3.098  -5.120  -5.540
 1440   1HG1  ILE  80          HG12      ILE  80  -0.615  -3.458  -6.080
 1441   2HG1  ILE  80          HG11      ILE  80  -0.707  -4.852  -5.007
 1442   1HG2  ILE  80          HG21      ILE  80  -4.269  -3.439  -6.861
 1443   2HG2  ILE  80          HG22      ILE  80  -3.001  -4.196  -7.819
 1444   3HG2  ILE  80          HG23      ILE  80  -2.760  -2.581  -7.156
 1445   1HD1  ILE  80          HD11      ILE  80  -1.253  -6.278  -6.905
 1446   2HD1  ILE  80          HD12      ILE  80   0.281  -5.440  -7.143
 1447   3HD1  ILE  80          HD13      ILE  80  -1.169  -4.883  -7.980
 1448    H    GLY  81           HN       GLY  81  -4.790  -2.101  -5.604
 1449   1HA   GLY  81          HA2       GLY  81  -3.467   0.437  -6.041
 1450   2HA   GLY  81          HA1       GLY  81  -5.093   0.006  -6.544
 1451    H    GLU  82           HN       GLU  82  -5.198  -0.898  -3.473
 1452    HA   GLU  82           HA       GLU  82  -6.594   1.458  -2.613
 1453   1HB   GLU  82          HB2       GLU  82  -5.966  -1.057  -1.153
 1454   2HB   GLU  82          HB1       GLU  82  -7.120   0.154  -0.633
 1455   1HG   GLU  82          HG2       GLU  82  -7.334  -1.738  -2.939
 1456   2HG   GLU  82          HG1       GLU  82  -8.405  -1.575  -1.554
 1457    H    LEU  83           HN       LEU  83  -3.977  -0.489  -1.193
 1458    HA   LEU  83           HA       LEU  83  -3.315   1.275   0.846
 1459   1HB   LEU  83          HB2       LEU  83  -1.608  -0.681  -0.687
 1460   2HB   LEU  83          HB1       LEU  83  -0.990   0.249   0.666
 1461    HG   LEU  83           HG       LEU  83  -2.770  -0.792   2.098
 1462   1HD1  LEU  83          HD11      LEU  83  -4.371  -1.446   0.456
 1463   2HD1  LEU  83          HD12      LEU  83  -3.753  -2.909   1.225
 1464   3HD1  LEU  83          HD13      LEU  83  -3.185  -2.448  -0.380
 1465   1HD2  LEU  83          HD21      LEU  83  -1.608  -2.936   2.310
 1466   2HD2  LEU  83          HD22      LEU  83  -0.472  -1.600   2.123
 1467   3HD2  LEU  83          HD23      LEU  83  -0.818  -2.662   0.757
 1468    H    ALA  84           HN       ALA  84  -2.725   1.366  -2.544
 1469    HA   ALA  84           HA       ALA  84  -0.696   3.376  -2.373
 1470   1HB   ALA  84          HB1       ALA  84  -0.963   3.577  -4.791
 1471   2HB   ALA  84          HB2       ALA  84  -2.402   2.561  -4.712
 1472   3HB   ALA  84          HB3       ALA  84  -0.824   1.889  -4.302
 1473    H    LYS  85           HN       LYS  85  -4.161   3.285  -2.596
 1474    HA   LYS  85           HA       LYS  85  -4.896   5.793  -3.401
 1475   1HB   LYS  85          HB2       LYS  85  -6.243   3.767  -2.294
 1476   2HB   LYS  85          HB1       LYS  85  -6.160   4.842  -0.904
 1477   1HG   LYS  85          HG2       LYS  85  -8.190   5.286  -2.038
 1478   2HG   LYS  85          HG1       LYS  85  -7.111   6.647  -2.339
 1479   1HD   LYS  85          HD2       LYS  85  -8.148   6.108  -4.415
 1480   2HD   LYS  85          HD1       LYS  85  -6.482   5.530  -4.504
 1481   1HE   LYS  85          HE2       LYS  85  -7.289   3.278  -3.852
 1482   2HE   LYS  85          HE1       LYS  85  -8.942   3.884  -3.936
 1483   1HZ   LYS  85          HZ1       LYS  85  -8.601   4.386  -6.275
 1484   2HZ   LYS  85          HZ2       LYS  85  -8.317   2.747  -5.971
 1485   3HZ   LYS  85          HZ3       LYS  85  -7.014   3.802  -6.196
 1486    H    GLU  86           HN       GLU  86  -3.239   4.911  -0.524
 1487    HA   GLU  86           HA       GLU  86  -3.548   7.485   0.697
 1488   1HB   GLU  86          HB2       GLU  86  -1.510   5.389   1.396
 1489   2HB   GLU  86          HB1       GLU  86  -2.213   6.612   2.444
 1490   1HG   GLU  86          HG2       GLU  86  -3.531   4.177   1.319
 1491   2HG   GLU  86          HG1       GLU  86  -3.204   4.552   3.006
 1492    H    VAL  87           HN       VAL  87  -0.910   5.687  -0.805
 1493    HA   VAL  87           HA       VAL  87   0.971   7.786  -0.645
 1494    HB   VAL  87           HB       VAL  87   0.941   5.269  -2.303
 1495   1HG1  VAL  87          HG11      VAL  87   3.281   5.631  -2.730
 1496   2HG1  VAL  87          HG12      VAL  87   3.263   7.122  -1.789
 1497   3HG1  VAL  87          HG13      VAL  87   2.372   7.025  -3.308
 1498   1HG2  VAL  87          HG21      VAL  87   2.471   4.424  -0.628
 1499   2HG2  VAL  87          HG22      VAL  87   0.984   4.973   0.143
 1500   3HG2  VAL  87          HG23      VAL  87   2.437   5.969   0.221
 1501    H    ARG  88           HN       ARG  88  -1.550   7.126  -2.875
 1502    HA   ARG  88           HA       ARG  88  -0.533   8.167  -5.235
 1503   1HB   ARG  88          HB2       ARG  88  -2.807   7.012  -4.679
 1504   2HB   ARG  88          HB1       ARG  88  -3.382   8.661  -4.465
 1505   1HG   ARG  88          HG2       ARG  88  -2.121   7.549  -6.964
 1506   2HG   ARG  88          HG1       ARG  88  -3.843   7.832  -6.708
 1507   1HD   ARG  88          HD2       ARG  88  -1.673   9.927  -6.719
 1508   2HD   ARG  88          HD1       ARG  88  -2.846   9.637  -8.002
 1509    HE   ARG  88           HE       ARG  88  -4.231  10.130  -5.617
 1510   1HH1  ARG  88          HH11      ARG  88  -2.207  11.786  -7.917
 1511   2HH1  ARG  88          HH12      ARG  88  -2.926  13.336  -7.629
 1512   1HH2  ARG  88          HH21      ARG  88  -5.187  12.165  -5.234
 1513   2HH2  ARG  88          HH22      ARG  88  -4.621  13.551  -6.105
 1514    H    LYS  89           HN       LYS  89  -2.818  10.044  -3.230
 1515    HA   LYS  89           HA       LYS  89  -2.002  12.485  -4.457
 1516   1HB   LYS  89          HB2       LYS  89  -3.557  13.589  -3.079
 1517   2HB   LYS  89          HB1       LYS  89  -4.279  12.037  -3.455
 1518   1HG   LYS  89          HG2       LYS  89  -2.832  11.722  -1.006
 1519   2HG   LYS  89          HG1       LYS  89  -3.798  13.210  -0.917
 1520   1HD   LYS  89          HD2       LYS  89  -5.172  11.465  -0.154
 1521   2HD   LYS  89          HD1       LYS  89  -5.737  11.851  -1.780
 1522   1HE   LYS  89          HE2       LYS  89  -3.653   9.808  -1.585
 1523   2HE   LYS  89          HE1       LYS  89  -5.197   9.384  -0.876
 1524   1HZ   LYS  89          HZ1       LYS  89  -4.690  10.188  -3.685
 1525   2HZ   LYS  89          HZ2       LYS  89  -6.238  10.028  -3.028
 1526   3HZ   LYS  89          HZ3       LYS  89  -5.219   8.682  -3.129
 1527    H    GLU  90           HN       GLU  90  -1.157  10.804  -1.545
 1528    HA   GLU  90           HA       GLU  90   0.178  12.937  -0.281
 1529   1HB   GLU  90          HB2       GLU  90   0.258   9.959  -0.009
 1530   2HB   GLU  90          HB1       GLU  90   1.335  10.980   0.940
 1531   1HG   GLU  90          HG2       GLU  90  -1.675  11.133   0.901
 1532   2HG   GLU  90          HG1       GLU  90  -0.690  10.377   2.166
 1533    H    LYS  91           HN       LYS  91   0.942  11.185  -3.073
 1534    HA   LYS  91           HA       LYS  91   3.707  10.998  -2.936
 1535   1HB   LYS  91          HB2       LYS  91   3.694  10.664  -5.259
 1536   2HB   LYS  91          HB1       LYS  91   2.134  10.064  -4.722
 1537   1HG   LYS  91          HG2       LYS  91   1.113  12.208  -5.415
 1538   2HG   LYS  91          HG1       LYS  91   2.684  12.719  -6.031
 1539   1HD   LYS  91          HD2       LYS  91   2.695  10.775  -7.548
 1540   2HD   LYS  91          HD1       LYS  91   1.088  10.335  -6.965
 1541   1HE   LYS  91          HE2       LYS  91   0.973  11.546  -9.087
 1542   2HE   LYS  91          HE1       LYS  91   0.194  12.445  -7.785
 1543   1HZ   LYS  91          HZ1       LYS  91   1.575  13.867  -9.183
 1544   2HZ   LYS  91          HZ2       LYS  91   2.940  12.942  -8.804
 1545   3HZ   LYS  91          HZ3       LYS  91   2.155  13.824  -7.594
 1546    H    ALA  92           HN       ALA  92   1.674  13.603  -4.174
 1547    HA   ALA  92           HA       ALA  92   3.943  15.343  -4.578
 1548   1HB   ALA  92          HB1       ALA  92   2.246  17.014  -5.233
 1549   2HB   ALA  92          HB2       ALA  92   0.982  15.866  -4.788
 1550   3HB   ALA  92          HB3       ALA  92   2.087  15.493  -6.111
 1551    H    LEU  93           HN       LEU  93   1.817  14.651  -1.973
 1552    HA   LEU  93           HA       LEU  93   2.260  17.189  -0.664
 1553   1HB   LEU  93          HB2       LEU  93   0.157  16.052  -0.291
 1554   2HB   LEU  93          HB1       LEU  93   1.000  14.642   0.329
 1555    HG   LEU  93           HG       LEU  93   1.544  17.202   1.703
 1556   1HD1  LEU  93          HD11      LEU  93  -0.492  17.091   3.021
 1557   2HD1  LEU  93          HD12      LEU  93  -1.068  15.731   2.058
 1558   3HD1  LEU  93          HD13      LEU  93  -0.882  17.320   1.316
 1559   1HD2  LEU  93          HD21      LEU  93   1.423  15.700   3.674
 1560   2HD2  LEU  93          HD22      LEU  93   2.606  15.185   2.471
 1561   3HD2  LEU  93          HD23      LEU  93   1.051  14.361   2.587
 1562    H    GLY  94           HN       GLY  94   3.635  13.995  -0.645
 1563   1HA   GLY  94          HA2       GLY  94   4.931  13.806   1.746
 1564   2HA   GLY  94          HA1       GLY  94   5.619  13.235   0.233
 1565    H    ILE  95           HN       ILE  95   5.740  15.971  -0.864
 1566    HA   ILE  95           HA       ILE  95   8.359  16.575  -0.037
 1567    HB   ILE  95           HB       ILE  95   7.932  18.769  -1.317
 1568   1HG1  ILE  95          HG12      ILE  95   6.061  18.826  -2.788
 1569   2HG1  ILE  95          HG11      ILE  95   5.608  17.180  -2.367
 1570   1HG2  ILE  95          HG21      ILE  95   9.272  17.177  -2.298
 1571   2HG2  ILE  95          HG22      ILE  95   7.978  17.398  -3.482
 1572   3HG2  ILE  95          HG23      ILE  95   7.954  16.020  -2.388
 1573   1HD1  ILE  95          HD11      ILE  95   4.073  18.701  -1.340
 1574   2HD1  ILE  95          HD12      ILE  95   5.396  19.619  -0.626
 1575   3HD1  ILE  95          HD13      ILE  95   5.071  17.975  -0.081
 1576    H    ARG  96           HN       ARG  96   7.551  16.618   2.343
 1577    HA   ARG  96           HA       ARG  96   6.321  18.857   3.428
 1578   1HB   ARG  96          HB2       ARG  96   8.526  17.109   4.529
 1579   2HB   ARG  96          HB1       ARG  96   7.723  18.354   5.479
 1580   1HG   ARG  96          HG2       ARG  96   6.375  15.981   4.204
 1581   2HG   ARG  96          HG1       ARG  96   6.800  16.134   5.910
 1582   1HD   ARG  96          HD2       ARG  96   4.866  17.872   4.379
 1583   2HD   ARG  96          HD1       ARG  96   4.448  16.642   5.570
 1584    HE   ARG  96           HE       ARG  96   6.184  18.531   6.733
 1585   1HH1  ARG  96          HH11      ARG  96   2.911  18.215   5.586
 1586   2HH1  ARG  96          HH12      ARG  96   2.277  19.403   6.675
 1587   1HH2  ARG  96          HH21      ARG  96   5.359  20.098   8.172
 1588   2HH2  ARG  96          HH22      ARG  96   3.668  20.473   8.145
 1589    H    LYS  97           HN       LYS  97   9.423  18.495   1.970
 1590    HA   LYS  97           HA       LYS  97  10.440  20.997   3.025
 1591   1HB   LYS  97          HB2       LYS  97  12.019  20.051   0.823
 1592   2HB   LYS  97          HB1       LYS  97  12.465  20.185   2.514
 1593   1HG   LYS  97          HG2       LYS  97  11.027  17.811   1.342
 1594   2HG   LYS  97          HG1       LYS  97  12.776  17.928   1.511
 1595   1HD   LYS  97          HD2       LYS  97  12.664  17.951   3.855
 1596   2HD   LYS  97          HD1       LYS  97  10.935  18.312   3.854
 1597   1HE   LYS  97          HE2       LYS  97  10.422  16.121   3.024
 1598   2HE   LYS  97          HE1       LYS  97  12.135  15.753   2.810
 1599   1HZ   LYS  97          HZ1       LYS  97  12.428  15.912   5.209
 1600   2HZ   LYS  97          HZ2       LYS  97  11.274  14.738   4.819
 1601   3HZ   LYS  97          HZ3       LYS  97  10.781  16.245   5.409
 1602    H    LYS  98           HN       LYS  98   8.778  22.356   2.187
 1603    HA   LYS  98           HA       LYS  98   8.923  22.766  -0.723
 1604   1HB   LYS  98          HB2       LYS  98   6.718  23.127   1.260
 1605   2HB   LYS  98          HB1       LYS  98   6.750  24.156  -0.164
 1606   1HG   LYS  98          HG2       LYS  98   7.034  21.865  -1.419
 1607   2HG   LYS  98          HG1       LYS  98   6.286  21.220   0.047
 1608   1HD   LYS  98          HD2       LYS  98   4.416  22.792  -0.239
 1609   2HD   LYS  98          HD1       LYS  98   5.163  23.404  -1.715
 1610   1HE   LYS  98          HE2       LYS  98   5.103  20.923  -2.472
 1611   2HE   LYS  98          HE1       LYS  98   3.904  20.742  -1.191
 1612   1HZ   LYS  98          HZ1       LYS  98   3.726  22.639  -3.467
 1613   2HZ   LYS  98          HZ2       LYS  98   2.583  22.481  -2.232
 1614   3HZ   LYS  98          HZ3       LYS  98   2.849  21.201  -3.305
  Start of MODEL    7
    1   1H    MET   1          HT1       MET   1 -18.219   3.950  -1.903
    2   2H    MET   1          HT2       MET   1 -18.609   3.893  -3.546
    3   3H    MET   1          HT3       MET   1 -19.625   4.704  -2.468
    4    HA   MET   1           HA       MET   1 -18.430   6.348  -3.605
    5   1HB   MET   1          HB2       MET   1 -17.394   5.805  -0.834
    6   2HB   MET   1          HB1       MET   1 -16.843   7.187  -1.748
    7   1HG   MET   1          HG2       MET   1 -19.607   6.644  -0.738
    8   2HG   MET   1          HG1       MET   1 -18.543   7.965  -0.314
    9   1HE   MET   1          HE1       MET   1 -22.059   8.433  -2.313
   10   2HE   MET   1          HE2       MET   1 -21.316   9.622  -1.244
   11   3HE   MET   1          HE3       MET   1 -21.390   7.927  -0.760
   12    H    ALA   2           HN       ALA   2 -16.079   7.371  -3.595
   13    HA   ALA   2           HA       ALA   2 -14.274   5.283  -4.589
   14   1HB   ALA   2          HB1       ALA   2 -14.799   6.618  -6.440
   15   2HB   ALA   2          HB2       ALA   2 -13.209   7.164  -5.920
   16   3HB   ALA   2          HB3       ALA   2 -14.643   8.109  -5.516
   17    H    ALA   3           HN       ALA   3 -11.992   5.713  -4.450
   18    HA   ALA   3           HA       ALA   3 -11.330   6.842  -1.859
   19   1HB   ALA   3          HB1       ALA   3  -9.629   5.344  -3.844
   20   2HB   ALA   3          HB2       ALA   3 -10.437   4.651  -2.438
   21   3HB   ALA   3          HB3       ALA   3  -9.136   5.822  -2.220
   22    H    GLU   4           HN       GLU   4 -11.758   9.006  -2.504
   23    HA   GLU   4           HA       GLU   4 -10.318  10.302  -4.568
   24   1HB   GLU   4          HB2       GLU   4 -10.858  12.309  -2.727
   25   2HB   GLU   4          HB1       GLU   4 -11.819  11.864  -4.118
   26   1HG   GLU   4          HG2       GLU   4 -13.210  12.035  -2.155
   27   2HG   GLU   4          HG1       GLU   4 -13.156  10.367  -2.717
   28    H    THR   5           HN       THR   5  -9.926  11.462  -1.266
   29    HA   THR   5           HA       THR   5  -7.167  11.831  -1.703
   30    HB   THR   5           HB       THR   5  -8.325  11.924   1.014
   31    HG1  THR   5           HG1      THR   5  -9.806  13.272   0.345
   32   1HG2  THR   5          HG21      THR   5  -6.719  13.620   1.323
   33   2HG2  THR   5          HG22      THR   5  -6.530  13.868  -0.407
   34   3HG2  THR   5          HG23      THR   5  -5.905  12.400   0.349
   35    H    LEU   6           HN       LEU   6  -6.696  10.980   1.289
   36    HA   LEU   6           HA       LEU   6  -5.615   8.407   0.612
   37   1HB   LEU   6          HB2       LEU   6  -5.313   9.310   3.378
   38   2HB   LEU   6          HB1       LEU   6  -4.102   8.786   2.232
   39    HG   LEU   6           HG       LEU   6  -4.472  11.163   1.200
   40   1HD1  LEU   6          HD11      LEU   6  -6.322  11.431   3.119
   41   2HD1  LEU   6          HD12      LEU   6  -5.377  12.790   2.513
   42   3HD1  LEU   6          HD13      LEU   6  -4.908  11.990   4.012
   43   1HD2  LEU   6          HD21      LEU   6  -2.506  11.775   2.197
   44   2HD2  LEU   6          HD22      LEU   6  -2.505  10.045   2.544
   45   3HD2  LEU   6          HD23      LEU   6  -3.005  11.193   3.785
   46    H    THR   7           HN       THR   7  -6.897   6.692   0.857
   47    HA   THR   7           HA       THR   7  -9.196   6.671   2.464
   48    HB   THR   7           HB       THR   7  -8.640   4.037   2.419
   49    HG1  THR   7           HG1      THR   7  -6.536   4.582   1.438
   50   1HG2  THR   7          HG21      THR   7  -9.827   3.842   0.311
   51   2HG2  THR   7          HG22      THR   7  -9.551   5.551  -0.022
   52   3HG2  THR   7          HG23      THR   7 -10.576   5.066   1.329
   53    H    GLU   8           HN       GLU   8  -9.470   5.186   4.415
   54    HA   GLU   8           HA       GLU   8  -8.004   5.914   6.568
   55   1HB   GLU   8          HB2       GLU   8  -8.968   3.081   6.237
   56   2HB   GLU   8          HB1       GLU   8  -8.742   3.978   7.732
   57   1HG   GLU   8          HG2       GLU   8 -10.515   5.552   6.955
   58   2HG   GLU   8          HG1       GLU   8 -10.820   4.439   5.622
   59    H    LEU   9           HN       LEU   9  -7.053   3.668   4.125
   60    HA   LEU   9           HA       LEU   9  -5.014   2.227   5.215
   61   1HB   LEU   9          HB2       LEU   9  -4.868   3.574   2.540
   62   2HB   LEU   9          HB1       LEU   9  -4.202   2.016   2.979
   63    HG   LEU   9           HG       LEU   9  -6.999   2.779   2.283
   64   1HD1  LEU   9          HD11      LEU   9  -6.862   0.583   1.092
   65   2HD1  LEU   9          HD12      LEU   9  -5.153   0.540   1.525
   66   3HD1  LEU   9          HD13      LEU   9  -5.776   1.843   0.518
   67   1HD2  LEU   9          HD21      LEU   9  -7.823   1.703   4.042
   68   2HD2  LEU   9          HD22      LEU   9  -6.281   0.955   4.440
   69   3HD2  LEU   9          HD23      LEU   9  -7.320   0.235   3.214
   70    H    GLU  10           HN       GLU  10  -5.135   5.637   4.526
   71    HA   GLU  10           HA       GLU  10  -2.454   6.305   4.353
   72   1HB   GLU  10          HB2       GLU  10  -3.243   8.445   5.624
   73   2HB   GLU  10          HB1       GLU  10  -3.850   8.103   4.014
   74   1HG   GLU  10          HG2       GLU  10  -5.922   8.066   4.722
   75   2HG   GLU  10          HG1       GLU  10  -5.532   6.878   5.965
   76    H    ALA  11           HN       ALA  11  -4.480   5.625   7.148
   77    HA   ALA  11           HA       ALA  11  -2.682   6.256   9.196
   78   1HB   ALA  11          HB1       ALA  11  -5.180   5.533   9.304
   79   2HB   ALA  11          HB2       ALA  11  -4.104   5.104  10.629
   80   3HB   ALA  11          HB3       ALA  11  -4.523   3.901   9.411
   81    H    ALA  12           HN       ALA  12  -3.033   3.446   7.149
   82    HA   ALA  12           HA       ALA  12  -1.147   1.807   8.498
   83   1HB   ALA  12          HB1       ALA  12  -1.978   1.677   5.600
   84   2HB   ALA  12          HB2       ALA  12  -2.869   0.942   6.932
   85   3HB   ALA  12          HB3       ALA  12  -1.238   0.389   6.550
   86    H    ILE  13           HN       ILE  13  -0.930   4.427   6.238
   87    HA   ILE  13           HA       ILE  13   1.495   4.003   5.027
   88    HB   ILE  13           HB       ILE  13  -0.215   6.044   4.931
   89   1HG1  ILE  13          HG12      ILE  13   1.667   5.408   3.365
   90   2HG1  ILE  13          HG11      ILE  13   1.289   7.126   3.439
   91   1HG2  ILE  13          HG21      ILE  13   2.061   7.357   6.378
   92   2HG2  ILE  13          HG22      ILE  13   0.574   6.874   7.192
   93   3HG2  ILE  13          HG23      ILE  13   0.520   8.060   5.886
   94   1HD1  ILE  13          HD11      ILE  13   3.596   5.709   4.750
   95   2HD1  ILE  13          HD12      ILE  13   3.185   7.402   5.023
   96   3HD1  ILE  13          HD13      ILE  13   3.659   6.857   3.413
   97    H    GLU  14           HN       GLU  14   0.763   4.907   8.294
   98    HA   GLU  14           HA       GLU  14   3.319   5.769   9.119
   99   1HB   GLU  14          HB2       GLU  14   1.028   4.605  10.706
  100   2HB   GLU  14          HB1       GLU  14   2.454   5.347  11.418
  101   1HG   GLU  14          HG2       GLU  14   1.890   7.456  10.274
  102   2HG   GLU  14          HG1       GLU  14   0.424   6.698   9.655
  103    H    THR  15           HN       THR  15   1.748   2.570   9.148
  104    HA   THR  15           HA       THR  15   3.857   1.289  10.582
  105    HB   THR  15           HB       THR  15   1.898   0.039   8.640
  106    HG1  THR  15           HG1      THR  15   0.847  -0.533  10.705
  107   1HG2  THR  15          HG21      THR  15   3.687  -1.147  10.760
  108   2HG2  THR  15          HG22      THR  15   3.729  -1.457   9.024
  109   3HG2  THR  15          HG23      THR  15   2.364  -2.021   9.989
  110    H    VAL  16           HN       VAL  16   2.968   1.207   7.164
  111    HA   VAL  16           HA       VAL  16   5.184  -0.135   6.167
  112    HB   VAL  16           HB       VAL  16   3.164   0.207   4.876
  113   1HG1  VAL  16          HG11      VAL  16   3.984   3.112   4.853
  114   2HG1  VAL  16          HG12      VAL  16   2.581   2.419   5.666
  115   3HG1  VAL  16          HG13      VAL  16   2.670   2.417   3.907
  116   1HG2  VAL  16          HG21      VAL  16   4.351   1.354   2.794
  117   2HG2  VAL  16          HG22      VAL  16   4.784  -0.251   3.351
  118   3HG2  VAL  16          HG23      VAL  16   5.783   1.121   3.796
  119    H    VAL  17           HN       VAL  17   4.741   3.308   6.839
  120    HA   VAL  17           HA       VAL  17   7.225   4.019   5.584
  121    HB   VAL  17           HB       VAL  17   5.267   5.582   5.747
  122   1HG1  VAL  17          HG11      VAL  17   6.204   6.122   8.551
  123   2HG1  VAL  17          HG12      VAL  17   4.862   5.040   8.197
  124   3HG1  VAL  17          HG13      VAL  17   4.765   6.737   7.738
  125   1HG2  VAL  17          HG21      VAL  17   6.652   7.573   6.124
  126   2HG2  VAL  17          HG22      VAL  17   7.477   6.372   5.130
  127   3HG2  VAL  17          HG23      VAL  17   7.907   6.555   6.831
  128    H    SER  18           HN       SER  18   6.066   3.623   8.901
  129    HA   SER  18           HA       SER  18   8.619   4.312  10.029
  130   1HB   SER  18          HB2       SER  18   6.580   4.820  11.274
  131   2HB   SER  18          HB1       SER  18   6.152   3.110  11.311
  132    HG   SER  18           HG       SER  18   7.165   3.291  13.180
  133    H    THR  19           HN       THR  19   7.481   1.566   8.527
  134    HA   THR  19           HA       THR  19   8.939  -0.292  10.184
  135    HB   THR  19           HB       THR  19   8.279  -1.942   8.303
  136    HG1  THR  19           HG1      THR  19   7.387   0.293   7.182
  137   1HG2  THR  19          HG21      THR  19   5.894  -1.999   9.223
  138   2HG2  THR  19          HG22      THR  19   6.369  -0.612  10.204
  139   3HG2  THR  19          HG23      THR  19   7.213  -2.148  10.383
  140    H    PHE  20           HN       PHE  20   9.045  -0.439   6.713
  141    HA   PHE  20           HA       PHE  20  11.853  -1.061   6.700
  142   1HB   PHE  20          HB2       PHE  20  10.757  -2.508   5.292
  143   2HB   PHE  20          HB1       PHE  20   9.503  -1.340   4.916
  144    HD1  PHE  20           HD1      PHE  20   9.325  -0.967   2.682
  145    HD2  PHE  20           HD2      PHE  20  13.201  -1.481   4.365
  146    HE1  PHE  20           HE1      PHE  20  10.333  -0.591   0.474
  147    HE2  PHE  20           HE2      PHE  20  14.208  -1.116   2.164
  148    HZ   PHE  20           HZ       PHE  20  12.773  -0.659   0.218
  149    H    PHE  21           HN       PHE  21   9.694   1.370   5.487
  150    HA   PHE  21           HA       PHE  21  11.474   2.773   3.887
  151   1HB   PHE  21          HB2       PHE  21   9.039   3.651   5.435
  152   2HB   PHE  21          HB1       PHE  21   9.834   4.650   4.224
  153    HD1  PHE  21           HD1      PHE  21  10.255   1.527   2.934
  154    HD2  PHE  21           HD2      PHE  21   7.114   4.313   3.673
  155    HE1  PHE  21           HE1      PHE  21   8.868   0.444   1.211
  156    HE2  PHE  21           HE2      PHE  21   5.729   3.213   1.984
  157    HZ   PHE  21           HZ       PHE  21   6.609   1.288   0.735
  158    H    THR  22           HN       THR  22  11.292   2.475   7.285
  159    HA   THR  22           HA       THR  22  12.323   4.929   8.134
  160    HB   THR  22           HB       THR  22  13.209   3.753  10.060
  161    HG1  THR  22           HG1      THR  22  14.013   1.982   8.731
  162   1HG2  THR  22          HG21      THR  22  10.781   4.097   9.903
  163   2HG2  THR  22          HG22      THR  22  11.201   2.644  10.809
  164   3HG2  THR  22          HG23      THR  22  10.634   2.512   9.141
  165    H    PHE  23           HN       PHE  23  13.807   2.397   6.320
  166    HA   PHE  23           HA       PHE  23  16.480   2.884   7.079
  167   1HB   PHE  23          HB2       PHE  23  16.949   1.107   5.799
  168   2HB   PHE  23          HB1       PHE  23  15.214   0.944   5.673
  169    HD1  PHE  23           HD1      PHE  23  14.420   0.466   3.631
  170    HD2  PHE  23           HD2      PHE  23  17.952   2.805   3.919
  171    HE1  PHE  23           HE1      PHE  23  14.620   0.480   1.190
  172    HE2  PHE  23           HE2      PHE  23  18.152   2.830   1.489
  173    HZ   PHE  23           HZ       PHE  23  16.500   1.640   0.129
  174    H    ALA  24           HN       ALA  24  14.383   4.800   5.286
  175    HA   ALA  24           HA       ALA  24  15.797   6.063   3.318
  176   1HB   ALA  24          HB1       ALA  24  13.531   6.640   4.776
  177   2HB   ALA  24          HB2       ALA  24  14.200   7.643   3.489
  178   3HB   ALA  24          HB3       ALA  24  14.597   7.985   5.172
  179    H    GLY  25           HN       GLY  25  16.042   6.469   6.752
  180   1HA   GLY  25          HA2       GLY  25  17.608   8.558   7.253
  181   2HA   GLY  25          HA1       GLY  25  17.826   7.011   8.075
  182    H    ARG  26           HN       ARG  26  18.774   5.693   5.557
  183    HA   ARG  26           HA       ARG  26  21.521   6.128   5.917
  184   1HB   ARG  26          HB2       ARG  26  19.883   4.620   3.940
  185   2HB   ARG  26          HB1       ARG  26  21.570   4.946   3.540
  186   1HG   ARG  26          HG2       ARG  26  21.954   4.072   6.005
  187   2HG   ARG  26          HG1       ARG  26  20.436   3.250   5.677
  188   1HD   ARG  26          HD2       ARG  26  22.328   1.828   5.121
  189   2HD   ARG  26          HD1       ARG  26  21.412   2.243   3.675
  190    HE   ARG  26           HE       ARG  26  23.316   4.128   3.680
  191   1HH1  ARG  26          HH11      ARG  26  23.484   0.669   4.075
  192   2HH1  ARG  26          HH12      ARG  26  25.074   0.543   3.401
  193   1HH2  ARG  26          HH21      ARG  26  25.404   3.969   2.791
  194   2HH2  ARG  26          HH22      ARG  26  26.167   2.419   2.672
  195    H    GLU  27           HN       GLU  27  19.234   7.722   3.869
  196    HA   GLU  27           HA       GLU  27  21.313   8.932   2.246
  197   1HB   GLU  27          HB2       GLU  27  18.329   9.431   2.305
  198   2HB   GLU  27          HB1       GLU  27  19.450  10.101   1.129
  199   1HG   GLU  27          HG2       GLU  27  18.792   7.191   1.517
  200   2HG   GLU  27          HG1       GLU  27  18.268   8.221   0.186
  201    H    GLY  28           HN       GLY  28  22.335  10.727   2.772
  202   1HA   GLY  28          HA2       GLY  28  22.401  12.036   5.100
  203   2HA   GLY  28          HA1       GLY  28  22.693  12.869   3.586
  204    H    ARG  29           HN       ARG  29  21.143  14.223   2.746
  205    HA   ARG  29           HA       ARG  29  19.637  15.737   4.422
  206   1HB   ARG  29          HB2       ARG  29  20.161  16.250   2.034
  207   2HB   ARG  29          HB1       ARG  29  18.903  15.122   1.553
  208   1HG   ARG  29          HG2       ARG  29  18.186  17.472   1.465
  209   2HG   ARG  29          HG1       ARG  29  17.209  16.499   2.563
  210   1HD   ARG  29          HD2       ARG  29  17.707  18.632   3.589
  211   2HD   ARG  29          HD1       ARG  29  18.552  17.351   4.456
  212    HE   ARG  29           HE       ARG  29  20.111  18.631   2.395
  213   1HH1  ARG  29          HH11      ARG  29  19.167  18.672   5.748
  214   2HH1  ARG  29          HH12      ARG  29  20.567  19.552   6.265
  215   1HH2  ARG  29          HH21      ARG  29  21.958  19.786   3.065
  216   2HH2  ARG  29          HH22      ARG  29  22.152  20.185   4.740
  217    H    LYS  30           HN       LYS  30  17.182  16.002   4.403
  218    HA   LYS  30           HA       LYS  30  15.981  13.397   4.984
  219   1HB   LYS  30          HB2       LYS  30  15.886  15.845   6.293
  220   2HB   LYS  30          HB1       LYS  30  14.333  15.781   5.461
  221   1HG   LYS  30          HG2       LYS  30  14.125  14.878   7.692
  222   2HG   LYS  30          HG1       LYS  30  13.895  13.593   6.504
  223   1HD   LYS  30          HD2       LYS  30  16.214  12.872   6.843
  224   2HD   LYS  30          HD1       LYS  30  16.438  14.154   8.033
  225   1HE   LYS  30          HE2       LYS  30  16.020  12.030   9.135
  226   2HE   LYS  30          HE1       LYS  30  14.693  13.152   9.432
  227   1HZ   LYS  30          HZ1       LYS  30  13.913  10.913   8.901
  228   2HZ   LYS  30          HZ2       LYS  30  14.676  10.993   7.393
  229   3HZ   LYS  30          HZ3       LYS  30  13.395  12.038   7.748
  230    H    GLY  31           HN       GLY  31  16.332  13.554   2.412
  231   1HA   GLY  31          HA2       GLY  31  13.884  14.601   1.140
  232   2HA   GLY  31          HA1       GLY  31  15.335  14.049   0.304
  233    H    SER  32           HN       SER  32  15.771  11.698   0.373
  234    HA   SER  32           HA       SER  32  13.335  10.194   0.930
  235   1HB   SER  32          HB2       SER  32  13.692   8.990  -1.304
  236   2HB   SER  32          HB1       SER  32  12.960  10.591  -1.333
  237    HG   SER  32           HG       SER  32  15.402   9.736  -2.290
  238    H    LEU  33           HN       LEU  33  13.632   7.906   0.310
  239    HA   LEU  33           HA       LEU  33  16.028   6.879   1.602
  240   1HB   LEU  33          HB2       LEU  33  14.066   5.981   2.509
  241   2HB   LEU  33          HB1       LEU  33  13.319   5.847   0.947
  242    HG   LEU  33           HG       LEU  33  15.671   4.129   1.491
  243   1HD1  LEU  33          HD11      LEU  33  13.638   2.581   2.399
  244   2HD1  LEU  33          HD12      LEU  33  13.214   4.143   3.076
  245   3HD1  LEU  33          HD13      LEU  33  14.776   3.446   3.424
  246   1HD2  LEU  33          HD21      LEU  33  14.206   4.300  -0.647
  247   2HD2  LEU  33          HD22      LEU  33  13.043   3.351   0.276
  248   3HD2  LEU  33          HD23      LEU  33  14.647   2.708  -0.042
  249    H    ASN  34           HN       ASN  34  17.179   4.989   0.544
  250    HA   ASN  34           HA       ASN  34  16.719   5.191  -2.350
  251   1HB   ASN  34          HB2       ASN  34  18.743   6.374  -1.338
  252   2HB   ASN  34          HB1       ASN  34  19.436   4.768  -1.126
  253   1HD2  ASN  34          HD21      ASN  34  18.384   7.147  -3.446
  254   2HD2  ASN  34          HD22      ASN  34  19.199   6.470  -4.811
  255    H    ILE  35           HN       ILE  35  19.239   3.068  -1.951
  256    HA   ILE  35           HA       ILE  35  17.547   0.848  -1.347
  257    HB   ILE  35           HB       ILE  35  18.731  -0.332  -3.397
  258   1HG1  ILE  35          HG12      ILE  35  18.813   1.155  -5.337
  259   2HG1  ILE  35          HG11      ILE  35  18.370   2.526  -4.326
  260   1HG2  ILE  35          HG21      ILE  35  16.178   1.124  -3.083
  261   2HG2  ILE  35          HG22      ILE  35  16.479  -0.584  -3.407
  262   3HG2  ILE  35          HG23      ILE  35  16.600   0.597  -4.708
  263   1HD1  ILE  35          HD11      ILE  35  20.682   2.685  -4.660
  264   2HD1  ILE  35          HD12      ILE  35  20.931   0.973  -4.328
  265   3HD1  ILE  35          HD13      ILE  35  20.482   2.067  -3.022
  266    H    ASN  36           HN       ASN  36  19.684   2.083   0.024
  267    HA   ASN  36           HA       ASN  36  21.941   0.305  -0.164
  268   1HB   ASN  36          HB2       ASN  36  21.232   2.503   1.788
  269   2HB   ASN  36          HB1       ASN  36  22.726   1.573   1.864
  270   1HD2  ASN  36          HD21      ASN  36  24.292   1.867   0.270
  271   2HD2  ASN  36          HD22      ASN  36  24.293   3.251  -0.764
  272    H    GLU  37           HN       GLU  37  19.708   1.127   2.521
  273    HA   GLU  37           HA       GLU  37  20.253  -1.412   3.715
  274   1HB   GLU  37          HB2       GLU  37  17.841   0.175   4.389
  275   2HB   GLU  37          HB1       GLU  37  18.773  -0.890   5.406
  276   1HG   GLU  37          HG2       GLU  37  20.662   0.754   5.131
  277   2HG   GLU  37          HG1       GLU  37  19.457   1.877   4.482
  278    H    PHE  38           HN       PHE  38  18.065  -0.283   1.259
  279    HA   PHE  38           HA       PHE  38  16.019  -2.104   1.437
  280   1HB   PHE  38          HB2       PHE  38  16.375  -0.256  -0.276
  281   2HB   PHE  38          HB1       PHE  38  17.414  -1.366  -1.152
  282    HD1  PHE  38           HD1      PHE  38  14.407   0.086  -1.329
  283    HD2  PHE  38           HD2      PHE  38  16.036  -3.834  -1.262
  284    HE1  PHE  38           HE1      PHE  38  12.417  -0.756  -2.499
  285    HE2  PHE  38           HE2      PHE  38  14.049  -4.686  -2.418
  286    HZ   PHE  38           HZ       PHE  38  12.234  -3.148  -3.044
  287    H    LYS  39           HN       LYS  39  19.365  -2.487   0.605
  288    HA   LYS  39           HA       LYS  39  19.281  -5.029  -0.530
  289   1HB   LYS  39          HB2       LYS  39  21.584  -3.954   1.060
  290   2HB   LYS  39          HB1       LYS  39  21.635  -5.068  -0.296
  291   1HG   LYS  39          HG2       LYS  39  20.348  -2.674  -1.092
  292   2HG   LYS  39          HG1       LYS  39  21.904  -2.288  -0.355
  293   1HD   LYS  39          HD2       LYS  39  21.466  -4.271  -2.586
  294   2HD   LYS  39          HD1       LYS  39  22.111  -2.640  -2.774
  295   1HE   LYS  39          HE2       LYS  39  23.361  -4.850  -1.146
  296   2HE   LYS  39          HE1       LYS  39  23.892  -4.323  -2.741
  297   1HZ   LYS  39          HZ1       LYS  39  25.234  -3.354  -0.973
  298   2HZ   LYS  39          HZ2       LYS  39  23.860  -2.635  -0.296
  299   3HZ   LYS  39          HZ3       LYS  39  24.399  -2.153  -1.825
  300    H    GLU  40           HN       GLU  40  18.788  -4.041   2.566
  301    HA   GLU  40           HA       GLU  40  19.401  -6.577   3.786
  302   1HB   GLU  40          HB2       GLU  40  18.858  -5.604   5.831
  303   2HB   GLU  40          HB1       GLU  40  19.420  -4.213   4.916
  304   1HG   GLU  40          HG2       GLU  40  16.819  -4.099   4.325
  305   2HG   GLU  40          HG1       GLU  40  16.719  -4.875   5.902
  306    H    LEU  41           HN       LEU  41  17.020  -5.473   1.741
  307    HA   LEU  41           HA       LEU  41  14.746  -6.693   2.954
  308   1HB   LEU  41          HB2       LEU  41  15.128  -5.609   0.173
  309   2HB   LEU  41          HB1       LEU  41  13.608  -6.211   0.803
  310    HG   LEU  41           HG       LEU  41  15.069  -3.707   1.476
  311   1HD1  LEU  41          HD11      LEU  41  12.545  -4.503   0.271
  312   2HD1  LEU  41          HD12      LEU  41  13.450  -2.996   0.119
  313   3HD1  LEU  41          HD13      LEU  41  12.371  -3.244   1.492
  314   1HD2  LEU  41          HD21      LEU  41  14.659  -4.884   3.627
  315   2HD2  LEU  41          HD22      LEU  41  12.940  -4.917   3.235
  316   3HD2  LEU  41          HD23      LEU  41  13.764  -3.378   3.469
  317    H    ALA  42           HN       ALA  42  15.388  -7.389  -0.456
  318    HA   ALA  42           HA       ALA  42  14.379  -9.836  -0.581
  319   1HB   ALA  42          HB1       ALA  42  15.880 -10.399  -2.377
  320   2HB   ALA  42          HB2       ALA  42  16.947  -9.074  -1.911
  321   3HB   ALA  42          HB3       ALA  42  15.320  -8.738  -2.499
  322    H    THR  43           HN       THR  43  17.461  -9.057   0.806
  323    HA   THR  43           HA       THR  43  18.573 -11.580   1.037
  324    HB   THR  43           HB       THR  43  19.635 -10.317   3.115
  325    HG1  THR  43           HG1      THR  43  18.904  -8.046   1.603
  326   1HG2  THR  43          HG21      THR  43  20.061  -9.526   0.249
  327   2HG2  THR  43          HG22      THR  43  20.828 -10.881   1.067
  328   3HG2  THR  43          HG23      THR  43  21.204  -9.227   1.555
  329    H    GLN  44           HN       GLN  44  17.049  -9.705   3.662
  330    HA   GLN  44           HA       GLN  44  16.624 -12.039   5.229
  331   1HB   GLN  44          HB2       GLN  44  17.178 -10.075   6.443
  332   2HB   GLN  44          HB1       GLN  44  15.987  -9.114   5.576
  333   1HG   GLN  44          HG2       GLN  44  14.188 -10.292   6.713
  334   2HG   GLN  44          HG1       GLN  44  15.362 -11.312   7.544
  335   1HE2  GLN  44          HE21      GLN  44  13.961  -8.140   7.320
  336   2HE2  GLN  44          HE22      GLN  44  14.580  -7.538   8.816
  337    H    GLN  45           HN       GLN  45  14.819 -10.096   3.032
  338    HA   GLN  45           HA       GLN  45  12.229 -11.062   3.854
  339   1HB   GLN  45          HB2       GLN  45  13.087  -9.736   1.288
  340   2HB   GLN  45          HB1       GLN  45  11.426  -9.973   1.819
  341   1HG   GLN  45          HG2       GLN  45  12.058  -8.606   3.858
  342   2HG   GLN  45          HG1       GLN  45  13.512  -8.172   2.972
  343   1HE2  GLN  45          HE21      GLN  45  11.953  -8.305   0.398
  344   2HE2  GLN  45          HE22      GLN  45  11.034  -6.857   0.357
  345    H    LEU  46           HN       LEU  46  14.770 -12.136   1.786
  346    HA   LEU  46           HA       LEU  46  13.717 -13.708  -0.091
  347   1HB   LEU  46          HB2       LEU  46  16.103 -13.901   1.566
  348   2HB   LEU  46          HB1       LEU  46  15.504 -15.482   1.120
  349    HG   LEU  46           HG       LEU  46  16.548 -13.315  -0.686
  350   1HD1  LEU  46          HD11      LEU  46  18.171 -14.855   0.185
  351   2HD1  LEU  46          HD12      LEU  46  17.903 -15.192  -1.526
  352   3HD1  LEU  46          HD13      LEU  46  17.180 -16.231  -0.299
  353   1HD2  LEU  46          HD21      LEU  46  14.573 -13.915  -1.810
  354   2HD2  LEU  46          HD22      LEU  46  14.743 -15.615  -1.379
  355   3HD2  LEU  46          HD23      LEU  46  15.842 -14.888  -2.551
  356    HA   PRO  47           HA       PRO  47  12.226 -17.144   2.696
  357   1HB   PRO  47          HB2       PRO  47  12.912 -17.345   5.275
  358   2HB   PRO  47          HB1       PRO  47  13.971 -17.930   3.989
  359   1HG   PRO  47          HG2       PRO  47  14.109 -15.396   5.568
  360   2HG   PRO  47          HG1       PRO  47  15.422 -16.480   5.071
  361   1HD   PRO  47          HD2       PRO  47  14.795 -14.151   3.769
  362   2HD   PRO  47          HD1       PRO  47  15.569 -15.550   2.997
  363    H    HIS  48           HN       HIS  48  10.385 -15.739   2.383
  364    HA   HIS  48           HA       HIS  48   9.314 -14.589   4.845
  365   1HB   HIS  48          HB2       HIS  48   8.782 -14.010   1.988
  366   2HB   HIS  48          HB1       HIS  48   7.336 -14.212   2.948
  367    HD1  HIS  48           HD1      HIS  48   7.188 -12.700   5.154
  368    HD2  HIS  48           HD2      HIS  48   9.995 -11.567   2.310
  369    HE1  HIS  48           HE1      HIS  48   7.805 -10.333   5.726
  370    HE2  HIS  48           HE2      HIS  48   9.509  -9.667   3.994
  371    H    LEU  49           HN       LEU  49   6.573 -15.038   4.382
  372    HA   LEU  49           HA       LEU  49   6.342 -17.820   5.044
  373   1HB   LEU  49          HB2       LEU  49   4.819 -16.288   6.111
  374   2HB   LEU  49          HB1       LEU  49   4.315 -15.624   4.569
  375    HG   LEU  49           HG       LEU  49   3.249 -17.783   4.009
  376   1HD1  LEU  49          HD11      LEU  49   4.026 -18.527   6.825
  377   2HD1  LEU  49          HD12      LEU  49   4.642 -19.256   5.342
  378   3HD1  LEU  49          HD13      LEU  49   2.945 -19.451   5.781
  379   1HD2  LEU  49          HD21      LEU  49   1.366 -17.559   5.537
  380   2HD2  LEU  49          HD22      LEU  49   1.957 -15.974   5.036
  381   3HD2  LEU  49          HD23      LEU  49   2.357 -16.599   6.636
  382    H    LEU  50           HN       LEU  50   4.321 -16.099   2.694
  383    HA   LEU  50           HA       LEU  50   4.571 -18.274   0.788
  384   1HB   LEU  50          HB2       LEU  50   2.396 -17.154   1.210
  385   2HB   LEU  50          HB1       LEU  50   3.064 -15.660   0.583
  386    HG   LEU  50           HG       LEU  50   3.324 -16.683  -1.626
  387   1HD1  LEU  50          HD11      LEU  50   2.337 -18.897  -2.065
  388   2HD1  LEU  50          HD12      LEU  50   2.089 -19.109  -0.332
  389   3HD1  LEU  50          HD13      LEU  50   3.724 -18.976  -0.979
  390   1HD2  LEU  50          HD21      LEU  50   1.243 -15.527  -1.096
  391   2HD2  LEU  50          HD22      LEU  50   0.560 -17.027  -0.468
  392   3HD2  LEU  50          HD23      LEU  50   0.952 -16.885  -2.182
  393    H    LYS  51           HN       LYS  51   7.025 -17.403   1.022
  394    HA   LYS  51           HA       LYS  51   8.049 -15.203  -0.059
  395   1HB   LYS  51          HB2       LYS  51   9.522 -16.742   0.876
  396   2HB   LYS  51          HB1       LYS  51   9.050 -18.019  -0.237
  397   1HG   LYS  51          HG2       LYS  51  10.063 -16.592  -2.073
  398   2HG   LYS  51          HG1       LYS  51  10.768 -15.596  -0.793
  399   1HD   LYS  51          HD2       LYS  51  11.280 -18.496  -1.453
  400   2HD   LYS  51          HD1       LYS  51  12.428 -17.156  -1.456
  401   1HE   LYS  51          HE2       LYS  51  12.957 -17.584   0.659
  402   2HE   LYS  51          HE1       LYS  51  11.276 -17.333   1.121
  403   1HZ   LYS  51          HZ1       LYS  51  10.805 -19.643   0.622
  404   2HZ   LYS  51          HZ2       LYS  51  12.035 -19.521   1.777
  405   3HZ   LYS  51          HZ3       LYS  51  12.417 -19.900   0.173
  406    H    ASP  52           HN       ASP  52   8.982 -14.577  -1.972
  407    HA   ASP  52           HA       ASP  52   7.609 -15.513  -4.403
  408   1HB   ASP  52          HB2       ASP  52   7.124 -13.168  -3.799
  409   2HB   ASP  52          HB1       ASP  52   8.848 -12.807  -3.836
  410    H    VAL  53           HN       VAL  53  10.655 -14.988  -2.864
  411    HA   VAL  53           HA       VAL  53  12.711 -15.805  -3.301
  412    HB   VAL  53           HB       VAL  53  11.513 -16.714  -5.881
  413   1HG1  VAL  53          HG11      VAL  53  13.890 -16.437  -6.186
  414   2HG1  VAL  53          HG12      VAL  53  13.510 -18.157  -6.089
  415   3HG1  VAL  53          HG13      VAL  53  14.207 -17.327  -4.697
  416   1HG2  VAL  53          HG21      VAL  53  11.592 -18.950  -4.851
  417   2HG2  VAL  53          HG22      VAL  53  10.529 -17.834  -3.994
  418   3HG2  VAL  53          HG23      VAL  53  12.128 -18.199  -3.347
  419    H    GLY  54           HN       GLY  54  13.332 -13.635  -3.232
  420   1HA   GLY  54          HA2       GLY  54  13.403 -11.891  -5.439
  421   2HA   GLY  54          HA1       GLY  54  14.400 -11.760  -3.998
  422    H    SER  55           HN       SER  55  14.217 -12.905  -7.266
  423    HA   SER  55           HA       SER  55  16.528 -14.434  -7.438
  424   1HB   SER  55          HB2       SER  55  14.792 -14.108  -9.238
  425   2HB   SER  55          HB1       SER  55  15.539 -12.549  -9.584
  426    HG   SER  55           HG       SER  55  16.774 -15.098  -9.745
  427    H    LEU  56           HN       LEU  56  18.667 -13.967  -8.008
  428    HA   LEU  56           HA       LEU  56  19.980 -11.991  -6.693
  429   1HB   LEU  56          HB2       LEU  56  21.093 -13.885  -7.751
  430   2HB   LEU  56          HB1       LEU  56  20.773 -13.210  -9.337
  431    HG   LEU  56           HG       LEU  56  22.224 -11.285  -8.791
  432   1HD1  LEU  56          HD11      LEU  56  23.656 -11.390  -6.810
  433   2HD1  LEU  56          HD12      LEU  56  22.796 -12.831  -6.268
  434   3HD1  LEU  56          HD13      LEU  56  21.951 -11.287  -6.374
  435   1HD2  LEU  56          HD21      LEU  56  24.350 -12.509  -8.884
  436   2HD2  LEU  56          HD22      LEU  56  23.149 -13.188  -9.982
  437   3HD2  LEU  56          HD23      LEU  56  23.503 -13.995  -8.455
  438    H    ASP  57           HN       ASP  57  19.830 -11.773 -10.242
  439    HA   ASP  57           HA       ASP  57  20.444  -9.093 -10.446
  440   1HB   ASP  57          HB2       ASP  57  18.994 -11.012 -12.199
  441   2HB   ASP  57          HB1       ASP  57  18.887  -9.294 -12.575
  442    H    GLU  58           HN       GLU  58  17.294 -10.615 -10.087
  443    HA   GLU  58           HA       GLU  58  15.627  -8.450 -10.481
  444   1HB   GLU  58          HB2       GLU  58  14.866 -10.796 -10.079
  445   2HB   GLU  58          HB1       GLU  58  15.270 -10.602  -8.377
  446   1HG   GLU  58          HG2       GLU  58  13.634  -8.797  -8.200
  447   2HG   GLU  58          HG1       GLU  58  13.215  -9.020  -9.899
  448    H    LYS  59           HN       LYS  59  17.503  -9.406  -7.692
  449    HA   LYS  59           HA       LYS  59  16.524  -7.317  -6.055
  450   1HB   LYS  59          HB2       LYS  59  18.880  -9.136  -5.678
  451   2HB   LYS  59          HB1       LYS  59  18.276  -8.025  -4.469
  452   1HG   LYS  59          HG2       LYS  59  16.228  -9.225  -4.239
  453   2HG   LYS  59          HG1       LYS  59  16.597 -10.215  -5.653
  454   1HD   LYS  59          HD2       LYS  59  18.122 -10.213  -3.049
  455   2HD   LYS  59          HD1       LYS  59  16.980 -11.447  -3.579
  456   1HE   LYS  59          HE2       LYS  59  18.433 -11.868  -5.544
  457   2HE   LYS  59          HE1       LYS  59  19.607 -10.737  -4.871
  458   1HZ   LYS  59          HZ1       LYS  59  20.195 -12.995  -4.315
  459   2HZ   LYS  59          HZ2       LYS  59  18.684 -13.260  -3.605
  460   3HZ   LYS  59          HZ3       LYS  59  19.764 -12.161  -2.906
  461    H    MET  60           HN       MET  60  19.059  -7.578  -8.352
  462    HA   MET  60           HA       MET  60  20.495  -5.320  -7.356
  463   1HB   MET  60          HB2       MET  60  20.751  -6.834  -9.950
  464   2HB   MET  60          HB1       MET  60  21.836  -5.547  -9.440
  465   1HG   MET  60          HG2       MET  60  22.453  -6.876  -7.468
  466   2HG   MET  60          HG1       MET  60  21.409  -8.176  -8.039
  467   1HE   MET  60          HE1       MET  60  24.695  -6.114  -8.693
  468   2HE   MET  60          HE2       MET  60  23.718  -5.775 -10.122
  469   3HE   MET  60          HE3       MET  60  25.188  -6.738 -10.267
  470    H    LYS  61           HN       LYS  61  18.344  -5.962 -10.068
  471    HA   LYS  61           HA       LYS  61  18.456  -3.370 -11.191
  472   1HB   LYS  61          HB2       LYS  61  17.688  -5.159 -12.562
  473   2HB   LYS  61          HB1       LYS  61  16.465  -5.620 -11.381
  474   1HG   LYS  61          HG2       LYS  61  15.268  -3.531 -11.826
  475   2HG   LYS  61          HG1       LYS  61  16.471  -3.109 -13.047
  476   1HD   LYS  61          HD2       LYS  61  14.654  -5.519 -13.092
  477   2HD   LYS  61          HD1       LYS  61  14.490  -4.071 -14.089
  478   1HE   LYS  61          HE2       LYS  61  16.804  -6.006 -14.128
  479   2HE   LYS  61          HE1       LYS  61  15.530  -5.890 -15.341
  480   1HZ   LYS  61          HZ1       LYS  61  16.263  -3.623 -15.814
  481   2HZ   LYS  61          HZ2       LYS  61  17.507  -4.739 -16.071
  482   3HZ   LYS  61          HZ3       LYS  61  17.510  -3.775 -14.681
  483    H    THR  62           HN       THR  62  16.084  -4.929  -9.077
  484    HA   THR  62           HA       THR  62  14.226  -2.951  -8.858
  485    HB   THR  62           HB       THR  62  15.198  -4.737  -6.624
  486    HG1  THR  62           HG1      THR  62  14.096  -5.407  -8.872
  487   1HG2  THR  62          HG21      THR  62  12.897  -4.412  -5.724
  488   2HG2  THR  62          HG22      THR  62  12.645  -3.157  -6.936
  489   3HG2  THR  62          HG23      THR  62  13.880  -2.948  -5.693
  490    H    LEU  63           HN       LEU  63  17.458  -2.894  -7.590
  491    HA   LEU  63           HA       LEU  63  17.194  -1.028  -5.558
  492   1HB   LEU  63          HB2       LEU  63  19.393  -1.674  -7.467
  493   2HB   LEU  63          HB1       LEU  63  19.535  -0.249  -6.458
  494    HG   LEU  63           HG       LEU  63  18.850  -2.202  -4.642
  495   1HD1  LEU  63          HD11      LEU  63  19.951  -4.171  -5.080
  496   2HD1  LEU  63          HD12      LEU  63  20.998  -3.439  -6.295
  497   3HD1  LEU  63          HD13      LEU  63  19.306  -3.761  -6.668
  498   1HD2  LEU  63          HD21      LEU  63  21.591  -2.150  -4.568
  499   2HD2  LEU  63          HD22      LEU  63  20.520  -0.981  -3.797
  500   3HD2  LEU  63          HD23      LEU  63  21.195  -0.642  -5.391
  501    H    ASP  64           HN       ASP  64  18.620  -0.067  -8.653
  502    HA   ASP  64           HA       ASP  64  18.059   2.622  -8.442
  503   1HB   ASP  64          HB2       ASP  64  18.146   1.041 -11.016
  504   2HB   ASP  64          HB1       ASP  64  18.345   2.787 -10.848
  505    H    VAL  65           HN       VAL  65  15.902   0.042  -9.265
  506    HA   VAL  65           HA       VAL  65  13.886   1.702 -10.443
  507    HB   VAL  65           HB       VAL  65  13.673  -1.092  -9.268
  508   1HG1  VAL  65          HG11      VAL  65  11.507   0.037  -9.282
  509   2HG1  VAL  65          HG12      VAL  65  11.558  -1.237 -10.499
  510   3HG1  VAL  65          HG13      VAL  65  11.720   0.451 -10.983
  511   1HG2  VAL  65          HG21      VAL  65  13.682  -1.812 -11.614
  512   2HG2  VAL  65          HG22      VAL  65  15.173  -0.976 -11.180
  513   3HG2  VAL  65          HG23      VAL  65  13.937  -0.143 -12.123
  514    H    ASN  66           HN       ASN  66  13.600  -0.270  -7.510
  515    HA   ASN  66           HA       ASN  66  11.814   1.644  -6.295
  516   1HB   ASN  66          HB2       ASN  66  12.987  -0.971  -5.371
  517   2HB   ASN  66          HB1       ASN  66  11.944   0.015  -4.358
  518   1HD2  ASN  66          HD21      ASN  66  10.100   0.855  -6.309
  519   2HD2  ASN  66          HD22      ASN  66   9.206  -0.518  -6.846
  520    H    GLN  67           HN       GLN  67  14.035   3.085  -6.631
  521    HA   GLN  67           HA       GLN  67  15.824   2.737  -4.415
  522   1HB   GLN  67          HB2       GLN  67  17.098   4.472  -5.310
  523   2HB   GLN  67          HB1       GLN  67  16.450   3.645  -6.712
  524   1HG   GLN  67          HG2       GLN  67  15.383   6.159  -5.531
  525   2HG   GLN  67          HG1       GLN  67  16.490   6.094  -6.886
  526   1HE2  GLN  67          HE21      GLN  67  13.705   7.078  -6.540
  527   2HE2  GLN  67          HE22      GLN  67  12.795   6.311  -7.759
  528    H    ASP  68           HN       ASP  68  13.425   5.148  -5.335
  529    HA   ASP  68           HA       ASP  68  13.609   6.352  -2.717
  530   1HB   ASP  68          HB2       ASP  68  12.248   7.211  -5.247
  531   2HB   ASP  68          HB1       ASP  68  11.967   8.002  -3.698
  532    H    SER  69           HN       SER  69  12.415   3.675  -3.246
  533    HA   SER  69           HA       SER  69   9.721   3.423  -3.286
  534   1HB   SER  69          HB2       SER  69  10.749   1.365  -3.087
  535   2HB   SER  69          HB1       SER  69  11.894   1.937  -1.876
  536    HG   SER  69           HG       SER  69  10.493   1.520  -0.327
  537    H    GLU  70           HN       GLU  70  11.791   4.523  -0.778
  538    HA   GLU  70           HA       GLU  70   9.457   5.322   0.833
  539   1HB   GLU  70          HB2       GLU  70  10.715   4.254   2.419
  540   2HB   GLU  70          HB1       GLU  70  12.191   4.495   1.511
  541   1HG   GLU  70          HG2       GLU  70  12.351   5.733   3.570
  542   2HG   GLU  70          HG1       GLU  70  12.235   6.874   2.238
  543    H    LEU  71           HN       LEU  71   9.383   7.495   1.492
  544    HA   LEU  71           HA       LEU  71  11.431   9.186   0.375
  545   1HB   LEU  71          HB2       LEU  71  10.000   9.018  -1.354
  546   2HB   LEU  71          HB1       LEU  71   8.586   8.968  -0.340
  547    HG   LEU  71           HG       LEU  71   8.830  10.909  -1.625
  548   1HD1  LEU  71          HD11      LEU  71   8.929  12.395   0.695
  549   2HD1  LEU  71          HD12      LEU  71   8.140  10.869   1.045
  550   3HD1  LEU  71          HD13      LEU  71   7.527  11.909  -0.231
  551   1HD2  LEU  71          HD21      LEU  71  10.532  12.576  -0.904
  552   2HD2  LEU  71          HD22      LEU  71  11.015  11.269  -1.934
  553   3HD2  LEU  71          HD23      LEU  71  11.343  11.190  -0.238
  554    H    ARG  72           HN       ARG  72  11.691  11.175   1.336
  555    HA   ARG  72           HA       ARG  72  10.054  11.771   3.686
  556   1HB   ARG  72          HB2       ARG  72  12.657  13.127   3.228
  557   2HB   ARG  72          HB1       ARG  72  11.927  12.605   4.738
  558   1HG   ARG  72          HG2       ARG  72  13.536  11.039   2.769
  559   2HG   ARG  72          HG1       ARG  72  13.801  11.250   4.499
  560   1HD   ARG  72          HD2       ARG  72  12.046   9.374   3.033
  561   2HD   ARG  72          HD1       ARG  72  12.982   9.138   4.505
  562    HE   ARG  72           HE       ARG  72  10.249   9.976   4.335
  563   1HH1  ARG  72          HH11      ARG  72  13.143  10.067   6.264
  564   2HH1  ARG  72          HH12      ARG  72  12.296  10.293   7.758
  565   1HH2  ARG  72          HH21      ARG  72   9.121  10.275   6.293
  566   2HH2  ARG  72          HH22      ARG  72  10.008  10.411   7.775
  567    H    PHE  73           HN       PHE  73  11.419  12.971   0.693
  568    HA   PHE  73           HA       PHE  73   9.981  15.464   0.957
  569   1HB   PHE  73          HB2       PHE  73  11.306  16.393  -0.749
  570   2HB   PHE  73          HB1       PHE  73  12.392  15.485   0.272
  571    HD1  PHE  73           HD1      PHE  73  11.886  16.462  -2.916
  572    HD2  PHE  73           HD2      PHE  73  12.577  12.866  -0.778
  573    HE1  PHE  73           HE1      PHE  73  12.770  15.404  -4.948
  574    HE2  PHE  73           HE2      PHE  73  13.422  11.796  -2.766
  575    HZ   PHE  73           HZ       PHE  73  13.554  13.071  -4.884
  576    H    SER  74           HN       SER  74  10.238  14.122  -2.408
  577    HA   SER  74           HA       SER  74   7.311  14.109  -2.308
  578   1HB   SER  74          HB2       SER  74   7.608  14.621  -4.878
  579   2HB   SER  74          HB1       SER  74   7.633  15.920  -3.687
  580    HG   SER  74           HG       SER  74   9.821  14.674  -4.980
  581    H    GLU  75           HN       GLU  75   9.970  12.264  -3.071
  582    HA   GLU  75           HA       GLU  75   8.910  10.606  -5.070
  583   1HB   GLU  75          HB2       GLU  75  10.871   9.803  -2.939
  584   2HB   GLU  75          HB1       GLU  75  10.661   9.058  -4.515
  585   1HG   GLU  75          HG2       GLU  75  11.417  11.918  -4.287
  586   2HG   GLU  75          HG1       GLU  75  12.628  10.649  -4.110
  587    H    TYR  76           HN       TYR  76   7.132  10.900  -2.485
  588    HA   TYR  76           HA       TYR  76   7.022   8.382  -1.286
  589   1HB   TYR  76          HB2       TYR  76   5.498  10.864  -1.196
  590   2HB   TYR  76          HB1       TYR  76   4.501   9.439  -0.934
  591    HD1  TYR  76           HD1      TYR  76   4.997  11.680   1.018
  592    HD2  TYR  76           HD2      TYR  76   6.984   7.977   0.417
  593    HE1  TYR  76           HE1      TYR  76   5.789  11.697   3.345
  594    HE2  TYR  76           HE2      TYR  76   7.768   7.976   2.657
  595    HH   TYR  76           HH       TYR  76   8.180   9.584   4.502
  596    H    TRP  77           HN       TRP  77   5.770   9.642  -4.180
  597    HA   TRP  77           HA       TRP  77   3.714   7.792  -4.654
  598   1HB   TRP  77          HB2       TRP  77   4.037   8.291  -7.026
  599   2HB   TRP  77          HB1       TRP  77   4.156   9.781  -6.087
  600    HD1  TRP  77           HD1      TRP  77   6.620   7.104  -7.431
  601    HE1  TRP  77           HE1      TRP  77   8.738   8.308  -8.206
  602    HE3  TRP  77           HE3      TRP  77   5.322  11.884  -6.222
  603    HZ2  TRP  77           HZ2      TRP  77   9.749  10.952  -8.305
  604    HZ3  TRP  77           HZ3      TRP  77   6.914  13.698  -6.681
  605    HH2  TRP  77           HH2      TRP  77   9.085  13.241  -7.705
  606    H    ARG  78           HN       ARG  78   7.077   7.317  -4.230
  607    HA   ARG  78           HA       ARG  78   7.377   5.094  -6.011
  608   1HB   ARG  78          HB2       ARG  78   9.056   6.038  -3.682
  609   2HB   ARG  78          HB1       ARG  78   9.547   4.775  -4.808
  610   1HG   ARG  78          HG2       ARG  78   8.794   7.452  -5.866
  611   2HG   ARG  78          HG1       ARG  78  10.355   7.250  -5.080
  612   1HD   ARG  78          HD2       ARG  78  10.625   6.914  -7.444
  613   2HD   ARG  78          HD1       ARG  78  10.840   5.372  -6.618
  614    HE   ARG  78           HE       ARG  78   8.168   5.863  -7.597
  615   1HH1  ARG  78          HH11      ARG  78  11.314   4.541  -8.304
  616   2HH1  ARG  78          HH12      ARG  78  10.729   3.466  -9.528
  617   1HH2  ARG  78          HH21      ARG  78   7.390   4.454  -9.210
  618   2HH2  ARG  78          HH22      ARG  78   8.499   3.417 -10.044
  619    H    LEU  79           HN       LEU  79   6.440   5.666  -2.693
  620    HA   LEU  79           HA       LEU  79   6.478   2.941  -1.904
  621   1HB   LEU  79          HB2       LEU  79   4.412   4.461  -0.556
  622   2HB   LEU  79          HB1       LEU  79   5.775   3.602   0.102
  623    HG   LEU  79           HG       LEU  79   6.679   6.114  -1.031
  624   1HD1  LEU  79          HD11      LEU  79   5.168   6.936   1.243
  625   2HD1  LEU  79          HD12      LEU  79   4.056   6.181   0.112
  626   3HD1  LEU  79          HD13      LEU  79   5.055   7.528  -0.407
  627   1HD2  LEU  79          HD21      LEU  79   7.658   4.575   0.778
  628   2HD2  LEU  79          HD22      LEU  79   6.516   5.355   1.868
  629   3HD2  LEU  79          HD23      LEU  79   7.738   6.314   1.035
  630    H    ILE  80           HN       ILE  80   4.501   4.729  -3.988
  631    HA   ILE  80           HA       ILE  80   2.007   3.790  -3.514
  632    HB   ILE  80           HB       ILE  80   2.872   5.478  -5.298
  633   1HG1  ILE  80          HG12      ILE  80   0.504   3.674  -5.855
  634   2HG1  ILE  80          HG11      ILE  80   0.504   5.074  -4.787
  635   1HG2  ILE  80          HG21      ILE  80   4.155   3.913  -6.615
  636   2HG2  ILE  80          HG22      ILE  80   2.862   4.634  -7.571
  637   3HG2  ILE  80          HG23      ILE  80   2.698   2.986  -6.965
  638   1HD1  ILE  80          HD11      ILE  80   1.005   5.148  -7.753
  639   2HD1  ILE  80          HD12      ILE  80   0.929   6.537  -6.669
  640   3HD1  ILE  80          HD13      ILE  80  -0.512   5.561  -6.954
  641    H    GLY  81           HN       GLY  81   4.350   2.225  -5.711
  642   1HA   GLY  81          HA2       GLY  81   2.678  -0.144  -5.832
  643   2HA   GLY  81          HA1       GLY  81   4.231   0.086  -6.630
  644    H    GLU  82           HN       GLU  82   4.573   1.039  -3.463
  645    HA   GLU  82           HA       GLU  82   6.112  -1.319  -2.866
  646   1HB   GLU  82          HB2       GLU  82   5.679   1.243  -1.409
  647   2HB   GLU  82          HB1       GLU  82   6.661  -0.063  -0.761
  648   1HG   GLU  82          HG2       GLU  82   7.167   1.311  -3.382
  649   2HG   GLU  82          HG1       GLU  82   8.014   1.679  -1.881
  650    H    LEU  83           HN       LEU  83   3.510   0.418  -1.192
  651    HA   LEU  83           HA       LEU  83   3.099  -1.530   0.782
  652   1HB   LEU  83          HB2       LEU  83   1.178   0.451  -0.459
  653   2HB   LEU  83          HB1       LEU  83   0.770  -0.570   0.908
  654    HG   LEU  83           HG       LEU  83   2.679   0.499   2.165
  655   1HD1  LEU  83          HD11      LEU  83   2.666   2.286  -0.255
  656   2HD1  LEU  83          HD12      LEU  83   4.019   1.374   0.415
  657   3HD1  LEU  83          HD13      LEU  83   3.361   2.752   1.297
  658   1HD2  LEU  83          HD21      LEU  83   0.314   2.096   1.224
  659   2HD2  LEU  83          HD22      LEU  83   1.416   2.682   2.467
  660   3HD2  LEU  83          HD23      LEU  83   0.503   1.196   2.729
  661    H    ALA  84           HN       ALA  84   2.507  -1.656  -2.579
  662    HA   ALA  84           HA       ALA  84   0.533  -3.688  -2.407
  663   1HB   ALA  84          HB1       ALA  84   0.443  -2.516  -4.406
  664   2HB   ALA  84          HB2       ALA  84   1.271  -3.999  -4.879
  665   3HB   ALA  84          HB3       ALA  84   2.194  -2.525  -4.600
  666    H    LYS  85           HN       LYS  85   4.065  -3.600  -2.702
  667    HA   LYS  85           HA       LYS  85   4.757  -6.142  -3.413
  668   1HB   LYS  85          HB2       LYS  85   5.924  -4.207  -1.496
  669   2HB   LYS  85          HB1       LYS  85   6.534  -5.856  -1.463
  670   1HG   LYS  85          HG2       LYS  85   7.579  -5.659  -3.450
  671   2HG   LYS  85          HG1       LYS  85   6.324  -4.628  -4.131
  672   1HD   LYS  85          HD2       LYS  85   8.685  -3.644  -3.704
  673   2HD   LYS  85          HD1       LYS  85   7.276  -2.701  -3.278
  674   1HE   LYS  85          HE2       LYS  85   8.254  -4.456  -1.153
  675   2HE   LYS  85          HE1       LYS  85   9.383  -3.189  -1.626
  676   1HZ   LYS  85          HZ1       LYS  85   8.026  -1.570  -0.837
  677   2HZ   LYS  85          HZ2       LYS  85   7.535  -2.813   0.197
  678   3HZ   LYS  85          HZ3       LYS  85   6.607  -2.425  -1.159
  679    H    GLU  86           HN       GLU  86   3.371  -5.113  -0.433
  680    HA   GLU  86           HA       GLU  86   3.579  -7.689   0.815
  681   1HB   GLU  86          HB2       GLU  86   2.139  -6.619   2.570
  682   2HB   GLU  86          HB1       GLU  86   3.633  -5.744   2.244
  683   1HG   GLU  86          HG2       GLU  86   2.465  -4.163   0.896
  684   2HG   GLU  86          HG1       GLU  86   0.953  -5.040   1.104
  685    H    VAL  87           HN       VAL  87   1.047  -5.761  -0.718
  686    HA   VAL  87           HA       VAL  87  -0.966  -7.753  -0.249
  687    HB   VAL  87           HB       VAL  87  -0.993  -5.145  -1.776
  688   1HG1  VAL  87          HG11      VAL  87  -3.262  -7.091  -1.413
  689   2HG1  VAL  87          HG12      VAL  87  -2.538  -6.566  -2.933
  690   3HG1  VAL  87          HG13      VAL  87  -3.442  -5.425  -1.952
  691   1HG2  VAL  87          HG21      VAL  87  -0.913  -4.877   0.601
  692   2HG2  VAL  87          HG22      VAL  87  -2.231  -6.026   0.820
  693   3HG2  VAL  87          HG23      VAL  87  -2.534  -4.475   0.038
  694    H    ARG  88           HN       ARG  88   1.481  -7.581  -2.495
  695    HA   ARG  88           HA       ARG  88   0.020  -8.452  -4.792
  696   1HB   ARG  88          HB2       ARG  88   2.227  -7.287  -4.881
  697   2HB   ARG  88          HB1       ARG  88   2.974  -8.755  -4.261
  698   1HG   ARG  88          HG2       ARG  88   2.283  -9.985  -6.217
  699   2HG   ARG  88          HG1       ARG  88   1.407  -8.577  -6.823
  700   1HD   ARG  88          HD2       ARG  88   3.518  -7.337  -6.964
  701   2HD   ARG  88          HD1       ARG  88   4.385  -8.751  -6.368
  702    HE   ARG  88           HE       ARG  88   2.970  -9.554  -8.614
  703   1HH1  ARG  88          HH11      ARG  88   5.524  -7.325  -7.823
  704   2HH1  ARG  88          HH12      ARG  88   6.283  -7.439  -9.375
  705   1HH2  ARG  88          HH21      ARG  88   3.960  -9.713 -10.664
  706   2HH2  ARG  88          HH22      ARG  88   5.392  -8.796 -10.992
  707    H    LYS  89           HN       LYS  89   2.157 -10.178  -2.545
  708    HA   LYS  89           HA       LYS  89   1.349 -12.686  -3.722
  709   1HB   LYS  89          HB2       LYS  89   2.837 -13.794  -2.106
  710   2HB   LYS  89          HB1       LYS  89   3.639 -12.649  -3.141
  711   1HG   LYS  89          HG2       LYS  89   2.923 -12.136  -0.246
  712   2HG   LYS  89          HG1       LYS  89   4.465 -12.712  -0.819
  713   1HD   LYS  89          HD2       LYS  89   3.277  -9.995  -1.068
  714   2HD   LYS  89          HD1       LYS  89   4.888 -10.480  -0.589
  715   1HE   LYS  89          HE2       LYS  89   3.766 -10.292  -3.370
  716   2HE   LYS  89          HE1       LYS  89   5.153  -9.462  -2.693
  717   1HZ   LYS  89          HZ1       LYS  89   6.466 -11.094  -3.333
  718   2HZ   LYS  89          HZ2       LYS  89   5.161 -11.797  -4.144
  719   3HZ   LYS  89          HZ3       LYS  89   5.517 -12.264  -2.560
  720    H    GLU  90           HN       GLU  90   0.610 -10.705  -1.032
  721    HA   GLU  90           HA       GLU  90  -0.706 -12.596   0.562
  722   1HB   GLU  90          HB2       GLU  90  -0.842  -9.605   0.301
  723   2HB   GLU  90          HB1       GLU  90  -1.938 -10.469   1.386
  724   1HG   GLU  90          HG2       GLU  90   0.005 -11.442   2.527
  725   2HG   GLU  90          HG1       GLU  90   1.061 -10.534   1.450
  726    H    LYS  91           HN       LYS  91  -1.494 -11.327  -2.493
  727    HA   LYS  91           HA       LYS  91  -4.279 -11.287  -2.383
  728   1HB   LYS  91          HB2       LYS  91  -4.269 -11.207  -4.722
  729   2HB   LYS  91          HB1       LYS  91  -2.767 -10.433  -4.245
  730   1HG   LYS  91          HG2       LYS  91  -1.547 -12.491  -4.742
  731   2HG   LYS  91          HG1       LYS  91  -3.058 -13.268  -5.217
  732   1HD   LYS  91          HD2       LYS  91  -3.355 -11.545  -6.966
  733   2HD   LYS  91          HD1       LYS  91  -1.787 -10.865  -6.525
  734   1HE   LYS  91          HE2       LYS  91  -0.705 -12.979  -7.103
  735   2HE   LYS  91          HE1       LYS  91  -2.271 -13.668  -7.529
  736   1HZ   LYS  91          HZ1       LYS  91  -0.950 -11.370  -8.871
  737   2HZ   LYS  91          HZ2       LYS  91  -2.478 -11.978  -9.264
  738   3HZ   LYS  91          HZ3       LYS  91  -1.103 -12.936  -9.495
  739    H    ALA  92           HN       ALA  92  -2.028 -13.844  -3.222
  740    HA   ALA  92           HA       ALA  92  -4.121 -15.815  -3.523
  741   1HB   ALA  92          HB1       ALA  92  -2.329 -17.381  -3.999
  742   2HB   ALA  92          HB2       ALA  92  -1.130 -16.202  -3.467
  743   3HB   ALA  92          HB3       ALA  92  -2.094 -15.889  -4.910
  744    H    LEU  93           HN       LEU  93  -2.083 -14.744  -0.920
  745    HA   LEU  93           HA       LEU  93  -2.544 -17.157   0.633
  746   1HB   LEU  93          HB2       LEU  93  -0.484 -15.605   0.832
  747   2HB   LEU  93          HB1       LEU  93  -1.550 -14.567   1.769
  748    HG   LEU  93           HG       LEU  93  -1.907 -17.142   2.836
  749   1HD1  LEU  93          HD11      LEU  93   0.155 -17.844   1.735
  750   2HD1  LEU  93          HD12      LEU  93   0.375 -17.768   3.483
  751   3HD1  LEU  93          HD13      LEU  93   1.023 -16.490   2.455
  752   1HD2  LEU  93          HD21      LEU  93  -2.022 -15.011   4.042
  753   2HD2  LEU  93          HD22      LEU  93  -0.279 -14.806   3.865
  754   3HD2  LEU  93          HD23      LEU  93  -0.916 -16.135   4.834
  755    H    GLY  94           HN       GLY  94  -4.035 -14.051   0.239
  756   1HA   GLY  94          HA2       GLY  94  -5.476 -13.775   2.566
  757   2HA   GLY  94          HA1       GLY  94  -6.108 -13.351   0.981
  758    H    ILE  95           HN       ILE  95  -6.007 -16.035  -0.061
  759    HA   ILE  95           HA       ILE  95  -8.570 -16.867   0.858
  760    HB   ILE  95           HB       ILE  95  -8.230 -18.812  -0.684
  761   1HG1  ILE  95          HG12      ILE  95  -5.836 -17.385  -1.736
  762   2HG1  ILE  95          HG11      ILE  95  -5.629 -18.541  -0.422
  763   1HG2  ILE  95          HG21      ILE  95  -7.769 -16.087  -1.836
  764   2HG2  ILE  95          HG22      ILE  95  -9.331 -16.763  -1.367
  765   3HG2  ILE  95          HG23      ILE  95  -8.421 -17.485  -2.695
  766   1HD1  ILE  95          HD11      ILE  95  -5.216 -19.543  -2.609
  767   2HD1  ILE  95          HD12      ILE  95  -6.856 -19.129  -3.108
  768   3HD1  ILE  95          HD13      ILE  95  -6.596 -20.289  -1.805
  769    H    ARG  96           HN       ARG  96  -7.399 -16.940   3.121
  770    HA   ARG  96           HA       ARG  96  -5.947 -19.243   3.794
  771   1HB   ARG  96          HB2       ARG  96  -7.558 -17.239   5.295
  772   2HB   ARG  96          HB1       ARG  96  -6.951 -18.658   6.138
  773   1HG   ARG  96          HG2       ARG  96  -5.060 -17.536   6.461
  774   2HG   ARG  96          HG1       ARG  96  -4.781 -17.603   4.719
  775   1HD   ARG  96          HD2       ARG  96  -5.952 -15.521   4.406
  776   2HD   ARG  96          HD1       ARG  96  -6.393 -15.470   6.112
  777    HE   ARG  96           HE       ARG  96  -3.596 -15.588   5.886
  778   1HH1  ARG  96          HH11      ARG  96  -6.257 -13.421   5.285
  779   2HH1  ARG  96          HH12      ARG  96  -5.315 -11.988   5.525
  780   1HH2  ARG  96          HH21      ARG  96  -2.345 -13.705   6.206
  781   2HH2  ARG  96          HH22      ARG  96  -3.090 -12.150   6.047
  782    H    LYS  97           HN       LYS  97  -9.287 -18.600   3.150
  783    HA   LYS  97           HA       LYS  97 -10.165 -21.114   4.305
  784   1HB   LYS  97          HB2       LYS  97 -12.228 -20.166   2.663
  785   2HB   LYS  97          HB1       LYS  97 -12.133 -20.040   4.407
  786   1HG   LYS  97          HG2       LYS  97 -11.086 -17.936   2.499
  787   2HG   LYS  97          HG1       LYS  97 -12.677 -17.920   3.253
  788   1HD   LYS  97          HD2       LYS  97 -11.851 -17.473   5.340
  789   2HD   LYS  97          HD1       LYS  97 -10.285 -18.210   5.003
  790   1HE   LYS  97          HE2       LYS  97  -9.583 -16.349   3.721
  791   2HE   LYS  97          HE1       LYS  97 -11.216 -15.675   3.673
  792   1HZ   LYS  97          HZ1       LYS  97  -9.547 -15.953   6.118
  793   2HZ   LYS  97          HZ2       LYS  97 -11.084 -15.252   6.035
  794   3HZ   LYS  97          HZ3       LYS  97  -9.778 -14.517   5.252
  795    H    LYS  98           HN       LYS  98  -8.783 -22.458   3.094
  796    HA   LYS  98           HA       LYS  98  -9.349 -22.634   0.220
  797   1HB   LYS  98          HB2       LYS  98  -7.105 -23.896   1.811
  798   2HB   LYS  98          HB1       LYS  98  -7.288 -23.942   0.065
  799   1HG   LYS  98          HG2       LYS  98  -7.142 -21.405   0.127
  800   2HG   LYS  98          HG1       LYS  98  -6.599 -21.574   1.801
  801   1HD   LYS  98          HD2       LYS  98  -4.783 -23.058   1.012
  802   2HD   LYS  98          HD1       LYS  98  -5.291 -22.749  -0.650
  803   1HE   LYS  98          HE2       LYS  98  -4.869 -20.360  -0.332
  804   2HE   LYS  98          HE1       LYS  98  -4.364 -20.670   1.329
  805   1HZ   LYS  98          HZ1       LYS  98  -2.548 -22.024   0.487
  806   2HZ   LYS  98          HZ2       LYS  98  -2.465 -20.457  -0.144
  807   3HZ   LYS  98          HZ3       LYS  98  -3.033 -21.726  -1.107
  808   1H    MET   1          HT1       MET   1  18.168  -4.010  -1.825
  809   2H    MET   1          HT2       MET   1  18.577  -3.881  -3.460
  810   3H    MET   1          HT3       MET   1  19.580  -4.743  -2.407
  811    HA   MET   1           HA       MET   1  18.387  -6.329  -3.630
  812   1HB   MET   1          HB2       MET   1  17.355  -5.901  -0.842
  813   2HB   MET   1          HB1       MET   1  16.716  -7.188  -1.822
  814   1HG   MET   1          HG2       MET   1  19.233  -7.016  -0.385
  815   2HG   MET   1          HG1       MET   1  18.292  -8.405  -0.800
  816   1HE   MET   1          HE1       MET   1  22.230  -8.368  -2.102
  817   2HE   MET   1          HE2       MET   1  21.211  -9.553  -1.290
  818   3HE   MET   1          HE3       MET   1  21.398  -7.937  -0.608
  819    H    ALA   2           HN       ALA   2  16.066  -7.387  -3.638
  820    HA   ALA   2           HA       ALA   2  14.256  -5.296  -4.616
  821   1HB   ALA   2          HB1       ALA   2  14.768  -6.627  -6.460
  822   2HB   ALA   2          HB2       ALA   2  13.186  -7.190  -5.931
  823   3HB   ALA   2          HB3       ALA   2  14.632  -8.119  -5.534
  824    H    ALA   3           HN       ALA   3  11.976  -5.690  -4.429
  825    HA   ALA   3           HA       ALA   3  11.274  -6.792  -1.824
  826   1HB   ALA   3          HB1       ALA   3   9.610  -5.363  -3.886
  827   2HB   ALA   3          HB2       ALA   3  10.391  -4.629  -2.485
  828   3HB   ALA   3          HB3       ALA   3   9.098  -5.805  -2.259
  829    H    GLU   4           HN       GLU   4  11.771  -8.990  -2.527
  830    HA   GLU   4           HA       GLU   4  10.325 -10.251  -4.605
  831   1HB   GLU   4          HB2       GLU   4  10.875 -12.300  -2.798
  832   2HB   GLU   4          HB1       GLU   4  11.844 -11.825  -4.177
  833   1HG   GLU   4          HG2       GLU   4  13.213 -12.035  -2.197
  834   2HG   GLU   4          HG1       GLU   4  13.179 -10.364  -2.752
  835    H    THR   5           HN       THR   5   9.945 -11.487  -1.312
  836    HA   THR   5           HA       THR   5   7.178 -11.848  -1.744
  837    HB   THR   5           HB       THR   5   8.324 -11.996   0.992
  838    HG1  THR   5           HG1      THR   5   9.827 -13.313   0.317
  839   1HG2  THR   5          HG21      THR   5   6.792 -13.828   1.182
  840   2HG2  THR   5          HG22      THR   5   6.543 -13.875  -0.556
  841   3HG2  THR   5          HG23      THR   5   5.931 -12.518   0.386
  842    H    LEU   6           HN       LEU   6   6.693 -11.035   1.246
  843    HA   LEU   6           HA       LEU   6   5.631  -8.449   0.589
  844   1HB   LEU   6          HB2       LEU   6   5.388  -9.353   3.366
  845   2HB   LEU   6          HB1       LEU   6   4.161  -8.784   2.257
  846    HG   LEU   6           HG       LEU   6   4.476 -11.147   1.182
  847   1HD1  LEU   6          HD11      LEU   6   6.332 -11.481   3.077
  848   2HD1  LEU   6          HD12      LEU   6   5.348 -12.814   2.475
  849   3HD1  LEU   6          HD13      LEU   6   4.917 -12.011   3.985
  850   1HD2  LEU   6          HD21      LEU   6   2.504 -11.734   2.183
  851   2HD2  LEU   6          HD22      LEU   6   2.542 -10.010   2.557
  852   3HD2  LEU   6          HD23      LEU   6   3.027 -11.187   3.776
  853    H    THR   7           HN       THR   7   6.846  -6.668   0.881
  854    HA   THR   7           HA       THR   7   9.205  -6.689   2.455
  855    HB   THR   7           HB       THR   7   8.735  -4.054   2.331
  856    HG1  THR   7           HG1      THR   7   6.595  -4.583   1.387
  857   1HG2  THR   7          HG21      THR   7   9.899  -3.962   0.182
  858   2HG2  THR   7          HG22      THR   7   9.589  -5.680  -0.088
  859   3HG2  THR   7          HG23      THR   7  10.630  -5.160   1.237
  860    H    GLU   8           HN       GLU   8   9.464  -5.093   4.372
  861    HA   GLU   8           HA       GLU   8   8.015  -5.900   6.522
  862   1HB   GLU   8          HB2       GLU   8   8.977  -3.055   6.195
  863   2HB   GLU   8          HB1       GLU   8   8.737  -3.925   7.706
  864   1HG   GLU   8          HG2       GLU   8  10.504  -5.532   6.944
  865   2HG   GLU   8          HG1       GLU   8  10.830  -4.424   5.612
  866    H    LEU   9           HN       LEU   9   7.073  -3.613   4.129
  867    HA   LEU   9           HA       LEU   9   4.999  -2.219   5.197
  868   1HB   LEU   9          HB2       LEU   9   4.799  -3.538   2.505
  869   2HB   LEU   9          HB1       LEU   9   4.198  -1.967   2.983
  870    HG   LEU   9           HG       LEU   9   6.980  -2.793   2.263
  871   1HD1  LEU   9          HD11      LEU   9   6.872  -0.603   1.061
  872   2HD1  LEU   9          HD12      LEU   9   5.164  -0.532   1.496
  873   3HD1  LEU   9          HD13      LEU   9   5.766  -1.849   0.492
  874   1HD2  LEU   9          HD21      LEU   9   7.824  -1.708   4.018
  875   2HD2  LEU   9          HD22      LEU   9   6.284  -0.946   4.410
  876   3HD2  LEU   9          HD23      LEU   9   7.325  -0.243   3.179
  877    H    GLU  10           HN       GLU  10   5.130  -5.630   4.519
  878    HA   GLU  10           HA       GLU  10   2.432  -6.273   4.374
  879   1HB   GLU  10          HB2       GLU  10   3.226  -8.435   5.615
  880   2HB   GLU  10          HB1       GLU  10   3.805  -8.099   3.988
  881   1HG   GLU  10          HG2       GLU  10   5.901  -8.054   4.670
  882   2HG   GLU  10          HG1       GLU  10   5.526  -6.888   5.935
  883    H    ALA  11           HN       ALA  11   4.489  -5.609   7.146
  884    HA   ALA  11           HA       ALA  11   2.698  -6.253   9.197
  885   1HB   ALA  11          HB1       ALA  11   5.194  -5.542   9.307
  886   2HB   ALA  11          HB2       ALA  11   4.121  -5.087  10.628
  887   3HB   ALA  11          HB3       ALA  11   4.550  -3.903   9.396
  888    H    ALA  12           HN       ALA  12   3.034  -3.455   7.137
  889    HA   ALA  12           HA       ALA  12   1.157  -1.807   8.490
  890   1HB   ALA  12          HB1       ALA  12   1.971  -1.676   5.588
  891   2HB   ALA  12          HB2       ALA  12   2.883  -0.955   6.913
  892   3HB   ALA  12          HB3       ALA  12   1.254  -0.385   6.551
  893    H    ILE  13           HN       ILE  13   0.932  -4.421   6.222
  894    HA   ILE  13           HA       ILE  13  -1.504  -3.982   5.021
  895    HB   ILE  13           HB       ILE  13   0.211  -6.020   4.897
  896   1HG1  ILE  13          HG12      ILE  13  -1.689  -5.382   3.352
  897   2HG1  ILE  13          HG11      ILE  13  -1.294  -7.098   3.405
  898   1HG2  ILE  13          HG21      ILE  13  -2.047  -7.362   6.344
  899   2HG2  ILE  13          HG22      ILE  13  -0.572  -6.859   7.166
  900   3HG2  ILE  13          HG23      ILE  13  -0.492  -8.039   5.857
  901   1HD1  ILE  13          HD11      ILE  13  -3.603  -5.716   4.747
  902   2HD1  ILE  13          HD12      ILE  13  -3.174  -7.407   5.002
  903   3HD1  ILE  13          HD13      ILE  13  -3.665  -6.854   3.401
  904    H    GLU  14           HN       GLU  14  -0.754  -4.885   8.281
  905    HA   GLU  14           HA       GLU  14  -3.303  -5.765   9.105
  906   1HB   GLU  14          HB2       GLU  14  -1.012  -4.602  10.690
  907   2HB   GLU  14          HB1       GLU  14  -2.437  -5.344  11.404
  908   1HG   GLU  14          HG2       GLU  14  -1.878  -7.451  10.254
  909   2HG   GLU  14          HG1       GLU  14  -0.410  -6.695   9.636
  910    H    THR  15           HN       THR  15  -1.772  -2.537   9.137
  911    HA   THR  15           HA       THR  15  -3.837  -1.315  10.584
  912    HB   THR  15           HB       THR  15  -1.886  -0.073   8.654
  913    HG1  THR  15           HG1      THR  15  -0.836   0.500  10.711
  914   1HG2  THR  15          HG21      THR  15  -3.706   1.145  10.728
  915   2HG2  THR  15          HG22      THR  15  -3.696   1.453   8.991
  916   3HG2  THR  15          HG23      THR  15  -2.354   2.005   9.993
  917    H    VAL  16           HN       VAL  16  -2.997  -1.231   7.174
  918    HA   VAL  16           HA       VAL  16  -5.240   0.123   6.191
  919    HB   VAL  16           HB       VAL  16  -3.188  -0.187   4.907
  920   1HG1  VAL  16          HG11      VAL  16  -3.986  -3.097   4.839
  921   2HG1  VAL  16          HG12      VAL  16  -2.594  -2.407   5.672
  922   3HG1  VAL  16          HG13      VAL  16  -2.670  -2.380   3.912
  923   1HG2  VAL  16          HG21      VAL  16  -4.360  -1.334   2.808
  924   2HG2  VAL  16          HG22      VAL  16  -4.778   0.277   3.365
  925   3HG2  VAL  16          HG23      VAL  16  -5.796  -1.088   3.802
  926    H    VAL  17           HN       VAL  17  -4.747  -3.313   6.842
  927    HA   VAL  17           HA       VAL  17  -7.228  -4.029   5.588
  928    HB   VAL  17           HB       VAL  17  -5.265  -5.590   5.748
  929   1HG1  VAL  17          HG11      VAL  17  -6.201  -6.125   8.553
  930   2HG1  VAL  17          HG12      VAL  17  -4.856  -5.047   8.194
  931   3HG1  VAL  17          HG13      VAL  17  -4.764  -6.746   7.739
  932   1HG2  VAL  17          HG21      VAL  17  -6.648  -7.584   6.127
  933   2HG2  VAL  17          HG22      VAL  17  -7.472  -6.386   5.128
  934   3HG2  VAL  17          HG23      VAL  17  -7.905  -6.565   6.828
  935    H    SER  18           HN       SER  18  -6.056  -3.619   8.885
  936    HA   SER  18           HA       SER  18  -8.610  -4.275  10.028
  937   1HB   SER  18          HB2       SER  18  -6.567  -4.803  11.261
  938   2HB   SER  18          HB1       SER  18  -6.126  -3.096  11.296
  939    HG   SER  18           HG       SER  18  -7.133  -3.279  13.172
  940    H    THR  19           HN       THR  19  -7.403  -1.528   8.526
  941    HA   THR  19           HA       THR  19  -8.883   0.323  10.178
  942    HB   THR  19           HB       THR  19  -8.205   2.007   8.347
  943    HG1  THR  19           HG1      THR  19  -7.279  -0.187   7.187
  944   1HG2  THR  19          HG21      THR  19  -5.824   2.044   9.283
  945   2HG2  THR  19          HG22      THR  19  -6.316   0.645  10.239
  946   3HG2  THR  19          HG23      THR  19  -7.157   2.182  10.429
  947    H    PHE  20           HN       PHE  20  -8.931   0.591   6.689
  948    HA   PHE  20           HA       PHE  20 -11.752   1.113   6.728
  949   1HB   PHE  20          HB2       PHE  20 -10.732   2.542   5.270
  950   2HB   PHE  20          HB1       PHE  20  -9.468   1.392   4.892
  951    HD1  PHE  20           HD1      PHE  20  -9.316   0.933   2.680
  952    HD2  PHE  20           HD2      PHE  20 -13.168   1.521   4.384
  953    HE1  PHE  20           HE1      PHE  20 -10.342   0.521   0.485
  954    HE2  PHE  20           HE2      PHE  20 -14.200   1.109   2.190
  955    HZ   PHE  20           HZ       PHE  20 -12.782   0.603   0.244
  956    H    PHE  21           HN       PHE  21  -9.657  -1.345   5.404
  957    HA   PHE  21           HA       PHE  21 -11.530  -2.703   3.937
  958   1HB   PHE  21          HB2       PHE  21  -9.071  -3.731   5.360
  959   2HB   PHE  21          HB1       PHE  21  -9.938  -4.618   4.130
  960    HD1  PHE  21           HD1      PHE  21 -10.270  -1.512   2.891
  961    HD2  PHE  21           HD2      PHE  21  -7.186  -4.319   3.724
  962    HE1  PHE  21           HE1      PHE  21  -8.833  -0.448   1.210
  963    HE2  PHE  21           HE2      PHE  21  -5.755  -3.249   2.071
  964    HZ   PHE  21           HZ       PHE  21  -6.572  -1.315   0.786
  965    H    THR  22           HN       THR  22 -11.294  -2.490   7.318
  966    HA   THR  22           HA       THR  22 -12.322  -4.916   8.176
  967    HB   THR  22           HB       THR  22 -13.188  -3.721  10.109
  968    HG1  THR  22           HG1      THR  22 -13.512  -1.733   8.385
  969   1HG2  THR  22          HG21      THR  22 -10.769  -4.120   9.900
  970   2HG2  THR  22          HG22      THR  22 -11.149  -2.677  10.839
  971   3HG2  THR  22          HG23      THR  22 -10.603  -2.524   9.166
  972    H    PHE  23           HN       PHE  23 -13.816  -2.391   6.391
  973    HA   PHE  23           HA       PHE  23 -16.486  -2.845   7.093
  974   1HB   PHE  23          HB2       PHE  23 -16.797  -1.029   5.843
  975   2HB   PHE  23          HB1       PHE  23 -15.055  -1.032   5.609
  976    HD1  PHE  23           HD1      PHE  23 -14.461  -0.437   3.596
  977    HD2  PHE  23           HD2      PHE  23 -17.916  -2.865   3.970
  978    HE1  PHE  23           HE1      PHE  23 -14.724  -0.432   1.163
  979    HE2  PHE  23           HE2      PHE  23 -18.181  -2.884   1.544
  980    HZ   PHE  23           HZ       PHE  23 -16.597  -1.646   0.147
  981    H    ALA  24           HN       ALA  24 -14.374  -4.783   5.313
  982    HA   ALA  24           HA       ALA  24 -15.760  -6.050   3.354
  983   1HB   ALA  24          HB1       ALA  24 -13.521  -6.630   4.813
  984   2HB   ALA  24          HB2       ALA  24 -14.193  -7.645   3.536
  985   3HB   ALA  24          HB3       ALA  24 -14.590  -7.970   5.223
  986    H    GLY  25           HN       GLY  25 -16.041  -6.772   6.793
  987   1HA   GLY  25          HA2       GLY  25 -17.706  -8.805   7.023
  988   2HA   GLY  25          HA1       GLY  25 -17.902  -7.380   8.024
  989    H    ARG  26           HN       ARG  26 -18.787  -5.734   5.622
  990    HA   ARG  26           HA       ARG  26 -21.534  -6.103   5.933
  991   1HB   ARG  26          HB2       ARG  26 -19.863  -4.610   3.978
  992   2HB   ARG  26          HB1       ARG  26 -21.542  -4.924   3.537
  993   1HG   ARG  26          HG2       ARG  26 -21.971  -4.073   6.003
  994   2HG   ARG  26          HG1       ARG  26 -20.452  -3.245   5.705
  995   1HD   ARG  26          HD2       ARG  26 -22.326  -1.820   5.122
  996   2HD   ARG  26          HD1       ARG  26 -21.404  -2.240   3.682
  997    HE   ARG  26           HE       ARG  26 -23.310  -4.121   3.675
  998   1HH1  ARG  26          HH11      ARG  26 -23.481  -0.662   4.083
  999   2HH1  ARG  26          HH12      ARG  26 -25.071  -0.535   3.408
 1000   1HH2  ARG  26          HH21      ARG  26 -25.399  -3.958   2.786
 1001   2HH2  ARG  26          HH22      ARG  26 -26.160  -2.407   2.669
 1002    H    GLU  27           HN       GLU  27 -19.285  -7.528   3.724
 1003    HA   GLU  27           HA       GLU  27 -21.335  -8.893   2.213
 1004   1HB   GLU  27          HB2       GLU  27 -18.347  -9.365   2.292
 1005   2HB   GLU  27          HB1       GLU  27 -19.460 -10.046   1.113
 1006   1HG   GLU  27          HG2       GLU  27 -18.807  -7.134   1.488
 1007   2HG   GLU  27          HG1       GLU  27 -18.282  -8.174   0.164
 1008    H    GLY  28           HN       GLY  28 -22.330 -10.692   2.764
 1009   1HA   GLY  28          HA2       GLY  28 -22.376 -12.004   5.088
 1010   2HA   GLY  28          HA1       GLY  28 -22.663 -12.838   3.575
 1011    H    ARG  29           HN       ARG  29 -21.123 -14.211   2.751
 1012    HA   ARG  29           HA       ARG  29 -19.599 -15.704   4.427
 1013   1HB   ARG  29          HB2       ARG  29 -20.105 -16.221   2.028
 1014   2HB   ARG  29          HB1       ARG  29 -18.835 -15.101   1.562
 1015   1HG   ARG  29          HG2       ARG  29 -18.138 -17.463   1.487
 1016   2HG   ARG  29          HG1       ARG  29 -17.143 -16.504   2.590
 1017   1HD   ARG  29          HD2       ARG  29 -17.687 -18.624   3.616
 1018   2HD   ARG  29          HD1       ARG  29 -18.529 -17.333   4.472
 1019    HE   ARG  29           HE       ARG  29 -20.086 -18.598   2.402
 1020   1HH1  ARG  29          HH11      ARG  29 -19.155 -18.659   5.758
 1021   2HH1  ARG  29          HH12      ARG  29 -20.558 -19.538   6.265
 1022   1HH2  ARG  29          HH21      ARG  29 -21.938 -19.758   3.061
 1023   2HH2  ARG  29          HH22      ARG  29 -22.140 -20.163   4.733
 1024    H    LYS  30           HN       LYS  30 -17.165 -15.956   4.427
 1025    HA   LYS  30           HA       LYS  30 -15.964 -13.340   5.005
 1026   1HB   LYS  30          HB2       LYS  30 -15.887 -15.798   6.316
 1027   2HB   LYS  30          HB1       LYS  30 -14.333 -15.737   5.495
 1028   1HG   LYS  30          HG2       LYS  30 -14.121 -14.845   7.718
 1029   2HG   LYS  30          HG1       LYS  30 -13.896 -13.551   6.537
 1030   1HD   LYS  30          HD2       LYS  30 -16.222 -12.849   6.877
 1031   2HD   LYS  30          HD1       LYS  30 -16.429 -14.132   8.071
 1032   1HE   LYS  30          HE2       LYS  30 -16.014 -11.993   9.158
 1033   2HE   LYS  30          HE1       LYS  30 -14.693 -13.121   9.460
 1034   1HZ   LYS  30          HZ1       LYS  30 -13.898 -10.892   8.916
 1035   2HZ   LYS  30          HZ2       LYS  30 -14.668 -10.970   7.412
 1036   3HZ   LYS  30          HZ3       LYS  30 -13.392 -12.024   7.764
 1037    H    GLY  31           HN       GLY  31 -16.317 -13.532   2.427
 1038   1HA   GLY  31          HA2       GLY  31 -13.876 -14.598   1.163
 1039   2HA   GLY  31          HA1       GLY  31 -15.324 -14.051   0.322
 1040    H    SER  32           HN       SER  32 -15.762 -11.703   0.380
 1041    HA   SER  32           HA       SER  32 -13.329 -10.191   0.924
 1042   1HB   SER  32          HB2       SER  32 -13.685  -8.993  -1.309
 1043   2HB   SER  32          HB1       SER  32 -12.964 -10.599  -1.344
 1044    HG   SER  32           HG       SER  32 -15.397  -9.722  -2.299
 1045    H    LEU  33           HN       LEU  33 -13.645  -7.903   0.307
 1046    HA   LEU  33           HA       LEU  33 -16.031  -6.891   1.631
 1047   1HB   LEU  33          HB2       LEU  33 -14.050  -5.998   2.514
 1048   2HB   LEU  33          HB1       LEU  33 -13.334  -5.851   0.937
 1049    HG   LEU  33           HG       LEU  33 -15.683  -4.143   1.516
 1050   1HD1  LEU  33          HD11      LEU  33 -13.673  -2.572   2.413
 1051   2HD1  LEU  33          HD12      LEU  33 -13.201  -4.130   3.071
 1052   3HD1  LEU  33          HD13      LEU  33 -14.774  -3.472   3.450
 1053   1HD2  LEU  33          HD21      LEU  33 -14.283  -4.273  -0.645
 1054   2HD2  LEU  33          HD22      LEU  33 -13.062  -3.384   0.262
 1055   3HD2  LEU  33          HD23      LEU  33 -14.651  -2.681   0.009
 1056    H    ASN  34           HN       ASN  34 -17.238  -5.007   0.570
 1057    HA   ASN  34           HA       ASN  34 -16.765  -5.199  -2.324
 1058   1HB   ASN  34          HB2       ASN  34 -18.827  -6.381  -1.365
 1059   2HB   ASN  34          HB1       ASN  34 -19.487  -4.772  -1.124
 1060   1HD2  ASN  34          HD21      ASN  34 -18.411  -7.117  -3.468
 1061   2HD2  ASN  34          HD22      ASN  34 -19.214  -6.422  -4.831
 1062    H    ILE  35           HN       ILE  35 -19.208  -3.109  -1.996
 1063    HA   ILE  35           HA       ILE  35 -17.513  -0.855  -1.364
 1064    HB   ILE  35           HB       ILE  35 -18.710   0.323  -3.393
 1065   1HG1  ILE  35          HG12      ILE  35 -18.835  -1.156  -5.337
 1066   2HG1  ILE  35          HG11      ILE  35 -18.391  -2.536  -4.336
 1067   1HG2  ILE  35          HG21      ILE  35 -16.170  -1.147  -3.091
 1068   2HG2  ILE  35          HG22      ILE  35 -16.464   0.557  -3.440
 1069   3HG2  ILE  35          HG23      ILE  35 -16.597  -0.642  -4.722
 1070   1HD1  ILE  35          HD11      ILE  35 -20.712  -2.665  -4.645
 1071   2HD1  ILE  35          HD12      ILE  35 -20.936  -0.955  -4.288
 1072   3HD1  ILE  35          HD13      ILE  35 -20.480  -2.069  -3.002
 1073    H    ASN  36           HN       ASN  36 -19.662  -2.108   0.015
 1074    HA   ASN  36           HA       ASN  36 -21.901  -0.304  -0.154
 1075   1HB   ASN  36          HB2       ASN  36 -21.237  -2.518   1.798
 1076   2HB   ASN  36          HB1       ASN  36 -22.716  -1.564   1.850
 1077   1HD2  ASN  36          HD21      ASN  36 -24.281  -1.867   0.273
 1078   2HD2  ASN  36          HD22      ASN  36 -24.285  -3.246  -0.767
 1079    H    GLU  37           HN       GLU  37 -19.742  -1.202   2.609
 1080    HA   GLU  37           HA       GLU  37 -20.244   1.386   3.733
 1081   1HB   GLU  37          HB2       GLU  37 -17.817  -0.141   4.462
 1082   2HB   GLU  37          HB1       GLU  37 -18.813   0.878   5.466
 1083   1HG   GLU  37          HG2       GLU  37 -20.624  -0.828   5.204
 1084   2HG   GLU  37          HG1       GLU  37 -19.404  -1.899   4.506
 1085    H    PHE  38           HN       PHE  38 -18.042   0.247   1.313
 1086    HA   PHE  38           HA       PHE  38 -15.985   2.060   1.463
 1087   1HB   PHE  38          HB2       PHE  38 -16.366   0.233  -0.263
 1088   2HB   PHE  38          HB1       PHE  38 -17.413   1.352  -1.116
 1089    HD1  PHE  38           HD1      PHE  38 -14.405  -0.095  -1.299
 1090    HD2  PHE  38           HD2      PHE  38 -16.047   3.818  -1.244
 1091    HE1  PHE  38           HE1      PHE  38 -12.418   0.748  -2.480
 1092    HE2  PHE  38           HE2      PHE  38 -14.066   4.674  -2.411
 1093    HZ   PHE  38           HZ       PHE  38 -12.245   3.141  -3.037
 1094    H    LYS  39           HN       LYS  39 -19.319   2.427   0.560
 1095    HA   LYS  39           HA       LYS  39 -19.255   4.952  -0.613
 1096   1HB   LYS  39          HB2       LYS  39 -21.503   3.852   1.053
 1097   2HB   LYS  39          HB1       LYS  39 -21.623   5.021  -0.256
 1098   1HG   LYS  39          HG2       LYS  39 -20.327   2.651  -1.166
 1099   2HG   LYS  39          HG1       LYS  39 -21.859   2.235  -0.393
 1100   1HD   LYS  39          HD2       LYS  39 -21.490   4.249  -2.611
 1101   2HD   LYS  39          HD1       LYS  39 -22.151   2.623  -2.783
 1102   1HE   LYS  39          HE2       LYS  39 -23.343   4.827  -1.105
 1103   2HE   LYS  39          HE1       LYS  39 -23.909   4.335  -2.700
 1104   1HZ   LYS  39          HZ1       LYS  39 -25.236   3.342  -0.949
 1105   2HZ   LYS  39          HZ2       LYS  39 -23.863   2.618  -0.277
 1106   3HZ   LYS  39          HZ3       LYS  39 -24.405   2.145  -1.808
 1107    H    GLU  40           HN       GLU  40 -18.820   4.015   2.612
 1108    HA   GLU  40           HA       GLU  40 -19.401   6.599   3.732
 1109   1HB   GLU  40          HB2       GLU  40 -18.867   5.663   5.802
 1110   2HB   GLU  40          HB1       GLU  40 -19.438   4.259   4.908
 1111   1HG   GLU  40          HG2       GLU  40 -16.811   4.175   4.320
 1112   2HG   GLU  40          HG1       GLU  40 -16.755   4.897   5.928
 1113    H    LEU  41           HN       LEU  41 -17.026   5.583   1.666
 1114    HA   LEU  41           HA       LEU  41 -14.769   6.703   3.003
 1115   1HB   LEU  41          HB2       LEU  41 -15.111   5.627   0.223
 1116   2HB   LEU  41          HB1       LEU  41 -13.593   6.228   0.851
 1117    HG   LEU  41           HG       LEU  41 -15.059   3.721   1.524
 1118   1HD1  LEU  41          HD11      LEU  41 -12.532   4.512   0.314
 1119   2HD1  LEU  41          HD12      LEU  41 -13.453   3.016   0.150
 1120   3HD1  LEU  41          HD13      LEU  41 -12.370   3.241   1.524
 1121   1HD2  LEU  41          HD21      LEU  41 -14.640   4.896   3.671
 1122   2HD2  LEU  41          HD22      LEU  41 -12.921   4.931   3.271
 1123   3HD2  LEU  41          HD23      LEU  41 -13.743   3.391   3.508
 1124    H    ALA  42           HN       ALA  42 -15.503   7.363  -0.373
 1125    HA   ALA  42           HA       ALA  42 -14.350   9.818  -0.518
 1126   1HB   ALA  42          HB1       ALA  42 -15.877  10.386  -2.338
 1127   2HB   ALA  42          HB2       ALA  42 -16.939   9.061  -1.852
 1128   3HB   ALA  42          HB3       ALA  42 -15.316   8.723  -2.455
 1129    H    THR  43           HN       THR  43 -17.426   9.069   0.763
 1130    HA   THR  43           HA       THR  43 -18.556  11.573   1.039
 1131    HB   THR  43           HB       THR  43 -19.651  10.367   3.136
 1132    HG1  THR  43           HG1      THR  43 -18.682   8.139   1.621
 1133   1HG2  THR  43          HG21      THR  43 -20.056   9.521   0.270
 1134   2HG2  THR  43          HG22      THR  43 -20.829  10.884   1.073
 1135   3HG2  THR  43          HG23      THR  43 -21.202   9.235   1.576
 1136    H    GLN  44           HN       GLN  44 -16.959   9.693   3.598
 1137    HA   GLN  44           HA       GLN  44 -16.571  12.038   5.251
 1138   1HB   GLN  44          HB2       GLN  44 -17.101  10.010   6.387
 1139   2HB   GLN  44          HB1       GLN  44 -15.877   9.101   5.496
 1140   1HG   GLN  44          HG2       GLN  44 -14.120  10.253   6.692
 1141   2HG   GLN  44          HG1       GLN  44 -15.297  11.288   7.499
 1142   1HE2  GLN  44          HE21      GLN  44 -13.920   8.106   7.317
 1143   2HE2  GLN  44          HE22      GLN  44 -14.562   7.520   8.810
 1144    H    GLN  45           HN       GLN  45 -14.662  10.017   3.150
 1145    HA   GLN  45           HA       GLN  45 -12.109  11.018   3.856
 1146   1HB   GLN  45          HB2       GLN  45 -13.129   9.754   1.328
 1147   2HB   GLN  45          HB1       GLN  45 -11.427   9.954   1.746
 1148   1HG   GLN  45          HG2       GLN  45 -12.062   8.599   3.850
 1149   2HG   GLN  45          HG1       GLN  45 -13.478   8.146   2.918
 1150   1HE2  GLN  45          HE21      GLN  45 -11.775   8.332   0.405
 1151   2HE2  GLN  45          HE22      GLN  45 -10.869   6.871   0.395
 1152    H    LEU  46           HN       LEU  46 -14.720  12.095   1.819
 1153    HA   LEU  46           HA       LEU  46 -13.690  13.703  -0.046
 1154   1HB   LEU  46          HB2       LEU  46 -16.092  13.861   1.588
 1155   2HB   LEU  46          HB1       LEU  46 -15.500  15.453   1.173
 1156    HG   LEU  46           HG       LEU  46 -16.525  13.313  -0.667
 1157   1HD1  LEU  46          HD11      LEU  46 -18.142  14.861   0.205
 1158   2HD1  LEU  46          HD12      LEU  46 -17.868  15.190  -1.506
 1159   3HD1  LEU  46          HD13      LEU  46 -17.141  16.229  -0.280
 1160   1HD2  LEU  46          HD21      LEU  46 -14.530  13.910  -1.777
 1161   2HD2  LEU  46          HD22      LEU  46 -14.707  15.610  -1.341
 1162   3HD2  LEU  46          HD23      LEU  46 -15.798  14.885  -2.522
 1163    HA   PRO  47           HA       PRO  47 -12.214  17.123   2.726
 1164   1HB   PRO  47          HB2       PRO  47 -12.986  17.453   5.257
 1165   2HB   PRO  47          HB1       PRO  47 -14.040  17.949   3.928
 1166   1HG   PRO  47          HG2       PRO  47 -14.132  15.475   5.615
 1167   2HG   PRO  47          HG1       PRO  47 -15.468  16.510   5.077
 1168   1HD   PRO  47          HD2       PRO  47 -14.760  14.146   3.863
 1169   2HD   PRO  47          HD1       PRO  47 -15.597  15.480   3.046
 1170    H    HIS  48           HN       HIS  48 -10.449  15.840   2.508
 1171    HA   HIS  48           HA       HIS  48  -9.362  14.610   4.909
 1172   1HB   HIS  48          HB2       HIS  48  -9.226  14.220   2.082
 1173   2HB   HIS  48          HB1       HIS  48  -7.590  14.414   2.751
 1174    HD1  HIS  48           HD1      HIS  48  -7.245  12.872   5.083
 1175    HD2  HIS  48           HD2      HIS  48 -10.017  11.578   2.275
 1176    HE1  HIS  48           HE1      HIS  48  -7.687  10.458   5.631
 1177    HE2  HIS  48           HE2      HIS  48  -9.453   9.734   3.991
 1178    H    LEU  49           HN       LEU  49  -6.643  15.039   4.293
 1179    HA   LEU  49           HA       LEU  49  -6.341  17.814   5.018
 1180   1HB   LEU  49          HB2       LEU  49  -4.835  16.254   6.079
 1181   2HB   LEU  49          HB1       LEU  49  -4.336  15.601   4.531
 1182    HG   LEU  49           HG       LEU  49  -3.256  17.758   3.986
 1183   1HD1  LEU  49          HD11      LEU  49  -4.031  18.500   6.802
 1184   2HD1  LEU  49          HD12      LEU  49  -4.648  19.230   5.320
 1185   3HD1  LEU  49          HD13      LEU  49  -2.950  19.422   5.757
 1186   1HD2  LEU  49          HD21      LEU  49  -1.376  17.528   5.513
 1187   2HD2  LEU  49          HD22      LEU  49  -1.968  15.944   5.014
 1188   3HD2  LEU  49          HD23      LEU  49  -2.367  16.570   6.614
 1189    H    LEU  50           HN       LEU  50  -4.369  16.068   2.662
 1190    HA   LEU  50           HA       LEU  50  -4.595  18.256   0.760
 1191   1HB   LEU  50          HB2       LEU  50  -2.411  17.157   1.206
 1192   2HB   LEU  50          HB1       LEU  50  -3.058  15.657   0.575
 1193    HG   LEU  50           HG       LEU  50  -3.316  16.688  -1.638
 1194   1HD1  LEU  50          HD11      LEU  50  -2.325  18.897  -2.068
 1195   2HD1  LEU  50          HD12      LEU  50  -2.073  19.102  -0.335
 1196   3HD1  LEU  50          HD13      LEU  50  -3.710  18.980  -0.979
 1197   1HD2  LEU  50          HD21      LEU  50  -1.244  15.521  -1.098
 1198   2HD2  LEU  50          HD22      LEU  50  -0.557  17.019  -0.468
 1199   3HD2  LEU  50          HD23      LEU  50  -0.942  16.879  -2.183
 1200    H    LYS  51           HN       LYS  51  -7.052  17.315   1.005
 1201    HA   LYS  51           HA       LYS  51  -7.986  15.105  -0.098
 1202   1HB   LYS  51          HB2       LYS  51  -9.529  16.483   0.845
 1203   2HB   LYS  51          HB1       LYS  51  -9.060  17.877  -0.124
 1204   1HG   LYS  51          HG2       LYS  51 -10.017  16.595  -2.114
 1205   2HG   LYS  51          HG1       LYS  51 -10.755  15.501  -0.933
 1206   1HD   LYS  51          HD2       LYS  51 -11.266  18.426  -1.460
 1207   2HD   LYS  51          HD1       LYS  51 -12.414  17.091  -1.443
 1208   1HE   LYS  51          HE2       LYS  51 -12.910  17.565   0.659
 1209   2HE   LYS  51          HE1       LYS  51 -11.243  17.221   1.128
 1210   1HZ   LYS  51          HZ1       LYS  51 -10.685  19.533   0.638
 1211   2HZ   LYS  51          HZ2       LYS  51 -11.912  19.444   1.800
 1212   3HZ   LYS  51          HZ3       LYS  51 -12.290  19.850   0.202
 1213    H    ASP  52           HN       ASP  52  -9.057  14.570  -2.037
 1214    HA   ASP  52           HA       ASP  52  -7.616  15.497  -4.434
 1215   1HB   ASP  52          HB2       ASP  52  -7.149  13.148  -3.854
 1216   2HB   ASP  52          HB1       ASP  52  -8.875  12.793  -3.896
 1217    H    VAL  53           HN       VAL  53 -10.671  14.985  -2.922
 1218    HA   VAL  53           HA       VAL  53 -12.693  15.867  -3.329
 1219    HB   VAL  53           HB       VAL  53 -11.508  16.752  -5.921
 1220   1HG1  VAL  53          HG11      VAL  53 -13.889  16.499  -6.223
 1221   2HG1  VAL  53          HG12      VAL  53 -13.498  18.214  -6.114
 1222   3HG1  VAL  53          HG13      VAL  53 -14.195  17.379  -4.726
 1223   1HG2  VAL  53          HG21      VAL  53 -11.570  18.986  -4.880
 1224   2HG2  VAL  53          HG22      VAL  53 -10.513  17.858  -4.030
 1225   3HG2  VAL  53          HG23      VAL  53 -12.109  18.232  -3.380
 1226    H    GLY  54           HN       GLY  54 -13.119  13.621  -3.221
 1227   1HA   GLY  54          HA2       GLY  54 -13.399  11.877  -5.375
 1228   2HA   GLY  54          HA1       GLY  54 -14.369  11.804  -3.913
 1229    H    SER  55           HN       SER  55 -14.206  12.870  -7.210
 1230    HA   SER  55           HA       SER  55 -16.511  14.420  -7.382
 1231   1HB   SER  55          HB2       SER  55 -14.729  14.084  -9.130
 1232   2HB   SER  55          HB1       SER  55 -15.504  12.550  -9.526
 1233    HG   SER  55           HG       SER  55 -16.712  15.119  -9.648
 1234    H    LEU  56           HN       LEU  56 -18.637  13.950  -8.015
 1235    HA   LEU  56           HA       LEU  56 -19.956  11.965  -6.709
 1236   1HB   LEU  56          HB2       LEU  56 -21.064  13.879  -7.745
 1237   2HB   LEU  56          HB1       LEU  56 -20.758  13.210  -9.336
 1238    HG   LEU  56           HG       LEU  56 -22.211  11.283  -8.782
 1239   1HD1  LEU  56          HD11      LEU  56 -23.639  11.398  -6.800
 1240   2HD1  LEU  56          HD12      LEU  56 -22.775  12.839  -6.262
 1241   3HD1  LEU  56          HD13      LEU  56 -21.933  11.293  -6.365
 1242   1HD2  LEU  56          HD21      LEU  56 -24.331  12.512  -8.874
 1243   2HD2  LEU  56          HD22      LEU  56 -23.132  13.188  -9.975
 1244   3HD2  LEU  56          HD23      LEU  56 -23.483  13.998  -8.447
 1245    H    ASP  57           HN       ASP  57 -19.812  11.778 -10.253
 1246    HA   ASP  57           HA       ASP  57 -20.426   9.109 -10.458
 1247   1HB   ASP  57          HB2       ASP  57 -19.005  11.016 -12.226
 1248   2HB   ASP  57          HB1       ASP  57 -18.905   9.298 -12.605
 1249    H    GLU  58           HN       GLU  58 -17.367  10.607 -10.046
 1250    HA   GLU  58           HA       GLU  58 -15.652   8.467 -10.488
 1251   1HB   GLU  58          HB2       GLU  58 -14.888  10.801 -10.105
 1252   2HB   GLU  58          HB1       GLU  58 -15.328  10.645  -8.406
 1253   1HG   GLU  58          HG2       GLU  58 -13.692   8.840  -8.161
 1254   2HG   GLU  58          HG1       GLU  58 -13.242   9.025  -9.856
 1255    H    LYS  59           HN       LYS  59 -17.568   9.402  -7.730
 1256    HA   LYS  59           HA       LYS  59 -16.546   7.338  -6.073
 1257   1HB   LYS  59          HB2       LYS  59 -18.893   9.171  -5.719
 1258   2HB   LYS  59          HB1       LYS  59 -18.369   7.996  -4.518
 1259   1HG   LYS  59          HG2       LYS  59 -16.333   9.127  -4.151
 1260   2HG   LYS  59          HG1       LYS  59 -16.538  10.131  -5.585
 1261   1HD   LYS  59          HD2       LYS  59 -18.104  10.259  -3.012
 1262   2HD   LYS  59          HD1       LYS  59 -16.953  11.444  -3.621
 1263   1HE   LYS  59          HE2       LYS  59 -18.434  11.849  -5.543
 1264   2HE   LYS  59          HE1       LYS  59 -19.606  10.726  -4.857
 1265   1HZ   LYS  59          HZ1       LYS  59 -20.189  12.989  -4.321
 1266   2HZ   LYS  59          HZ2       LYS  59 -18.676  13.257  -3.614
 1267   3HZ   LYS  59          HZ3       LYS  59 -19.758  12.166  -2.907
 1268    H    MET  60           HN       MET  60 -19.050   7.570  -8.390
 1269    HA   MET  60           HA       MET  60 -20.510   5.289  -7.370
 1270   1HB   MET  60          HB2       MET  60 -20.759   6.812  -9.968
 1271   2HB   MET  60          HB1       MET  60 -21.849   5.531  -9.451
 1272   1HG   MET  60          HG2       MET  60 -22.451   6.871  -7.480
 1273   2HG   MET  60          HG1       MET  60 -21.405   8.164  -8.061
 1274   1HE   MET  60          HE1       MET  60 -24.704   6.120  -8.685
 1275   2HE   MET  60          HE2       MET  60 -23.734   5.763 -10.114
 1276   3HE   MET  60          HE3       MET  60 -25.199   6.734 -10.263
 1277    H    LYS  61           HN       LYS  61 -18.336   5.928 -10.080
 1278    HA   LYS  61           HA       LYS  61 -18.472   3.300 -11.151
 1279   1HB   LYS  61          HB2       LYS  61 -17.795   4.961 -12.629
 1280   2HB   LYS  61          HB1       LYS  61 -16.611   5.625 -11.513
 1281   1HG   LYS  61          HG2       LYS  61 -15.288   3.540 -11.805
 1282   2HG   LYS  61          HG1       LYS  61 -16.428   3.050 -13.061
 1283   1HD   LYS  61          HD2       LYS  61 -14.674   5.507 -13.070
 1284   2HD   LYS  61          HD1       LYS  61 -14.492   4.076 -14.086
 1285   1HE   LYS  61          HE2       LYS  61 -16.807   6.007 -14.117
 1286   2HE   LYS  61          HE1       LYS  61 -15.536   5.884 -15.332
 1287   1HZ   LYS  61          HZ1       LYS  61 -16.281   3.624 -15.810
 1288   2HZ   LYS  61          HZ2       LYS  61 -17.521   4.747 -16.061
 1289   3HZ   LYS  61          HZ3       LYS  61 -17.525   3.780 -14.673
 1290    H    THR  62           HN       THR  62 -16.124   4.925  -9.052
 1291    HA   THR  62           HA       THR  62 -14.214   2.979  -8.863
 1292    HB   THR  62           HB       THR  62 -15.203   4.752  -6.636
 1293    HG1  THR  62           HG1      THR  62 -14.395   5.718  -8.641
 1294   1HG2  THR  62          HG21      THR  62 -12.901   4.444  -5.724
 1295   2HG2  THR  62          HG22      THR  62 -12.649   3.182  -6.928
 1296   3HG2  THR  62          HG23      THR  62 -13.881   2.978  -5.685
 1297    H    LEU  63           HN       LEU  63 -17.435   2.887  -7.579
 1298    HA   LEU  63           HA       LEU  63 -17.159   1.015  -5.545
 1299   1HB   LEU  63          HB2       LEU  63 -19.323   1.701  -7.452
 1300   2HB   LEU  63          HB1       LEU  63 -19.517   0.262  -6.477
 1301    HG   LEU  63           HG       LEU  63 -18.827   2.212  -4.630
 1302   1HD1  LEU  63          HD11      LEU  63 -19.923   4.175  -5.081
 1303   2HD1  LEU  63          HD12      LEU  63 -20.988   3.431  -6.273
 1304   3HD1  LEU  63          HD13      LEU  63 -19.304   3.753  -6.678
 1305   1HD2  LEU  63          HD21      LEU  63 -21.564   2.144  -4.560
 1306   2HD2  LEU  63          HD22      LEU  63 -20.494   0.970  -3.796
 1307   3HD2  LEU  63          HD23      LEU  63 -21.166   0.642  -5.393
 1308    H    ASP  64           HN       ASP  64 -18.611   0.098  -8.631
 1309    HA   ASP  64           HA       ASP  64 -18.105  -2.601  -8.499
 1310   1HB   ASP  64          HB2       ASP  64 -18.183  -0.874 -10.970
 1311   2HB   ASP  64          HB1       ASP  64 -18.341  -2.629 -10.961
 1312    H    VAL  65           HN       VAL  65 -15.893  -0.044  -9.265
 1313    HA   VAL  65           HA       VAL  65 -13.897  -1.722 -10.460
 1314    HB   VAL  65           HB       VAL  65 -13.663   1.054  -9.275
 1315   1HG1  VAL  65          HG11      VAL  65 -11.502  -0.067  -9.310
 1316   2HG1  VAL  65          HG12      VAL  65 -11.561   1.210 -10.525
 1317   3HG1  VAL  65          HG13      VAL  65 -11.729  -0.477 -11.010
 1318   1HG2  VAL  65          HG21      VAL  65 -13.690   1.802 -11.613
 1319   2HG2  VAL  65          HG22      VAL  65 -15.182   0.970 -11.171
 1320   3HG2  VAL  65          HG23      VAL  65 -13.960   0.138 -12.133
 1321    H    ASN  66           HN       ASN  66 -13.625   0.240  -7.516
 1322    HA   ASN  66           HA       ASN  66 -11.814  -1.657  -6.308
 1323   1HB   ASN  66          HB2       ASN  66 -13.036   0.933  -5.362
 1324   2HB   ASN  66          HB1       ASN  66 -11.942  -0.044  -4.378
 1325   1HD2  ASN  66          HD21      ASN  66 -10.121  -0.843  -6.353
 1326   2HD2  ASN  66          HD22      ASN  66  -9.248   0.544  -6.888
 1327    H    GLN  67           HN       GLN  67 -14.116  -3.040  -6.681
 1328    HA   GLN  67           HA       GLN  67 -15.868  -2.755  -4.446
 1329   1HB   GLN  67          HB2       GLN  67 -17.115  -4.499  -5.351
 1330   2HB   GLN  67          HB1       GLN  67 -16.461  -3.655  -6.737
 1331   1HG   GLN  67          HG2       GLN  67 -15.364  -6.217  -5.614
 1332   2HG   GLN  67          HG1       GLN  67 -16.479  -6.080  -6.971
 1333   1HE2  GLN  67          HE21      GLN  67 -13.570  -7.007  -6.603
 1334   2HE2  GLN  67          HE22      GLN  67 -12.738  -6.197  -7.886
 1335    H    ASP  68           HN       ASP  68 -13.475  -5.192  -5.350
 1336    HA   ASP  68           HA       ASP  68 -13.656  -6.359  -2.727
 1337   1HB   ASP  68          HB2       ASP  68 -12.236  -7.218  -5.227
 1338   2HB   ASP  68          HB1       ASP  68 -12.041  -8.023  -3.674
 1339    H    SER  69           HN       SER  69 -12.439  -3.653  -3.376
 1340    HA   SER  69           HA       SER  69  -9.747  -3.460  -3.330
 1341   1HB   SER  69          HB2       SER  69 -10.737  -1.375  -3.147
 1342   2HB   SER  69          HB1       SER  69 -11.903  -1.918  -1.941
 1343    HG   SER  69           HG       SER  69 -10.496  -1.538  -0.380
 1344    H    GLU  70           HN       GLU  70 -11.822  -4.555  -0.789
 1345    HA   GLU  70           HA       GLU  70  -9.467  -5.327   0.806
 1346   1HB   GLU  70          HB2       GLU  70 -10.722  -4.256   2.392
 1347   2HB   GLU  70          HB1       GLU  70 -12.202  -4.515   1.502
 1348   1HG   GLU  70          HG2       GLU  70 -12.344  -5.740   3.576
 1349   2HG   GLU  70          HG1       GLU  70 -12.215  -6.886   2.251
 1350    H    LEU  71           HN       LEU  71  -9.384  -7.501   1.477
 1351    HA   LEU  71           HA       LEU  71 -11.438  -9.200   0.375
 1352   1HB   LEU  71          HB2       LEU  71 -10.024  -9.036  -1.358
 1353   2HB   LEU  71          HB1       LEU  71  -8.601  -8.967  -0.355
 1354    HG   LEU  71           HG       LEU  71  -8.835 -10.912  -1.642
 1355   1HD1  LEU  71          HD11      LEU  71  -8.911 -12.398   0.680
 1356   2HD1  LEU  71          HD12      LEU  71  -8.135 -10.867   1.031
 1357   3HD1  LEU  71          HD13      LEU  71  -7.516 -11.899  -0.249
 1358   1HD2  LEU  71          HD21      LEU  71 -10.534 -12.575  -0.892
 1359   2HD2  LEU  71          HD22      LEU  71 -11.009 -11.290  -1.947
 1360   3HD2  LEU  71          HD23      LEU  71 -11.343 -11.178  -0.253
 1361    H    ARG  72           HN       ARG  72 -11.683 -11.181   1.334
 1362    HA   ARG  72           HA       ARG  72 -10.042 -11.763   3.683
 1363   1HB   ARG  72          HB2       ARG  72 -12.643 -13.123   3.219
 1364   2HB   ARG  72          HB1       ARG  72 -11.911 -12.619   4.732
 1365   1HG   ARG  72          HG2       ARG  72 -13.559 -11.051   2.801
 1366   2HG   ARG  72          HG1       ARG  72 -13.767 -11.249   4.538
 1367   1HD   ARG  72          HD2       ARG  72 -12.034  -9.385   3.004
 1368   2HD   ARG  72          HD1       ARG  72 -12.966  -9.125   4.479
 1369    HE   ARG  72           HE       ARG  72 -10.235  -9.962   4.321
 1370   1HH1  ARG  72          HH11      ARG  72 -13.132 -10.061   6.249
 1371   2HH1  ARG  72          HH12      ARG  72 -12.286 -10.290   7.742
 1372   1HH2  ARG  72          HH21      ARG  72  -9.108 -10.262   6.284
 1373   2HH2  ARG  72          HH22      ARG  72 -10.000 -10.404   7.763
 1374    H    PHE  73           HN       PHE  73 -11.392 -12.966   0.691
 1375    HA   PHE  73           HA       PHE  73  -9.946 -15.453   0.938
 1376   1HB   PHE  73          HB2       PHE  73 -11.336 -16.393  -0.698
 1377   2HB   PHE  73          HB1       PHE  73 -12.350 -15.365   0.267
 1378    HD1  PHE  73           HD1      PHE  73 -11.808 -16.452  -2.921
 1379    HD2  PHE  73           HD2      PHE  73 -12.575 -12.865  -0.792
 1380    HE1  PHE  73           HE1      PHE  73 -12.710 -15.413  -4.959
 1381    HE2  PHE  73           HE2      PHE  73 -13.431 -11.814  -2.780
 1382    HZ   PHE  73           HZ       PHE  73 -13.536 -13.093  -4.901
 1383    H    SER  74           HN       SER  74 -10.249 -13.865  -2.318
 1384    HA   SER  74           HA       SER  74  -7.332 -14.111  -2.376
 1385   1HB   SER  74          HB2       SER  74  -7.750 -14.564  -4.947
 1386   2HB   SER  74          HB1       SER  74  -7.719 -15.871  -3.767
 1387    HG   SER  74           HG       SER  74  -9.925 -14.662  -5.030
 1388    H    GLU  75           HN       GLU  75  -9.978 -12.207  -3.149
 1389    HA   GLU  75           HA       GLU  75  -8.937 -10.524  -5.126
 1390   1HB   GLU  75          HB2       GLU  75 -10.874  -9.811  -2.941
 1391   2HB   GLU  75          HB1       GLU  75 -10.705  -9.025  -4.499
 1392   1HG   GLU  75          HG2       GLU  75 -11.431 -11.897  -4.308
 1393   2HG   GLU  75          HG1       GLU  75 -12.646 -10.635  -4.122
 1394    H    TYR  76           HN       TYR  76  -7.150 -10.878  -2.546
 1395    HA   TYR  76           HA       TYR  76  -7.085  -8.415  -1.293
 1396   1HB   TYR  76          HB2       TYR  76  -5.533 -10.860  -1.228
 1397   2HB   TYR  76          HB1       TYR  76  -4.538  -9.436  -0.958
 1398    HD1  TYR  76           HD1      TYR  76  -5.073 -11.720   0.952
 1399    HD2  TYR  76           HD2      TYR  76  -6.981  -7.960   0.442
 1400    HE1  TYR  76           HE1      TYR  76  -5.839 -11.779   3.280
 1401    HE2  TYR  76           HE2      TYR  76  -7.740  -7.999   2.725
 1402    HH   TYR  76           HH       TYR  76  -8.157  -9.617   4.521
 1403    H    TRP  77           HN       TRP  77  -5.692  -9.630  -4.168
 1404    HA   TRP  77           HA       TRP  77  -3.691  -7.719  -4.669
 1405   1HB   TRP  77          HB2       TRP  77  -4.067  -8.219  -7.040
 1406   2HB   TRP  77          HB1       TRP  77  -4.147  -9.713  -6.103
 1407    HD1  TRP  77           HD1      TRP  77  -6.702  -7.054  -7.314
 1408    HE1  TRP  77           HE1      TRP  77  -8.802  -8.291  -8.094
 1409    HE3  TRP  77           HE3      TRP  77  -5.271 -11.839  -6.265
 1410    HZ2  TRP  77           HZ2      TRP  77  -9.758 -10.953  -8.237
 1411    HZ3  TRP  77           HZ3      TRP  77  -6.838 -13.675  -6.735
 1412    HH2  TRP  77           HH2      TRP  77  -9.034 -13.239  -7.697
 1413    H    ARG  78           HN       ARG  78  -7.143  -7.426  -4.477
 1414    HA   ARG  78           HA       ARG  78  -7.436  -5.124  -6.003
 1415   1HB   ARG  78          HB2       ARG  78  -9.075  -6.143  -3.687
 1416   2HB   ARG  78          HB1       ARG  78  -9.588  -4.844  -4.770
 1417   1HG   ARG  78          HG2       ARG  78  -8.813  -7.482  -5.913
 1418   2HG   ARG  78          HG1       ARG  78 -10.374  -7.295  -5.127
 1419   1HD   ARG  78          HD2       ARG  78 -10.653  -6.902  -7.472
 1420   2HD   ARG  78          HD1       ARG  78 -10.848  -5.375  -6.616
 1421    HE   ARG  78           HE       ARG  78  -8.186  -5.864  -7.609
 1422   1HH1  ARG  78          HH11      ARG  78 -11.327  -4.531  -8.302
 1423   2HH1  ARG  78          HH12      ARG  78 -10.741  -3.454  -9.525
 1424   1HH2  ARG  78          HH21      ARG  78  -7.404  -4.450  -9.214
 1425   2HH2  ARG  78          HH22      ARG  78  -8.511  -3.407 -10.044
 1426    H    LEU  79           HN       LEU  79  -6.224  -5.694  -2.792
 1427    HA   LEU  79           HA       LEU  79  -6.425  -2.946  -1.963
 1428   1HB   LEU  79          HB2       LEU  79  -4.370  -4.509  -0.634
 1429   2HB   LEU  79          HB1       LEU  79  -5.690  -3.611   0.063
 1430    HG   LEU  79           HG       LEU  79  -6.614  -6.133  -1.081
 1431   1HD1  LEU  79          HD11      LEU  79  -5.188  -6.928   1.245
 1432   2HD1  LEU  79          HD12      LEU  79  -4.040  -6.195   0.138
 1433   3HD1  LEU  79          HD13      LEU  79  -5.030  -7.542  -0.395
 1434   1HD2  LEU  79          HD21      LEU  79  -7.612  -4.528   0.701
 1435   2HD2  LEU  79          HD22      LEU  79  -6.536  -5.366   1.815
 1436   3HD2  LEU  79          HD23      LEU  79  -7.768  -6.267   0.933
 1437    H    ILE  80           HN       ILE  80  -4.389  -4.776  -3.960
 1438    HA   ILE  80           HA       ILE  80  -1.886  -3.810  -3.552
 1439    HB   ILE  80           HB       ILE  80  -2.842  -5.496  -5.324
 1440   1HG1  ILE  80          HG12      ILE  80  -0.464  -3.703  -5.917
 1441   2HG1  ILE  80          HG11      ILE  80  -0.462  -5.102  -4.848
 1442   1HG2  ILE  80          HG21      ILE  80  -4.129  -3.886  -6.633
 1443   2HG2  ILE  80          HG22      ILE  80  -2.853  -4.604  -7.611
 1444   3HG2  ILE  80          HG23      ILE  80  -2.666  -2.968  -6.982
 1445   1HD1  ILE  80          HD11      ILE  80  -1.006  -5.172  -7.806
 1446   2HD1  ILE  80          HD12      ILE  80  -0.927  -6.563  -6.723
 1447   3HD1  ILE  80          HD13      ILE  80   0.518  -5.599  -7.028
 1448    H    GLY  81           HN       GLY  81  -4.340  -2.251  -5.652
 1449   1HA   GLY  81          HA2       GLY  81  -2.713   0.146  -5.845
 1450   2HA   GLY  81          HA1       GLY  81  -4.278  -0.119  -6.599
 1451    H    GLU  82           HN       GLU  82  -4.679  -1.018  -3.453
 1452    HA   GLU  82           HA       GLU  82  -6.144   1.358  -2.841
 1453   1HB   GLU  82          HB2       GLU  82  -5.691  -1.172  -1.371
 1454   2HB   GLU  82          HB1       GLU  82  -6.710   0.118  -0.759
 1455   1HG   GLU  82          HG2       GLU  82  -7.133  -1.335  -3.347
 1456   2HG   GLU  82          HG1       GLU  82  -8.000  -1.662  -1.854
 1457    H    LEU  83           HN       LEU  83  -3.529  -0.420  -1.235
 1458    HA   LEU  83           HA       LEU  83  -3.106   1.476   0.775
 1459   1HB   LEU  83          HB2       LEU  83  -1.205  -0.490  -0.499
 1460   2HB   LEU  83          HB1       LEU  83  -0.774   0.524   0.868
 1461    HG   LEU  83           HG       LEU  83  -2.698  -0.527   2.127
 1462   1HD1  LEU  83          HD11      LEU  83  -2.673  -2.318  -0.289
 1463   2HD1  LEU  83          HD12      LEU  83  -4.027  -1.399   0.370
 1464   3HD1  LEU  83          HD13      LEU  83  -3.382  -2.778   1.259
 1465   1HD2  LEU  83          HD21      LEU  83  -0.337  -2.138   1.209
 1466   2HD2  LEU  83          HD22      LEU  83  -1.440  -2.702   2.458
 1467   3HD2  LEU  83          HD23      LEU  83  -0.518  -1.217   2.700
 1468    H    ALA  84           HN       ALA  84  -2.530   1.599  -2.584
 1469    HA   ALA  84           HA       ALA  84  -0.544   3.627  -2.414
 1470   1HB   ALA  84          HB1       ALA  84  -0.467   2.468  -4.416
 1471   2HB   ALA  84          HB2       ALA  84  -1.280   3.963  -4.880
 1472   3HB   ALA  84          HB3       ALA  84  -2.217   2.497  -4.609
 1473    H    LYS  85           HN       LYS  85  -4.078   3.586  -2.674
 1474    HA   LYS  85           HA       LYS  85  -4.726   6.135  -3.388
 1475   1HB   LYS  85          HB2       LYS  85  -5.953   4.246  -1.464
 1476   2HB   LYS  85          HB1       LYS  85  -6.526   5.904  -1.470
 1477   1HG   LYS  85          HG2       LYS  85  -7.581   5.676  -3.442
 1478   2HG   LYS  85          HG1       LYS  85  -6.324   4.641  -4.116
 1479   1HD   LYS  85          HD2       LYS  85  -8.685   3.656  -3.671
 1480   2HD   LYS  85          HD1       LYS  85  -7.268   2.716  -3.243
 1481   1HE   LYS  85          HE2       LYS  85  -8.178   4.477  -1.109
 1482   2HE   LYS  85          HE1       LYS  85  -9.379   3.271  -1.578
 1483   1HZ   LYS  85          HZ1       LYS  85  -8.055   1.568  -0.875
 1484   2HZ   LYS  85          HZ2       LYS  85  -7.570   2.764   0.219
 1485   3HZ   LYS  85          HZ3       LYS  85  -6.618   2.417  -1.131
 1486    H    GLU  86           HN       GLU  86  -3.298   5.117  -0.466
 1487    HA   GLU  86           HA       GLU  86  -3.500   7.707   0.785
 1488   1HB   GLU  86          HB2       GLU  86  -2.002   6.630   2.533
 1489   2HB   GLU  86          HB1       GLU  86  -3.568   5.864   2.300
 1490   1HG   GLU  86          HG2       GLU  86  -2.547   4.136   0.964
 1491   2HG   GLU  86          HG1       GLU  86  -0.985   4.937   1.083
 1492    H    VAL  87           HN       VAL  87  -1.023   5.747  -0.775
 1493    HA   VAL  87           HA       VAL  87   1.048   7.683  -0.314
 1494    HB   VAL  87           HB       VAL  87   1.016   5.086  -1.843
 1495   1HG1  VAL  87          HG11      VAL  87   3.271   7.038  -1.452
 1496   2HG1  VAL  87          HG12      VAL  87   2.595   6.467  -2.978
 1497   3HG1  VAL  87          HG13      VAL  87   3.487   5.363  -1.941
 1498   1HG2  VAL  87          HG21      VAL  87   0.909   4.825   0.543
 1499   2HG2  VAL  87          HG22      VAL  87   2.245   5.955   0.767
 1500   3HG2  VAL  87          HG23      VAL  87   2.529   4.395  -0.008
 1501    H    ARG  88           HN       ARG  88  -1.441   7.599  -2.529
 1502    HA   ARG  88           HA       ARG  88   0.017   8.422  -4.856
 1503   1HB   ARG  88          HB2       ARG  88  -2.189   7.269  -4.935
 1504   2HB   ARG  88          HB1       ARG  88  -2.932   8.726  -4.288
 1505   1HG   ARG  88          HG2       ARG  88  -2.273   9.980  -6.243
 1506   2HG   ARG  88          HG1       ARG  88  -1.413   8.579  -6.883
 1507   1HD   ARG  88          HD2       ARG  88  -3.536   7.343  -6.976
 1508   2HD   ARG  88          HD1       ARG  88  -4.381   8.771  -6.379
 1509    HE   ARG  88           HE       ARG  88  -2.984   9.555  -8.638
 1510   1HH1  ARG  88          HH11      ARG  88  -5.533   7.322  -7.832
 1511   2HH1  ARG  88          HH12      ARG  88  -6.294   7.431  -9.384
 1512   1HH2  ARG  88          HH21      ARG  88  -3.977   9.704 -10.684
 1513   2HH2  ARG  88          HH22      ARG  88  -5.410   8.785 -11.006
 1514    H    LYS  89           HN       LYS  89  -2.081  10.172  -2.590
 1515    HA   LYS  89           HA       LYS  89  -1.394  12.710  -3.804
 1516   1HB   LYS  89          HB2       LYS  89  -2.755  13.673  -1.950
 1517   2HB   LYS  89          HB1       LYS  89  -3.619  12.554  -2.974
 1518   1HG   LYS  89          HG2       LYS  89  -2.333  11.543  -0.447
 1519   2HG   LYS  89          HG1       LYS  89  -3.849  12.473  -0.366
 1520   1HD   LYS  89          HD2       LYS  89  -3.408   9.706  -1.064
 1521   2HD   LYS  89          HD1       LYS  89  -4.888  10.527  -0.614
 1522   1HE   LYS  89          HE2       LYS  89  -3.724  10.363  -3.406
 1523   2HE   LYS  89          HE1       LYS  89  -5.079   9.435  -2.797
 1524   1HZ   LYS  89          HZ1       LYS  89  -6.450  11.085  -3.264
 1525   2HZ   LYS  89          HZ2       LYS  89  -5.180  11.840  -4.084
 1526   3HZ   LYS  89          HZ3       LYS  89  -5.487  12.232  -2.469
 1527    H    GLU  90           HN       GLU  90  -0.646  10.812  -1.025
 1528    HA   GLU  90           HA       GLU  90   0.711  12.683   0.514
 1529   1HB   GLU  90          HB2       GLU  90   0.807   9.715   0.208
 1530   2HB   GLU  90          HB1       GLU  90   1.893  10.527   1.341
 1531   1HG   GLU  90          HG2       GLU  90  -0.101  11.531   2.414
 1532   2HG   GLU  90          HG1       GLU  90  -1.119  10.586   1.313
 1533    H    LYS  91           HN       LYS  91   1.532  11.261  -2.499
 1534    HA   LYS  91           HA       LYS  91   4.298  11.285  -2.414
 1535   1HB   LYS  91          HB2       LYS  91   4.274  11.192  -4.751
 1536   2HB   LYS  91          HB1       LYS  91   2.771  10.424  -4.268
 1537   1HG   LYS  91          HG2       LYS  91   1.556  12.488  -4.764
 1538   2HG   LYS  91          HG1       LYS  91   3.069  13.257  -5.247
 1539   1HD   LYS  91          HD2       LYS  91   3.346  11.526  -6.994
 1540   2HD   LYS  91          HD1       LYS  91   1.775  10.859  -6.545
 1541   1HE   LYS  91          HE2       LYS  91   0.704  12.975  -7.125
 1542   2HE   LYS  91          HE1       LYS  91   2.272  13.661  -7.549
 1543   1HZ   LYS  91          HZ1       LYS  91   0.950  11.368  -8.897
 1544   2HZ   LYS  91          HZ2       LYS  91   2.478  11.977  -9.288
 1545   3HZ   LYS  91          HZ3       LYS  91   1.103  12.935  -9.516
 1546    H    ALA  92           HN       ALA  92   2.022  13.830  -3.267
 1547    HA   ALA  92           HA       ALA  92   4.109  15.806  -3.572
 1548   1HB   ALA  92          HB1       ALA  92   2.314  17.364  -4.049
 1549   2HB   ALA  92          HB2       ALA  92   1.118  16.183  -3.516
 1550   3HB   ALA  92          HB3       ALA  92   2.084  15.872  -4.959
 1551    H    LEU  93           HN       LEU  93   2.046  14.748  -0.966
 1552    HA   LEU  93           HA       LEU  93   2.476  17.173   0.539
 1553   1HB   LEU  93          HB2       LEU  93   0.448  15.653   0.787
 1554   2HB   LEU  93          HB1       LEU  93   1.504  14.564   1.675
 1555    HG   LEU  93           HG       LEU  93   1.893  17.102   2.814
 1556   1HD1  LEU  93          HD11      LEU  93  -0.169  17.843   1.743
 1557   2HD1  LEU  93          HD12      LEU  93  -0.362  17.745   3.493
 1558   3HD1  LEU  93          HD13      LEU  93  -1.039  16.487   2.460
 1559   1HD2  LEU  93          HD21      LEU  93   2.016  14.956   3.973
 1560   2HD2  LEU  93          HD22      LEU  93   0.273  14.752   3.799
 1561   3HD2  LEU  93          HD23      LEU  93   0.913  16.060   4.795
 1562    H    GLY  94           HN       GLY  94   3.982  14.076   0.171
 1563   1HA   GLY  94          HA2       GLY  94   5.437  13.699   2.445
 1564   2HA   GLY  94          HA1       GLY  94   6.080  13.387   0.830
 1565    H    ILE  95           HN       ILE  95   6.092  16.012  -0.114
 1566    HA   ILE  95           HA       ILE  95   8.591  16.859   0.875
 1567    HB   ILE  95           HB       ILE  95   8.241  18.833  -0.626
 1568   1HG1  ILE  95          HG12      ILE  95   5.872  17.365  -1.703
 1569   2HG1  ILE  95          HG11      ILE  95   5.647  18.546  -0.417
 1570   1HG2  ILE  95          HG21      ILE  95   7.850  16.125  -1.790
 1571   2HG2  ILE  95          HG22      ILE  95   9.385  16.823  -1.266
 1572   3HG2  ILE  95          HG23      ILE  95   8.508  17.534  -2.626
 1573   1HD1  ILE  95          HD11      ILE  95   5.240  19.508  -2.617
 1574   2HD1  ILE  95          HD12      ILE  95   6.880  19.085  -3.110
 1575   3HD1  ILE  95          HD13      ILE  95   6.621  20.271  -1.831
 1576    H    ARG  96           HN       ARG  96   7.443  16.912   3.143
 1577    HA   ARG  96           HA       ARG  96   6.015  19.236   3.809
 1578   1HB   ARG  96          HB2       ARG  96   7.645  17.279   5.409
 1579   2HB   ARG  96          HB1       ARG  96   6.894  18.686   6.160
 1580   1HG   ARG  96          HG2       ARG  96   5.014  17.527   6.343
 1581   2HG   ARG  96          HG1       ARG  96   4.913  17.512   4.576
 1582   1HD   ARG  96          HD2       ARG  96   6.084  15.443   4.454
 1583   2HD   ARG  96          HD1       ARG  96   6.447  15.478   6.180
 1584    HE   ARG  96           HE       ARG  96   3.674  15.564   5.881
 1585   1HH1  ARG  96          HH11      ARG  96   6.313  13.376   5.275
 1586   2HH1  ARG  96          HH12      ARG  96   5.351  11.950   5.493
 1587   1HH2  ARG  96          HH21      ARG  96   2.399  13.698   6.171
 1588   2HH2  ARG  96          HH22      ARG  96   3.124  12.134   6.004
 1589    H    LYS  97           HN       LYS  97   9.301  18.618   3.053
 1590    HA   LYS  97           HA       LYS  97  10.188  21.111   4.221
 1591   1HB   LYS  97          HB2       LYS  97  12.274  20.152   2.633
 1592   2HB   LYS  97          HB1       LYS  97  12.145  20.023   4.378
 1593   1HG   LYS  97          HG2       LYS  97  11.053  17.968   2.468
 1594   2HG   LYS  97          HG1       LYS  97  12.665  17.886   3.190
 1595   1HD   LYS  97          HD2       LYS  97  11.857  17.422   5.277
 1596   2HD   LYS  97          HD1       LYS  97  10.327  18.255   4.994
 1597   1HE   LYS  97          HE2       LYS  97   9.444  16.464   3.782
 1598   2HE   LYS  97          HE1       LYS  97  11.026  15.730   3.524
 1599   1HZ   LYS  97          HZ1       LYS  97   9.571  15.909   6.113
 1600   2HZ   LYS  97          HZ2       LYS  97  11.117  15.251   5.913
 1601   3HZ   LYS  97          HZ3       LYS  97   9.783  14.512   5.180
 1602    H    LYS  98           HN       LYS  98   8.829  22.458   3.021
 1603    HA   LYS  98           HA       LYS  98   9.408  22.639   0.150
 1604   1HB   LYS  98          HB2       LYS  98   7.170  23.948   1.704
 1605   2HB   LYS  98          HB1       LYS  98   7.347  23.908  -0.043
 1606   1HG   LYS  98          HG2       LYS  98   7.170  21.380   0.138
 1607   2HG   LYS  98          HG1       LYS  98   6.670  21.641   1.809
 1608   1HD   LYS  98          HD2       LYS  98   4.820  23.053   1.024
 1609   2HD   LYS  98          HD1       LYS  98   5.314  22.761  -0.644
 1610   1HE   LYS  98          HE2       LYS  98   4.914  20.362  -0.334
 1611   2HE   LYS  98          HE1       LYS  98   4.407  20.665   1.327
 1612   1HZ   LYS  98          HZ1       LYS  98   2.589  22.019   0.483
 1613   2HZ   LYS  98          HZ2       LYS  98   2.509  20.450  -0.145
 1614   3HZ   LYS  98          HZ3       LYS  98   3.075  21.718  -1.110
  Start of MODEL    8
    1   1H    MET   1          HT1       MET   1 -18.102   3.809  -0.839
    2   2H    MET   1          HT2       MET   1 -18.476   3.682  -2.483
    3   3H    MET   1          HT3       MET   1 -19.611   4.325  -1.410
    4    HA   MET   1           HA       MET   1 -18.755   6.180  -2.457
    5   1HB   MET   1          HB2       MET   1 -17.708   5.631   0.262
    6   2HB   MET   1          HB1       MET   1 -16.904   6.915  -0.618
    7   1HG   MET   1          HG2       MET   1 -18.916   7.571   0.871
    8   2HG   MET   1          HG1       MET   1 -18.778   8.257  -0.736
    9   1HE   MET   1          HE1       MET   1 -22.583   8.081  -0.507
   10   2HE   MET   1          HE2       MET   1 -21.143   9.018  -0.106
   11   3HE   MET   1          HE3       MET   1 -21.828   7.901   1.074
   12    H    ALA   2           HN       ALA   2 -16.637   7.546  -2.720
   13    HA   ALA   2           HA       ALA   2 -14.689   5.749  -3.979
   14   1HB   ALA   2          HB1       ALA   2 -15.390   8.573  -4.741
   15   2HB   ALA   2          HB2       ALA   2 -15.840   7.109  -5.609
   16   3HB   ALA   2          HB3       ALA   2 -14.150   7.586  -5.513
   17    H    ALA   3           HN       ALA   3 -12.722   5.670  -3.171
   18    HA   ALA   3           HA       ALA   3 -11.876   7.441  -1.111
   19   1HB   ALA   3          HB1       ALA   3 -10.474   5.320  -2.728
   20   2HB   ALA   3          HB2       ALA   3 -10.949   5.267  -1.030
   21   3HB   ALA   3          HB3       ALA   3  -9.620   6.305  -1.544
   22    H    GLU   4           HN       GLU   4 -11.785   9.554  -1.768
   23    HA   GLU   4           HA       GLU   4 -10.900  10.348  -4.337
   24   1HB   GLU   4          HB2       GLU   4 -11.275  11.885  -1.789
   25   2HB   GLU   4          HB1       GLU   4 -10.754  12.626  -3.289
   26   1HG   GLU   4          HG2       GLU   4 -13.386  11.356  -2.649
   27   2HG   GLU   4          HG1       GLU   4 -13.032  12.999  -3.185
   28    H    THR   5           HN       THR   5  -9.366  11.380  -1.298
   29    HA   THR   5           HA       THR   5  -6.808  11.014  -2.675
   30    HB   THR   5           HB       THR   5  -7.449  12.952  -0.454
   31    HG1  THR   5           HG1      THR   5  -6.806  13.413  -3.190
   32   1HG2  THR   5          HG21      THR   5  -4.921  12.955  -2.045
   33   2HG2  THR   5          HG22      THR   5  -5.065  11.916  -0.629
   34   3HG2  THR   5          HG23      THR   5  -5.248  13.662  -0.467
   35    H    LEU   6           HN       LEU   6  -6.683  11.661   0.737
   36    HA   LEU   6           HA       LEU   6  -5.364   9.120   1.088
   37   1HB   LEU   6          HB2       LEU   6  -5.769  11.398   3.031
   38   2HB   LEU   6          HB1       LEU   6  -4.742  10.006   3.291
   39    HG   LEU   6           HG       LEU   6  -3.702  10.952   0.974
   40   1HD1  LEU   6          HD11      LEU   6  -3.675  13.268   0.875
   41   2HD1  LEU   6          HD12      LEU   6  -4.201  13.446   2.549
   42   3HD1  LEU   6          HD13      LEU   6  -5.348  12.927   1.317
   43   1HD2  LEU   6          HD21      LEU   6  -2.965  11.792   3.776
   44   2HD2  LEU   6          HD22      LEU   6  -1.912  11.872   2.364
   45   3HD2  LEU   6          HD23      LEU   6  -2.459  10.308   2.968
   46    H    THR   7           HN       THR   7  -6.873   7.543   1.134
   47    HA   THR   7           HA       THR   7  -9.259   7.734   2.708
   48    HB   THR   7           HB       THR   7  -8.302   5.037   2.014
   49    HG1  THR   7           HG1      THR   7  -7.632   5.709   0.095
   50   1HG2  THR   7          HG21      THR   7 -10.482   4.603   1.974
   51   2HG2  THR   7          HG22      THR   7 -10.789   5.908   0.821
   52   3HG2  THR   7          HG23      THR   7 -10.734   6.252   2.549
   53    H    GLU   8           HN       GLU   8  -9.625   5.698   4.215
   54    HA   GLU   8           HA       GLU   8  -8.230   6.016   6.545
   55   1HB   GLU   8          HB2       GLU   8  -9.388   3.422   5.553
   56   2HB   GLU   8          HB1       GLU   8  -8.982   3.808   7.217
   57   1HG   GLU   8          HG2       GLU   8 -11.205   4.190   7.265
   58   2HG   GLU   8          HG1       GLU   8 -10.626   5.794   6.825
   59    H    LEU   9           HN       LEU   9  -7.282   4.246   3.736
   60    HA   LEU   9           HA       LEU   9  -5.388   2.520   4.867
   61   1HB   LEU   9          HB2       LEU   9  -5.371   3.655   2.100
   62   2HB   LEU   9          HB1       LEU   9  -4.767   2.096   2.609
   63    HG   LEU   9           HG       LEU   9  -7.596   3.007   2.209
   64   1HD1  LEU   9          HD11      LEU   9  -6.110   0.547   1.315
   65   2HD1  LEU   9          HD12      LEU   9  -6.439   1.976   0.338
   66   3HD1  LEU   9          HD13      LEU   9  -7.770   0.970   0.905
   67   1HD2  LEU   9          HD21      LEU   9  -8.239   1.951   4.063
   68   2HD2  LEU   9          HD22      LEU   9  -6.667   1.188   4.283
   69   3HD2  LEU   9          HD23      LEU   9  -7.855   0.462   3.205
   70    H    GLU  10           HN       GLU  10  -5.123   5.912   3.929
   71    HA   GLU  10           HA       GLU  10  -2.347   6.098   3.595
   72   1HB   GLU  10          HB2       GLU  10  -2.636   8.458   4.494
   73   2HB   GLU  10          HB1       GLU  10  -3.643   8.040   3.112
   74   1HG   GLU  10          HG2       GLU  10  -5.445   8.522   4.221
   75   2HG   GLU  10          HG1       GLU  10  -5.023   7.362   5.475
   76    H    ALA  11           HN       ALA  11  -4.338   5.749   6.439
   77    HA   ALA  11           HA       ALA  11  -2.427   6.362   8.411
   78   1HB   ALA  11          HB1       ALA  11  -4.293   4.166   9.028
   79   2HB   ALA  11          HB2       ALA  11  -5.049   5.655   8.467
   80   3HB   ALA  11          HB3       ALA  11  -4.002   5.681   9.886
   81    H    ALA  12           HN       ALA  12  -3.114   3.536   6.487
   82    HA   ALA  12           HA       ALA  12  -1.383   1.741   7.841
   83   1HB   ALA  12          HB1       ALA  12  -3.216   1.010   6.348
   84   2HB   ALA  12          HB2       ALA  12  -1.660   0.298   5.920
   85   3HB   ALA  12          HB3       ALA  12  -2.310   1.636   4.971
   86    H    ILE  13           HN       ILE  13  -1.015   4.022   5.177
   87    HA   ILE  13           HA       ILE  13   1.479   3.284   4.249
   88    HB   ILE  13           HB       ILE  13   0.133   5.959   4.388
   89   1HG1  ILE  13          HG12      ILE  13  -0.065   5.716   2.015
   90   2HG1  ILE  13          HG11      ILE  13   1.065   4.368   1.999
   91   1HG2  ILE  13          HG21      ILE  13   2.879   5.461   3.247
   92   2HG2  ILE  13          HG22      ILE  13   2.495   6.479   4.634
   93   3HG2  ILE  13          HG23      ILE  13   1.932   6.932   3.025
   94   1HD1  ILE  13          HD11      ILE  13  -0.548   2.999   3.211
   95   2HD1  ILE  13          HD12      ILE  13  -1.208   3.604   1.693
   96   3HD1  ILE  13          HD13      ILE  13  -1.680   4.347   3.215
   97    H    GLU  14           HN       GLU  14   0.544   4.711   7.249
   98    HA   GLU  14           HA       GLU  14   3.004   5.845   8.031
   99   1HB   GLU  14          HB2       GLU  14   0.782   4.736   9.755
  100   2HB   GLU  14          HB1       GLU  14   2.075   5.794  10.304
  101   1HG   GLU  14          HG2       GLU  14   1.258   7.542   8.776
  102   2HG   GLU  14          HG1       GLU  14  -0.073   6.482   8.310
  103    H    THR  15           HN       THR  15   1.641   2.584   8.378
  104    HA   THR  15           HA       THR  15   3.672   1.598  10.107
  105    HB   THR  15           HB       THR  15   1.980   0.078   8.106
  106    HG1  THR  15           HG1      THR  15   0.853  -0.465  10.157
  107   1HG2  THR  15          HG21      THR  15   2.492  -1.890   9.503
  108   2HG2  THR  15          HG22      THR  15   3.607  -0.906  10.450
  109   3HG2  THR  15          HG23      THR  15   3.933  -1.214   8.745
  110    H    VAL  16           HN       VAL  16   3.142   1.084   6.655
  111    HA   VAL  16           HA       VAL  16   5.492  -0.164   5.974
  112    HB   VAL  16           HB       VAL  16   3.628   0.057   4.441
  113   1HG1  VAL  16          HG11      VAL  16   3.042   2.128   3.399
  114   2HG1  VAL  16          HG12      VAL  16   4.366   2.962   4.201
  115   3HG1  VAL  16          HG13      VAL  16   3.011   2.347   5.146
  116   1HG2  VAL  16          HG21      VAL  16   6.344   0.887   3.656
  117   2HG2  VAL  16          HG22      VAL  16   5.073   1.264   2.496
  118   3HG2  VAL  16          HG23      VAL  16   5.315  -0.390   3.031
  119    H    VAL  17           HN       VAL  17   4.834   3.327   6.057
  120    HA   VAL  17           HA       VAL  17   7.416   4.049   5.126
  121    HB   VAL  17           HB       VAL  17   5.444   5.494   4.870
  122   1HG1  VAL  17          HG11      VAL  17   5.782   6.336   7.724
  123   2HG1  VAL  17          HG12      VAL  17   4.694   5.020   7.293
  124   3HG1  VAL  17          HG13      VAL  17   4.430   6.632   6.631
  125   1HG2  VAL  17          HG21      VAL  17   6.594   7.596   5.317
  126   2HG2  VAL  17          HG22      VAL  17   7.709   6.398   4.659
  127   3HG2  VAL  17          HG23      VAL  17   7.722   6.761   6.384
  128    H    SER  18           HN       SER  18   5.912   3.876   8.320
  129    HA   SER  18           HA       SER  18   8.258   4.876   9.641
  130   1HB   SER  18          HB2       SER  18   5.753   3.616  10.780
  131   2HB   SER  18          HB1       SER  18   7.011   4.413  11.725
  132    HG   SER  18           HG       SER  18   5.745   6.081  11.390
  133    H    THR  19           HN       THR  19   7.378   1.851   8.438
  134    HA   THR  19           HA       THR  19   8.898   0.381  10.415
  135    HB   THR  19           HB       THR  19   8.409  -1.635   9.037
  136    HG1  THR  19           HG1      THR  19   7.217   0.309   7.388
  137   1HG2  THR  19          HG21      THR  19   5.786  -1.300   9.359
  138   2HG2  THR  19          HG22      THR  19   6.347   0.099  10.275
  139   3HG2  THR  19          HG23      THR  19   6.885  -1.519  10.719
  140    H    PHE  20           HN       PHE  20   9.079  -0.081   6.963
  141    HA   PHE  20           HA       PHE  20  11.906  -0.632   7.099
  142   1HB   PHE  20          HB2       PHE  20  10.899  -2.220   5.779
  143   2HB   PHE  20          HB1       PHE  20   9.690  -1.100   5.174
  144    HD1  PHE  20           HD1      PHE  20   9.762  -1.301   2.885
  145    HD2  PHE  20           HD2      PHE  20  13.408  -0.868   5.037
  146    HE1  PHE  20           HE1      PHE  20  10.984  -1.089   0.767
  147    HE2  PHE  20           HE2      PHE  20  14.629  -0.674   2.927
  148    HZ   PHE  20           HZ       PHE  20  13.420  -0.772   0.794
  149    H    PHE  21           HN       PHE  21   9.783   1.662   5.462
  150    HA   PHE  21           HA       PHE  21  11.765   2.868   3.928
  151   1HB   PHE  21          HB2       PHE  21   9.237   4.077   5.064
  152   2HB   PHE  21          HB1       PHE  21  10.195   4.767   3.772
  153    HD1  PHE  21           HD1      PHE  21  10.532   1.520   3.006
  154    HD2  PHE  21           HD2      PHE  21   7.432   4.450   3.131
  155    HE1  PHE  21           HE1      PHE  21   9.236   0.240   1.350
  156    HE2  PHE  21           HE2      PHE  21   6.124   3.149   1.505
  157    HZ   PHE  21           HZ       PHE  21   7.038   1.050   0.602
  158    H    THR  22           HN       THR  22  11.213   2.954   7.291
  159    HA   THR  22           HA       THR  22  12.101   5.457   8.041
  160    HB   THR  22           HB       THR  22  12.969   4.452  10.071
  161    HG1  THR  22           HG1      THR  22  13.901   2.655   8.861
  162   1HG2  THR  22          HG21      THR  22  10.980   3.289  10.795
  163   2HG2  THR  22          HG22      THR  22  10.499   3.030   9.115
  164   3HG2  THR  22          HG23      THR  22  10.537   4.663   9.782
  165    H    PHE  23           HN       PHE  23  13.901   2.928   6.499
  166    HA   PHE  23           HA       PHE  23  16.455   3.746   7.364
  167   1HB   PHE  23          HB2       PHE  23  17.254   2.009   6.217
  168   2HB   PHE  23          HB1       PHE  23  15.576   1.555   6.098
  169    HD1  PHE  23           HD1      PHE  23  14.685   1.031   4.100
  170    HD2  PHE  23           HD2      PHE  23  18.209   3.408   4.204
  171    HE1  PHE  23           HE1      PHE  23  14.904   0.807   1.686
  172    HE2  PHE  23           HE2      PHE  23  18.427   3.198   1.778
  173    HZ   PHE  23           HZ       PHE  23  16.788   1.872   0.530
  174    H    ALA  24           HN       ALA  24  14.341   5.400   5.387
  175    HA   ALA  24           HA       ALA  24  15.866   6.625   3.449
  176   1HB   ALA  24          HB1       ALA  24  13.396   7.085   4.474
  177   2HB   ALA  24          HB2       ALA  24  14.212   8.201   3.380
  178   3HB   ALA  24          HB3       ALA  24  14.266   8.475   5.121
  179    H    GLY  25           HN       GLY  25  15.754   7.135   6.863
  180   1HA   GLY  25          HA2       GLY  25  17.321   9.382   7.192
  181   2HA   GLY  25          HA1       GLY  25  17.198   8.037   8.351
  182    H    ARG  26           HN       ARG  26  18.205   6.195   6.182
  183    HA   ARG  26           HA       ARG  26  20.772   5.755   6.841
  184   1HB   ARG  26          HB2       ARG  26  19.641   4.284   5.314
  185   2HB   ARG  26          HB1       ARG  26  19.497   5.556   4.108
  186   1HG   ARG  26          HG2       ARG  26  21.208   4.125   3.364
  187   2HG   ARG  26          HG1       ARG  26  22.012   5.566   3.987
  188   1HD   ARG  26          HD2       ARG  26  22.361   4.371   6.135
  189   2HD   ARG  26          HD1       ARG  26  21.683   2.924   5.387
  190    HE   ARG  26           HE       ARG  26  23.713   3.701   3.719
  191   1HH1  ARG  26          HH11      ARG  26  23.449   2.872   7.091
  192   2HH1  ARG  26          HH12      ARG  26  25.064   2.257   7.200
  193   1HH2  ARG  26          HH21      ARG  26  25.841   2.895   3.850
  194   2HH2  ARG  26          HH22      ARG  26  26.425   2.271   5.356
  195    H    GLU  27           HN       GLU  27  19.806   7.765   4.071
  196    HA   GLU  27           HA       GLU  27  21.997   9.597   4.641
  197   1HB   GLU  27          HB2       GLU  27  22.669   9.492   2.158
  198   2HB   GLU  27          HB1       GLU  27  23.239   8.202   3.208
  199   1HG   GLU  27          HG2       GLU  27  21.595   6.694   2.379
  200   2HG   GLU  27          HG1       GLU  27  20.778   7.981   1.494
  201    H    GLY  28           HN       GLY  28  20.273  10.980   5.099
  202   1HA   GLY  28          HA2       GLY  28  19.237  12.305   2.747
  203   2HA   GLY  28          HA1       GLY  28  18.023  11.563   3.772
  204    H    ARG  29           HN       ARG  29  17.601  13.987   3.459
  205    HA   ARG  29           HA       ARG  29  18.073  15.183   6.045
  206   1HB   ARG  29          HB2       ARG  29  19.873  16.245   4.874
  207   2HB   ARG  29          HB1       ARG  29  18.888  16.482   3.438
  208   1HG   ARG  29          HG2       ARG  29  17.451  18.024   4.844
  209   2HG   ARG  29          HG1       ARG  29  18.730  17.943   6.057
  210   1HD   ARG  29          HD2       ARG  29  19.068  18.851   3.201
  211   2HD   ARG  29          HD1       ARG  29  18.950  19.911   4.606
  212    HE   ARG  29           HE       ARG  29  21.042  18.060   4.987
  213   1HH1  ARG  29          HH11      ARG  29  20.223  20.873   3.106
  214   2HH1  ARG  29          HH12      ARG  29  21.865  21.403   2.943
  215   1HH2  ARG  29          HH21      ARG  29  23.207  18.749   4.782
  216   2HH2  ARG  29          HH22      ARG  29  23.561  20.194   3.896
  217    H    LYS  30           HN       LYS  30  16.980  16.181   2.876
  218    HA   LYS  30           HA       LYS  30  14.187  16.100   3.701
  219   1HB   LYS  30          HB2       LYS  30  15.644  18.520   2.621
  220   2HB   LYS  30          HB1       LYS  30  13.900  18.347   2.494
  221   1HG   LYS  30          HG2       LYS  30  13.710  18.257   4.914
  222   2HG   LYS  30          HG1       LYS  30  15.465  18.357   5.068
  223   1HD   LYS  30          HD2       LYS  30  15.452  20.566   4.058
  224   2HD   LYS  30          HD1       LYS  30  13.709  20.462   3.806
  225   1HE   LYS  30          HE2       LYS  30  15.113  20.442   6.476
  226   2HE   LYS  30          HE1       LYS  30  14.259  21.814   5.771
  227   1HZ   LYS  30          HZ1       LYS  30  12.889  20.650   7.382
  228   2HZ   LYS  30          HZ2       LYS  30  13.034  19.211   6.507
  229   3HZ   LYS  30          HZ3       LYS  30  12.215  20.528   5.834
  230    H    GLY  31           HN       GLY  31  15.838  14.389   2.102
  231   1HA   GLY  31          HA2       GLY  31  14.643  14.885  -0.567
  232   2HA   GLY  31          HA1       GLY  31  16.277  14.251  -0.375
  233    H    SER  32           HN       SER  32  16.532  11.999  -0.089
  234    HA   SER  32           HA       SER  32  14.081  10.564   0.418
  235   1HB   SER  32          HB2       SER  32  14.880   9.065  -1.660
  236   2HB   SER  32          HB1       SER  32  13.680  10.348  -1.739
  237    HG   SER  32           HG       SER  32  15.597  10.340  -3.264
  238    H    LEU  33           HN       LEU  33  14.283   8.231   0.119
  239    HA   LEU  33           HA       LEU  33  16.461   7.145   1.689
  240   1HB   LEU  33          HB2       LEU  33  14.266   6.447   2.421
  241   2HB   LEU  33          HB1       LEU  33  13.776   6.135   0.795
  242    HG   LEU  33           HG       LEU  33  16.002   4.485   1.776
  243   1HD1  LEU  33          HD11      LEU  33  14.942   3.985   3.683
  244   2HD1  LEU  33          HD12      LEU  33  13.886   3.028   2.647
  245   3HD1  LEU  33          HD13      LEU  33  13.416   4.652   3.136
  246   1HD2  LEU  33          HD21      LEU  33  15.085   4.222  -0.468
  247   2HD2  LEU  33          HD22      LEU  33  13.484   3.960   0.199
  248   3HD2  LEU  33          HD23      LEU  33  14.746   2.788   0.491
  249    H    ASN  34           HN       ASN  34  17.572   5.174   0.804
  250    HA   ASN  34           HA       ASN  34  17.341   5.219  -2.117
  251   1HB   ASN  34          HB2       ASN  34  19.368   6.327  -1.043
  252   2HB   ASN  34          HB1       ASN  34  19.894   4.710  -0.592
  253   1HD2  ASN  34          HD21      ASN  34  19.229   6.835  -3.296
  254   2HD2  ASN  34          HD22      ASN  34  20.161   5.957  -4.455
  255    H    ILE  35           HN       ILE  35  19.664   2.981  -1.448
  256    HA   ILE  35           HA       ILE  35  17.825   0.904  -0.782
  257    HB   ILE  35           HB       ILE  35  18.956  -0.507  -2.629
  258   1HG1  ILE  35          HG12      ILE  35  20.414   1.522  -3.268
  259   2HG1  ILE  35          HG11      ILE  35  19.678   0.592  -4.565
  260   1HG2  ILE  35          HG21      ILE  35  17.029   0.972  -4.062
  261   2HG2  ILE  35          HG22      ILE  35  16.536   0.924  -2.380
  262   3HG2  ILE  35          HG23      ILE  35  16.845  -0.575  -3.255
  263   1HD1  ILE  35          HD11      ILE  35  19.644   3.166  -4.658
  264   2HD1  ILE  35          HD12      ILE  35  18.310   3.024  -3.519
  265   3HD1  ILE  35          HD13      ILE  35  18.199   2.265  -5.101
  266    H    ASN  36           HN       ASN  36  20.008   2.124   0.605
  267    HA   ASN  36           HA       ASN  36  22.142   0.183   0.578
  268   1HB   ASN  36          HB2       ASN  36  22.600   2.570   1.103
  269   2HB   ASN  36          HB1       ASN  36  21.589   2.419   2.538
  270   1HD2  ASN  36          HD21      ASN  36  22.292   1.050   4.238
  271   2HD2  ASN  36          HD22      ASN  36  23.968   0.687   4.440
  272    H    GLU  37           HN       GLU  37  19.856   1.308   3.066
  273    HA   GLU  37           HA       GLU  37  20.233  -1.130   4.517
  274   1HB   GLU  37          HB2       GLU  37  17.917   0.665   5.008
  275   2HB   GLU  37          HB1       GLU  37  18.800  -0.332   6.138
  276   1HG   GLU  37          HG2       GLU  37  20.786   1.150   5.579
  277   2HG   GLU  37          HG1       GLU  37  19.593   2.286   4.927
  278    H    PHE  38           HN       PHE  38  18.123  -0.049   1.955
  279    HA   PHE  38           HA       PHE  38  16.029  -1.827   2.134
  280   1HB   PHE  38          HB2       PHE  38  16.568  -0.083   0.333
  281   2HB   PHE  38          HB1       PHE  38  17.621  -1.280  -0.396
  282    HD1  PHE  38           HD1      PHE  38  15.986  -3.718  -0.247
  283    HD2  PHE  38           HD2      PHE  38  14.871   0.284  -1.121
  284    HE1  PHE  38           HE1      PHE  38  14.073  -4.546  -1.545
  285    HE2  PHE  38           HE2      PHE  38  12.951  -0.531  -2.424
  286    HZ   PHE  38           HZ       PHE  38  12.550  -2.950  -2.637
  287    H    LYS  39           HN       LYS  39  19.404  -2.264   1.412
  288    HA   LYS  39           HA       LYS  39  19.411  -4.846   0.475
  289   1HB   LYS  39          HB2       LYS  39  21.591  -3.589   2.092
  290   2HB   LYS  39          HB1       LYS  39  21.758  -4.884   0.917
  291   1HG   LYS  39          HG2       LYS  39  20.481  -2.609  -0.218
  292   2HG   LYS  39          HG1       LYS  39  22.056  -2.179   0.453
  293   1HD   LYS  39          HD2       LYS  39  21.535  -4.444  -1.478
  294   2HD   LYS  39          HD1       LYS  39  22.191  -2.867  -1.921
  295   1HE   LYS  39          HE2       LYS  39  23.455  -4.848  -0.028
  296   2HE   LYS  39          HE1       LYS  39  23.963  -4.531  -1.687
  297   1HZ   LYS  39          HZ1       LYS  39  25.357  -3.351  -0.126
  298   2HZ   LYS  39          HZ2       LYS  39  24.013  -2.582   0.554
  299   3HZ   LYS  39          HZ3       LYS  39  24.462  -2.244  -1.041
  300    H    GLU  40           HN       GLU  40  18.810  -3.716   3.491
  301    HA   GLU  40           HA       GLU  40  19.476  -6.124   4.910
  302   1HB   GLU  40          HB2       GLU  40  19.056  -4.940   6.842
  303   2HB   GLU  40          HB1       GLU  40  19.395  -3.584   5.763
  304   1HG   GLU  40          HG2       GLU  40  16.870  -3.569   5.349
  305   2HG   GLU  40          HG1       GLU  40  16.761  -4.558   6.803
  306    H    LEU  41           HN       LEU  41  17.101  -5.227   2.781
  307    HA   LEU  41           HA       LEU  41  14.807  -6.349   4.039
  308   1HB   LEU  41          HB2       LEU  41  15.316  -5.591   1.164
  309   2HB   LEU  41          HB1       LEU  41  13.763  -6.078   1.806
  310    HG   LEU  41           HG       LEU  41  14.832  -3.496   1.602
  311   1HD1  LEU  41          HD11      LEU  41  12.581  -3.655   1.294
  312   2HD1  LEU  41          HD12      LEU  41  12.616  -3.039   2.946
  313   3HD1  LEU  41          HD13      LEU  41  12.357  -4.756   2.651
  314   1HD2  LEU  41          HD21      LEU  41  16.012  -3.578   3.636
  315   2HD2  LEU  41          HD22      LEU  41  14.704  -4.425   4.460
  316   3HD2  LEU  41          HD23      LEU  41  14.509  -2.734   4.006
  317    H    ALA  42           HN       ALA  42  15.602  -7.377   0.750
  318    HA   ALA  42           HA       ALA  42  14.711  -9.878   0.813
  319   1HB   ALA  42          HB1       ALA  42  16.703 -10.443  -0.727
  320   2HB   ALA  42          HB2       ALA  42  17.010  -8.718  -0.595
  321   3HB   ALA  42          HB3       ALA  42  15.473  -9.285  -1.224
  322    H    THR  43           HN       THR  43  17.655  -8.807   2.233
  323    HA   THR  43           HA       THR  43  18.934 -11.216   2.720
  324    HB   THR  43           HB       THR  43  19.923  -9.753   4.648
  325    HG1  THR  43           HG1      THR  43  18.990  -7.593   3.106
  326   1HG2  THR  43          HG21      THR  43  20.226  -9.039   1.740
  327   2HG2  THR  43          HG22      THR  43  21.144 -10.261   2.617
  328   3HG2  THR  43          HG23      THR  43  21.344  -8.553   3.013
  329    H    GLN  44           HN       GLN  44  17.065  -9.170   4.962
  330    HA   GLN  44           HA       GLN  44  16.826 -11.266   6.852
  331   1HB   GLN  44          HB2       GLN  44  15.691  -8.481   6.747
  332   2HB   GLN  44          HB1       GLN  44  15.385  -9.590   8.077
  333   1HG   GLN  44          HG2       GLN  44  17.768  -9.685   8.561
  334   2HG   GLN  44          HG1       GLN  44  18.090  -8.598   7.209
  335   1HE2  GLN  44          HE21      GLN  44  18.640  -8.292  10.071
  336   2HE2  GLN  44          HE22      GLN  44  17.856  -6.828  10.548
  337    H    GLN  45           HN       GLN  45  14.761  -9.761   4.450
  338    HA   GLN  45           HA       GLN  45  12.413 -11.200   5.372
  339   1HB   GLN  45          HB2       GLN  45  11.309 -10.187   3.388
  340   2HB   GLN  45          HB1       GLN  45  12.063  -8.995   4.439
  341   1HG   GLN  45          HG2       GLN  45  13.158  -8.200   2.702
  342   2HG   GLN  45          HG1       GLN  45  13.999  -9.742   2.583
  343   1HE2  GLN  45          HE21      GLN  45  11.385  -7.825   1.355
  344   2HE2  GLN  45          HE22      GLN  45  11.109  -8.762  -0.066
  345    H    LEU  46           HN       LEU  46  15.118 -12.017   3.624
  346    HA   LEU  46           HA       LEU  46  14.566 -13.345   1.390
  347   1HB   LEU  46          HB2       LEU  46  16.546 -13.575   3.444
  348   2HB   LEU  46          HB1       LEU  46  16.069 -15.189   2.964
  349    HG   LEU  46           HG       LEU  46  17.363 -13.062   1.277
  350   1HD1  LEU  46          HD11      LEU  46  18.068 -15.933   1.832
  351   2HD1  LEU  46          HD12      LEU  46  18.790 -14.533   2.622
  352   3HD1  LEU  46          HD13      LEU  46  19.011 -14.779   0.890
  353   1HD2  LEU  46          HD21      LEU  46  15.627 -13.877  -0.123
  354   2HD2  LEU  46          HD22      LEU  46  15.909 -15.539   0.389
  355   3HD2  LEU  46          HD23      LEU  46  17.106 -14.708  -0.604
  356    HA   PRO  47           HA       PRO  47  12.461 -16.975   3.399
  357   1HB   PRO  47          HB2       PRO  47  12.726 -17.615   5.950
  358   2HB   PRO  47          HB1       PRO  47  14.086 -17.855   4.845
  359   1HG   PRO  47          HG2       PRO  47  13.660 -15.714   6.880
  360   2HG   PRO  47          HG1       PRO  47  15.164 -16.516   6.392
  361   1HD   PRO  47          HD2       PRO  47  14.196 -14.008   5.455
  362   2HD   PRO  47          HD1       PRO  47  15.555 -14.943   4.799
  363    H    HIS  48           HN       HIS  48  10.656 -15.539   3.038
  364    HA   HIS  48           HA       HIS  48   9.333 -14.541   5.431
  365   1HB   HIS  48          HB2       HIS  48   9.462 -13.573   2.808
  366   2HB   HIS  48          HB1       HIS  48   7.783 -14.078   3.016
  367    HD1  HIS  48           HD1      HIS  48   6.384 -12.782   4.751
  368    HD2  HIS  48           HD2      HIS  48  10.304 -11.455   4.429
  369    HE1  HIS  48           HE1      HIS  48   6.479 -10.628   6.042
  370    HE2  HIS  48           HE2      HIS  48   8.867  -9.866   5.872
  371    H    LEU  49           HN       LEU  49   6.643 -14.835   4.390
  372    HA   LEU  49           HA       LEU  49   6.238 -17.608   5.086
  373   1HB   LEU  49          HB2       LEU  49   4.683 -15.838   5.866
  374   2HB   LEU  49          HB1       LEU  49   4.224 -15.514   4.212
  375    HG   LEU  49           HG       LEU  49   2.563 -16.872   5.457
  376   1HD1  LEU  49          HD11      LEU  49   3.758 -18.543   3.270
  377   2HD1  LEU  49          HD12      LEU  49   2.951 -17.011   2.942
  378   3HD1  LEU  49          HD13      LEU  49   2.061 -18.331   3.699
  379   1HD2  LEU  49          HD21      LEU  49   3.085 -19.221   5.939
  380   2HD2  LEU  49          HD22      LEU  49   4.080 -18.112   6.883
  381   3HD2  LEU  49          HD23      LEU  49   4.763 -18.932   5.479
  382    H    LEU  50           HN       LEU  50   4.524 -15.973   2.435
  383    HA   LEU  50           HA       LEU  50   5.148 -18.182   0.660
  384   1HB   LEU  50          HB2       LEU  50   2.873 -17.152   0.761
  385   2HB   LEU  50          HB1       LEU  50   3.555 -15.672   0.116
  386    HG   LEU  50           HG       LEU  50   4.198 -16.896  -1.943
  387   1HD1  LEU  50          HD11      LEU  50   4.399 -19.128  -1.005
  388   2HD1  LEU  50          HD12      LEU  50   3.248 -19.117  -2.343
  389   3HD1  LEU  50          HD13      LEU  50   2.666 -19.163  -0.678
  390   1HD2  LEU  50          HD21      LEU  50   1.922 -17.119  -2.833
  391   2HD2  LEU  50          HD22      LEU  50   2.118 -15.651  -1.878
  392   3HD2  LEU  50          HD23      LEU  50   1.282 -17.044  -1.191
  393    H    LYS  51           HN       LYS  51   7.485 -17.011   1.284
  394    HA   LYS  51           HA       LYS  51   8.170 -14.853  -0.476
  395   1HB   LYS  51          HB2       LYS  51   9.092 -15.534   1.902
  396   2HB   LYS  51          HB1       LYS  51  10.208 -16.496   0.952
  397   1HG   LYS  51          HG2       LYS  51  11.040 -14.225   1.641
  398   2HG   LYS  51          HG1       LYS  51  11.124 -14.571  -0.089
  399   1HD   LYS  51          HD2       LYS  51   9.411 -13.118  -0.591
  400   2HD   LYS  51          HD1       LYS  51   8.717 -13.213   1.029
  401   1HE   LYS  51          HE2       LYS  51  11.171 -12.156   1.541
  402   2HE   LYS  51          HE1       LYS  51  10.803 -11.459  -0.030
  403   1HZ   LYS  51          HZ1       LYS  51   8.817 -10.508   0.799
  404   2HZ   LYS  51          HZ2       LYS  51  10.042 -10.116   1.899
  405   3HZ   LYS  51          HZ3       LYS  51   8.939 -11.344   2.264
  406    H    ASP  52           HN       ASP  52  10.243 -15.070  -1.716
  407    HA   ASP  52           HA       ASP  52  10.313 -17.599  -3.210
  408   1HB   ASP  52          HB2       ASP  52   9.227 -15.894  -4.561
  409   2HB   ASP  52          HB1       ASP  52  10.562 -14.780  -4.282
  410    H    VAL  53           HN       VAL  53  12.012 -16.076  -0.997
  411    HA   VAL  53           HA       VAL  53  14.196 -15.842  -0.443
  412    HB   VAL  53           HB       VAL  53  14.376 -18.129  -2.388
  413   1HG1  VAL  53          HG11      VAL  53  16.592 -17.117  -2.093
  414   2HG1  VAL  53          HG12      VAL  53  16.510 -18.707  -1.337
  415   3HG1  VAL  53          HG13      VAL  53  16.417 -17.254  -0.344
  416   1HG2  VAL  53          HG21      VAL  53  14.224 -18.099   0.618
  417   2HG2  VAL  53          HG22      VAL  53  14.356 -19.534  -0.400
  418   3HG2  VAL  53          HG23      VAL  53  12.912 -18.525  -0.483
  419    H    GLY  54           HN       GLY  54  14.218 -13.751  -1.448
  420   1HA   GLY  54          HA2       GLY  54  14.814 -13.041  -3.996
  421   2HA   GLY  54          HA1       GLY  54  15.421 -12.167  -2.601
  422    H    SER  55           HN       SER  55  16.278 -13.510  -5.402
  423    HA   SER  55           HA       SER  55  18.803 -14.665  -4.632
  424   1HB   SER  55          HB2       SER  55  17.434 -15.307  -6.701
  425   2HB   SER  55          HB1       SER  55  17.987 -13.789  -7.409
  426    HG   SER  55           HG       SER  55  19.743 -14.804  -7.906
  427    H    LEU  56           HN       LEU  56  20.752 -13.627  -4.573
  428    HA   LEU  56           HA       LEU  56  21.033 -11.007  -3.995
  429   1HB   LEU  56          HB2       LEU  56  22.843 -12.656  -3.836
  430   2HB   LEU  56          HB1       LEU  56  23.018 -12.635  -5.581
  431    HG   LEU  56           HG       LEU  56  23.653 -10.237  -5.454
  432   1HD1  LEU  56          HD11      LEU  56  24.306  -9.351  -3.229
  433   2HD1  LEU  56          HD12      LEU  56  23.519 -10.744  -2.488
  434   3HD1  LEU  56          HD13      LEU  56  22.569  -9.586  -3.419
  435   1HD2  LEU  56          HD21      LEU  56  25.345 -12.078  -3.768
  436   2HD2  LEU  56          HD22      LEU  56  25.891 -10.617  -4.591
  437   3HD2  LEU  56          HD23      LEU  56  25.348 -12.007  -5.530
  438    H    ASP  57           HN       ASP  57  21.096 -12.337  -7.295
  439    HA   ASP  57           HA       ASP  57  21.772  -9.989  -8.632
  440   1HB   ASP  57          HB2       ASP  57  19.804 -11.987  -9.704
  441   2HB   ASP  57          HB1       ASP  57  20.897 -10.923 -10.581
  442    H    GLU  58           HN       GLU  58  18.512 -11.322  -8.100
  443    HA   GLU  58           HA       GLU  58  17.068  -9.174  -9.120
  444   1HB   GLU  58          HB2       GLU  58  16.348 -11.548  -8.046
  445   2HB   GLU  58          HB1       GLU  58  15.968 -10.497  -6.683
  446   1HG   GLU  58          HG2       GLU  58  14.520  -9.161  -8.100
  447   2HG   GLU  58          HG1       GLU  58  14.910 -10.183  -9.483
  448    H    LYS  59           HN       LYS  59  18.371  -9.824  -5.945
  449    HA   LYS  59           HA       LYS  59  17.424  -7.509  -4.682
  450   1HB   LYS  59          HB2       LYS  59  19.840  -9.179  -3.997
  451   2HB   LYS  59          HB1       LYS  59  19.020  -8.059  -2.916
  452   1HG   LYS  59          HG2       LYS  59  17.188  -9.461  -2.636
  453   2HG   LYS  59          HG1       LYS  59  17.488 -10.301  -4.155
  454   1HD   LYS  59          HD2       LYS  59  17.982 -11.638  -2.102
  455   2HD   LYS  59          HD1       LYS  59  19.326 -11.497  -3.231
  456   1HE   LYS  59          HE2       LYS  59  20.081  -9.523  -1.773
  457   2HE   LYS  59          HE1       LYS  59  18.940 -10.147  -0.583
  458   1HZ   LYS  59          HZ1       LYS  59  21.218 -11.650  -1.751
  459   2HZ   LYS  59          HZ2       LYS  59  20.113 -12.264  -0.627
  460   3HZ   LYS  59          HZ3       LYS  59  21.153 -11.004  -0.189
  461    H    MET  60           HN       MET  60  20.067  -8.084  -6.800
  462    HA   MET  60           HA       MET  60  21.524  -5.744  -6.113
  463   1HB   MET  60          HB2       MET  60  21.761  -7.835  -8.258
  464   2HB   MET  60          HB1       MET  60  22.665  -6.325  -8.399
  465   1HG   MET  60          HG2       MET  60  22.814  -8.173  -6.032
  466   2HG   MET  60          HG1       MET  60  23.954  -8.169  -7.376
  467   1HE   MET  60          HE1       MET  60  26.074  -6.581  -4.499
  468   2HE   MET  60          HE2       MET  60  26.032  -7.808  -5.765
  469   3HE   MET  60          HE3       MET  60  24.921  -7.913  -4.399
  470    H    LYS  61           HN       LYS  61  19.148  -6.594  -8.535
  471    HA   LYS  61           HA       LYS  61  19.477  -4.137 -10.018
  472   1HB   LYS  61          HB2       LYS  61  16.973  -5.593 -10.449
  473   2HB   LYS  61          HB1       LYS  61  18.183  -5.073 -11.612
  474   1HG   LYS  61          HG2       LYS  61  18.250  -7.564  -9.925
  475   2HG   LYS  61          HG1       LYS  61  17.966  -7.462 -11.660
  476   1HD   LYS  61          HD2       LYS  61  20.265  -6.374 -11.816
  477   2HD   LYS  61          HD1       LYS  61  20.513  -6.923 -10.158
  478   1HE   LYS  61          HE2       LYS  61  21.451  -8.540 -11.672
  479   2HE   LYS  61          HE1       LYS  61  20.030  -9.229 -10.888
  480   1HZ   LYS  61          HZ1       LYS  61  18.738  -8.788 -12.856
  481   2HZ   LYS  61          HZ2       LYS  61  20.103  -9.696 -13.276
  482   3HZ   LYS  61          HZ3       LYS  61  20.056  -8.037 -13.607
  483    H    THR  62           HN       THR  62  16.937  -5.559  -8.024
  484    HA   THR  62           HA       THR  62  15.080  -3.566  -8.115
  485    HB   THR  62           HB       THR  62  15.764  -5.159  -5.647
  486    HG1  THR  62           HG1      THR  62  15.097  -6.082  -7.974
  487   1HG2  THR  62          HG21      THR  62  13.223  -3.790  -6.537
  488   2HG2  THR  62          HG22      THR  62  14.228  -3.352  -5.156
  489   3HG2  THR  62          HG23      THR  62  13.347  -4.879  -5.156
  490    H    LEU  63           HN       LEU  63  18.146  -3.530  -6.511
  491    HA   LEU  63           HA       LEU  63  17.823  -1.569  -4.605
  492   1HB   LEU  63          HB2       LEU  63  20.023  -2.622  -6.192
  493   2HB   LEU  63          HB1       LEU  63  20.249  -0.932  -5.798
  494    HG   LEU  63           HG       LEU  63  19.495  -2.145  -3.381
  495   1HD1  LEU  63          HD11      LEU  63  20.741  -4.069  -5.115
  496   2HD1  LEU  63          HD12      LEU  63  20.106  -4.272  -3.483
  497   3HD1  LEU  63          HD13      LEU  63  21.766  -3.731  -3.722
  498   1HD2  LEU  63          HD21      LEU  63  22.365  -1.734  -4.031
  499   2HD2  LEU  63          HD22      LEU  63  21.440  -1.222  -2.621
  500   3HD2  LEU  63          HD23      LEU  63  21.288  -0.346  -4.141
  501    H    ASP  64           HN       ASP  64  19.511  -0.601  -7.569
  502    HA   ASP  64           HA       ASP  64  18.742   2.050  -7.394
  503   1HB   ASP  64          HB2       ASP  64  19.252   0.625 -10.003
  504   2HB   ASP  64          HB1       ASP  64  19.380   2.359  -9.666
  505    H    VAL  65           HN       VAL  65  16.918  -0.664  -8.612
  506    HA   VAL  65           HA       VAL  65  15.050   0.648 -10.198
  507    HB   VAL  65           HB       VAL  65  14.646  -1.738  -8.360
  508   1HG1  VAL  65          HG11      VAL  65  12.789  -0.609 -10.462
  509   2HG1  VAL  65          HG12      VAL  65  12.485  -0.694  -8.727
  510   3HG1  VAL  65          HG13      VAL  65  12.597  -2.176  -9.677
  511   1HG2  VAL  65          HG21      VAL  65  16.241  -1.863 -10.331
  512   2HG2  VAL  65          HG22      VAL  65  14.823  -1.680 -11.362
  513   3HG2  VAL  65          HG23      VAL  65  14.954  -3.066 -10.279
  514    H    ASN  66           HN       ASN  66  14.021  -0.459  -6.999
  515    HA   ASN  66           HA       ASN  66  12.451   1.950  -6.651
  516   1HB   ASN  66          HB2       ASN  66  12.852  -0.137  -4.541
  517   2HB   ASN  66          HB1       ASN  66  11.449   0.895  -4.842
  518   1HD2  ASN  66          HD21      ASN  66   9.986   0.338  -6.443
  519   2HD2  ASN  66          HD22      ASN  66   9.950  -1.233  -7.161
  520    H    GLN  67           HN       GLN  67  14.885   2.921  -6.764
  521    HA   GLN  67           HA       GLN  67  16.450   2.765  -4.457
  522   1HB   GLN  67          HB2       GLN  67  17.708   4.550  -5.356
  523   2HB   GLN  67          HB1       GLN  67  17.199   3.560  -6.707
  524   1HG   GLN  67          HG2       GLN  67  15.996   6.138  -5.859
  525   2HG   GLN  67          HG1       GLN  67  17.128   5.949  -7.171
  526   1HE2  GLN  67          HE21      GLN  67  14.212   6.757  -6.763
  527   2HE2  GLN  67          HE22      GLN  67  13.352   5.901  -7.959
  528    H    ASP  68           HN       ASP  68  14.135   5.131  -5.503
  529    HA   ASP  68           HA       ASP  68  14.205   6.447  -2.931
  530   1HB   ASP  68          HB2       ASP  68  12.852   7.210  -5.516
  531   2HB   ASP  68          HB1       ASP  68  12.688   8.113  -4.014
  532    H    SER  69           HN       SER  69  13.013   3.726  -3.361
  533    HA   SER  69           HA       SER  69  10.301   3.549  -3.493
  534   1HB   SER  69          HB2       SER  69  10.432   1.631  -1.976
  535   2HB   SER  69          HB1       SER  69  11.814   1.609  -3.072
  536    HG   SER  69           HG       SER  69  12.751   1.325  -1.156
  537    H    GLU  70           HN       GLU  70  12.321   4.788  -1.014
  538    HA   GLU  70           HA       GLU  70   9.988   5.970   0.334
  539   1HB   GLU  70          HB2       GLU  70  10.873   4.539   1.982
  540   2HB   GLU  70          HB1       GLU  70  12.518   4.880   1.480
  541   1HG   GLU  70          HG2       GLU  70  12.126   5.991   3.570
  542   2HG   GLU  70          HG1       GLU  70  12.279   7.206   2.308
  543    H    LEU  71           HN       LEU  71  10.281   8.069   1.026
  544    HA   LEU  71           HA       LEU  71  12.754   9.328   0.447
  545   1HB   LEU  71          HB2       LEU  71  11.556  11.087  -0.898
  546   2HB   LEU  71          HB1       LEU  71  11.930   9.547  -1.657
  547    HG   LEU  71           HG       LEU  71   9.668  10.365  -2.147
  548   1HD1  LEU  71          HD11      LEU  71   9.192   7.927  -0.573
  549   2HD1  LEU  71          HD12      LEU  71  10.480   7.867  -1.766
  550   3HD1  LEU  71          HD13      LEU  71   8.871   8.224  -2.261
  551   1HD2  LEU  71          HD21      LEU  71   8.040  10.658  -0.558
  552   2HD2  LEU  71          HD22      LEU  71   9.469  11.395   0.146
  553   3HD2  LEU  71          HD23      LEU  71   8.965   9.792   0.666
  554    H    ARG  72           HN       ARG  72  12.730  11.617   0.909
  555    HA   ARG  72           HA       ARG  72  11.213  12.215   3.325
  556   1HB   ARG  72          HB2       ARG  72  13.530  13.805   2.284
  557   2HB   ARG  72          HB1       ARG  72  13.006  13.594   3.952
  558   1HG   ARG  72          HG2       ARG  72  14.500  11.675   2.203
  559   2HG   ARG  72          HG1       ARG  72  15.052  12.435   3.699
  560   1HD   ARG  72          HD2       ARG  72  12.910  10.344   3.384
  561   2HD   ARG  72          HD1       ARG  72  14.479  10.153   4.157
  562    HE   ARG  72           HE       ARG  72  13.365  12.111   5.617
  563   1HH1  ARG  72          HH11      ARG  72  12.181   9.001   4.587
  564   2HH1  ARG  72          HH12      ARG  72  11.159   8.787   5.969
  565   1HH2  ARG  72          HH21      ARG  72  12.021  11.840   7.441
  566   2HH2  ARG  72          HH22      ARG  72  11.068  10.401   7.591
  567    H    PHE  73           HN       PHE  73  11.903  13.120   0.033
  568    HA   PHE  73           HA       PHE  73  10.369  15.552   0.280
  569   1HB   PHE  73          HB2       PHE  73  11.218  16.055  -2.037
  570   2HB   PHE  73          HB1       PHE  73  12.402  16.015  -0.745
  571    HD1  PHE  73           HD1      PHE  73  11.414  12.709  -1.790
  572    HD2  PHE  73           HD2      PHE  73  13.960  15.990  -2.717
  573    HE1  PHE  73           HE1      PHE  73  12.837  11.228  -3.145
  574    HE2  PHE  73           HE2      PHE  73  15.377  14.514  -4.068
  575    HZ   PHE  73           HZ       PHE  73  14.817  12.130  -4.287
  576    H    SER  74           HN       SER  74  10.305  14.437  -2.976
  577    HA   SER  74           HA       SER  74   7.479  13.793  -2.546
  578   1HB   SER  74          HB2       SER  74   7.057  14.709  -4.829
  579   2HB   SER  74          HB1       SER  74   7.616  15.908  -3.661
  580    HG   SER  74           HG       SER  74   8.684  15.953  -5.759
  581    H    GLU  75           HN       GLU  75  10.075  12.126  -3.164
  582    HA   GLU  75           HA       GLU  75   9.406  10.730  -5.522
  583   1HB   GLU  75          HB2       GLU  75  11.201  10.343  -3.226
  584   2HB   GLU  75          HB1       GLU  75  10.774   8.886  -4.089
  585   1HG   GLU  75          HG2       GLU  75  12.034  11.321  -5.289
  586   2HG   GLU  75          HG1       GLU  75  12.899   9.895  -4.720
  587    H    TYR  76           HN       TYR  76   7.754  10.831  -2.583
  588    HA   TYR  76           HA       TYR  76   7.173   8.364  -1.750
  589   1HB   TYR  76          HB2       TYR  76   5.643  10.836  -1.749
  590   2HB   TYR  76          HB1       TYR  76   4.657   9.388  -1.596
  591    HD1  TYR  76           HD1      TYR  76   4.806  11.480   0.504
  592    HD2  TYR  76           HD2      TYR  76   7.210   8.013  -0.063
  593    HE1  TYR  76           HE1      TYR  76   5.403  11.472   2.888
  594    HE2  TYR  76           HE2      TYR  76   7.806   7.997   2.251
  595    HH   TYR  76           HH       TYR  76   6.198   9.947   4.591
  596    H    TRP  77           HN       TRP  77   6.225   9.484  -4.828
  597    HA   TRP  77           HA       TRP  77   4.215   7.567  -5.343
  598   1HB   TRP  77          HB2       TRP  77   4.678   7.961  -7.714
  599   2HB   TRP  77          HB1       TRP  77   4.672   9.493  -6.849
  600    HD1  TRP  77           HD1      TRP  77   7.293   6.868  -7.954
  601    HE1  TRP  77           HE1      TRP  77   9.423   8.110  -8.627
  602    HE3  TRP  77           HE3      TRP  77   5.816  11.645  -6.936
  603    HZ2  TRP  77           HZ2      TRP  77  10.375  10.775  -8.722
  604    HZ3  TRP  77           HZ3      TRP  77   7.385  13.482  -7.327
  605    HH2  TRP  77           HH2      TRP  77   9.624  13.060  -8.212
  606    H    ARG  78           HN       ARG  78   7.495   7.121  -4.626
  607    HA   ARG  78           HA       ARG  78   7.957   4.877  -6.376
  608   1HB   ARG  78          HB2       ARG  78   9.572   6.106  -4.130
  609   2HB   ARG  78          HB1       ARG  78  10.123   4.698  -5.043
  610   1HG   ARG  78          HG2       ARG  78   9.364   7.256  -6.406
  611   2HG   ARG  78          HG1       ARG  78  10.968   7.017  -5.718
  612   1HD   ARG  78          HD2       ARG  78  11.222   4.985  -7.089
  613   2HD   ARG  78          HD1       ARG  78   9.642   5.295  -7.808
  614    HE   ARG  78           HE       ARG  78  11.428   7.511  -8.084
  615   1HH1  ARG  78          HH11      ARG  78  10.533   4.420  -9.416
  616   2HH1  ARG  78          HH12      ARG  78  11.127   4.786 -11.002
  617   1HH2  ARG  78          HH21      ARG  78  12.214   8.002 -10.168
  618   2HH2  ARG  78          HH22      ARG  78  12.084   6.822 -11.430
  619    H    LEU  79           HN       LEU  79   6.759   5.526  -3.198
  620    HA   LEU  79           HA       LEU  79   6.916   2.829  -2.279
  621   1HB   LEU  79          HB2       LEU  79   4.729   4.377  -1.135
  622   2HB   LEU  79          HB1       LEU  79   6.044   3.550  -0.345
  623    HG   LEU  79           HG       LEU  79   6.958   6.063  -1.543
  624   1HD1  LEU  79          HD11      LEU  79   4.332   6.078  -0.444
  625   2HD1  LEU  79          HD12      LEU  79   5.325   7.454  -0.911
  626   3HD1  LEU  79          HD13      LEU  79   5.402   6.827   0.733
  627   1HD2  LEU  79          HD21      LEU  79   6.819   5.419   1.372
  628   2HD2  LEU  79          HD22      LEU  79   8.078   6.252   0.459
  629   3HD2  LEU  79          HD23      LEU  79   7.903   4.504   0.330
  630    H    ILE  80           HN       ILE  80   4.894   4.643  -4.363
  631    HA   ILE  80           HA       ILE  80   2.433   3.655  -4.111
  632    HB   ILE  80           HB       ILE  80   3.459   5.300  -5.867
  633   1HG1  ILE  80          HG12      ILE  80   1.410   5.029  -7.291
  634   2HG1  ILE  80          HG11      ILE  80   1.052   3.548  -6.409
  635   1HG2  ILE  80          HG21      ILE  80   3.301   2.783  -7.497
  636   2HG2  ILE  80          HG22      ILE  80   4.765   3.669  -7.080
  637   3HG2  ILE  80          HG23      ILE  80   3.552   4.412  -8.119
  638   1HD1  ILE  80          HD11      ILE  80  -0.224   5.477  -5.597
  639   2HD1  ILE  80          HD12      ILE  80   1.288   6.282  -5.175
  640   3HD1  ILE  80          HD13      ILE  80   0.822   4.792  -4.353
  641    H    GLY  81           HN       GLY  81   4.892   2.015  -6.120
  642   1HA   GLY  81          HA2       GLY  81   3.154  -0.286  -6.376
  643   2HA   GLY  81          HA1       GLY  81   4.769  -0.118  -7.048
  644    H    GLU  82           HN       GLU  82   4.964   0.798  -3.871
  645    HA   GLU  82           HA       GLU  82   6.309  -1.683  -3.188
  646   1HB   GLU  82          HB2       GLU  82   5.891   0.844  -1.617
  647   2HB   GLU  82          HB1       GLU  82   6.907  -0.498  -1.110
  648   1HG   GLU  82          HG2       GLU  82   7.339   1.122  -3.603
  649   2HG   GLU  82          HG1       GLU  82   8.205   1.359  -2.083
  650    H    LEU  83           HN       LEU  83   4.043   0.287  -1.300
  651    HA   LEU  83           HA       LEU  83   3.240  -1.565   0.536
  652   1HB   LEU  83          HB2       LEU  83   2.098   0.854  -0.637
  653   2HB   LEU  83          HB1       LEU  83   0.894  -0.251  -0.011
  654    HG   LEU  83           HG       LEU  83   3.211   0.819   1.595
  655   1HD1  LEU  83          HD11      LEU  83   1.895   2.700   1.255
  656   2HD1  LEU  83          HD12      LEU  83   1.227   2.034   2.745
  657   3HD1  LEU  83          HD13      LEU  83   0.399   1.771   1.212
  658   1HD2  LEU  83          HD21      LEU  83   2.401  -1.334   2.381
  659   2HD2  LEU  83          HD22      LEU  83   0.745  -0.728   2.388
  660   3HD2  LEU  83          HD23      LEU  83   1.934  -0.054   3.501
  661    H    ALA  84           HN       ALA  84   2.374  -1.382  -2.812
  662    HA   ALA  84           HA       ALA  84   0.213  -3.250  -2.591
  663   1HB   ALA  84          HB1       ALA  84   0.164  -3.146  -5.015
  664   2HB   ALA  84          HB2       ALA  84   1.683  -2.254  -5.014
  665   3HB   ALA  84          HB3       ALA  84   0.234  -1.531  -4.315
  666    H    LYS  85           HN       LYS  85   3.634  -3.377  -3.402
  667    HA   LYS  85           HA       LYS  85   3.802  -5.881  -4.541
  668   1HB   LYS  85          HB2       LYS  85   5.665  -4.276  -2.867
  669   2HB   LYS  85          HB1       LYS  85   6.067  -5.959  -3.189
  670   1HG   LYS  85          HG2       LYS  85   6.264  -5.612  -5.473
  671   2HG   LYS  85          HG1       LYS  85   5.333  -4.117  -5.426
  672   1HD   LYS  85          HD2       LYS  85   7.746  -3.730  -5.773
  673   2HD   LYS  85          HD1       LYS  85   7.149  -2.986  -4.291
  674   1HE   LYS  85          HE2       LYS  85   9.241  -4.042  -3.811
  675   2HE   LYS  85          HE1       LYS  85   7.958  -4.975  -3.041
  676   1HZ   LYS  85          HZ1       LYS  85   9.632  -6.346  -4.197
  677   2HZ   LYS  85          HZ2       LYS  85   9.162  -5.655  -5.665
  678   3HZ   LYS  85          HZ3       LYS  85   8.063  -6.586  -4.778
  679    H    GLU  86           HN       GLU  86   3.012  -5.023  -1.324
  680    HA   GLU  86           HA       GLU  86   3.428  -7.646  -0.235
  681   1HB   GLU  86          HB2       GLU  86   1.721  -5.465   0.956
  682   2HB   GLU  86          HB1       GLU  86   2.614  -6.733   1.795
  683   1HG   GLU  86          HG2       GLU  86   3.701  -4.376   0.334
  684   2HG   GLU  86          HG1       GLU  86   3.691  -4.624   2.066
  685    H    VAL  87           HN       VAL  87   0.812  -5.706  -1.499
  686    HA   VAL  87           HA       VAL  87  -1.161  -7.683  -0.910
  687    HB   VAL  87           HB       VAL  87  -1.304  -5.058  -2.379
  688   1HG1  VAL  87          HG11      VAL  87  -3.560  -7.002  -1.951
  689   2HG1  VAL  87          HG12      VAL  87  -2.859  -6.532  -3.497
  690   3HG1  VAL  87          HG13      VAL  87  -3.730  -5.347  -2.532
  691   1HG2  VAL  87          HG21      VAL  87  -1.128  -4.889   0.021
  692   2HG2  VAL  87          HG22      VAL  87  -2.478  -6.006   0.224
  693   3HG2  VAL  87          HG23      VAL  87  -2.747  -4.419  -0.499
  694    H    ARG  88           HN       ARG  88   1.050  -7.225  -3.420
  695    HA   ARG  88           HA       ARG  88  -0.545  -8.204  -5.547
  696   1HB   ARG  88          HB2       ARG  88   1.767  -6.949  -5.529
  697   2HB   ARG  88          HB1       ARG  88   2.417  -8.585  -5.516
  698   1HG   ARG  88          HG2       ARG  88   0.464  -7.596  -7.573
  699   2HG   ARG  88          HG1       ARG  88   2.217  -7.559  -7.777
  700   1HD   ARG  88          HD2       ARG  88   2.249 -10.017  -7.404
  701   2HD   ARG  88          HD1       ARG  88   0.486  -9.994  -7.377
  702    HE   ARG  88           HE       ARG  88   1.103  -8.806  -9.736
  703   1HH1  ARG  88          HH11      ARG  88   1.999 -11.822  -8.242
  704   2HH1  ARG  88          HH12      ARG  88   2.181 -12.663  -9.745
  705   1HH2  ARG  88          HH21      ARG  88   1.342  -9.903 -11.722
  706   2HH2  ARG  88          HH22      ARG  88   1.810 -11.570 -11.725
  707    H    LYS  89           HN       LYS  89   1.693  -9.831  -3.313
  708    HA   LYS  89           HA       LYS  89   1.126 -12.419  -4.465
  709   1HB   LYS  89          HB2       LYS  89   2.410 -13.339  -2.585
  710   2HB   LYS  89          HB1       LYS  89   3.312 -12.110  -3.435
  711   1HG   LYS  89          HG2       LYS  89   1.729 -11.356  -1.024
  712   2HG   LYS  89          HG1       LYS  89   3.241 -12.195  -0.806
  713   1HD   LYS  89          HD2       LYS  89   2.706  -9.434  -1.765
  714   2HD   LYS  89          HD1       LYS  89   3.935 -10.029  -0.660
  715   1HE   LYS  89          HE2       LYS  89   5.199  -9.468  -2.439
  716   2HE   LYS  89          HE1       LYS  89   4.904 -11.161  -2.814
  717   1HZ   LYS  89          HZ1       LYS  89   3.298  -8.923  -3.895
  718   2HZ   LYS  89          HZ2       LYS  89   3.303 -10.527  -4.428
  719   3HZ   LYS  89          HZ3       LYS  89   4.650  -9.548  -4.691
  720    H    GLU  90           HN       GLU  90   0.147 -10.499  -1.728
  721    HA   GLU  90           HA       GLU  90  -1.238 -12.442  -0.299
  722   1HB   GLU  90          HB2       GLU  90  -1.374  -9.458  -0.445
  723   2HB   GLU  90          HB1       GLU  90  -2.566 -10.339   0.507
  724   1HG   GLU  90          HG2       GLU  90   0.425 -10.424   0.842
  725   2HG   GLU  90          HG1       GLU  90  -0.717  -9.568   1.876
  726    H    LYS  91           HN       LYS  91  -1.968 -10.905  -3.281
  727    HA   LYS  91           HA       LYS  91  -4.718 -10.929  -3.350
  728   1HB   LYS  91          HB2       LYS  91  -4.588 -10.913  -5.677
  729   2HB   LYS  91          HB1       LYS  91  -3.111 -10.138  -5.147
  730   1HG   LYS  91          HG2       LYS  91  -1.898 -12.239  -5.528
  731   2HG   LYS  91          HG1       LYS  91  -3.391 -12.974  -6.113
  732   1HD   LYS  91          HD2       LYS  91  -3.507 -11.319  -7.907
  733   2HD   LYS  91          HD1       LYS  91  -2.021 -10.570  -7.318
  734   1HE   LYS  91          HE2       LYS  91  -0.807 -12.652  -7.744
  735   2HE   LYS  91          HE1       LYS  91  -2.292 -13.400  -8.330
  736   1HZ   LYS  91          HZ1       LYS  91  -0.930 -11.057  -9.546
  737   2HZ   LYS  91          HZ2       LYS  91  -2.369 -11.750 -10.103
  738   3HZ   LYS  91          HZ3       LYS  91  -0.928 -12.634 -10.160
  739    H    ALA  92           HN       ALA  92  -2.542 -13.577  -4.230
  740    HA   ALA  92           HA       ALA  92  -4.734 -15.465  -4.362
  741   1HB   ALA  92          HB1       ALA  92  -2.991 -17.099  -4.967
  742   2HB   ALA  92          HB2       ALA  92  -1.762 -15.863  -4.696
  743   3HB   ALA  92          HB3       ALA  92  -2.949 -15.660  -5.985
  744    H    LEU  93           HN       LEU  93  -2.495 -14.406  -1.963
  745    HA   LEU  93           HA       LEU  93  -2.622 -16.853  -0.434
  746   1HB   LEU  93          HB2       LEU  93  -0.733 -15.027  -0.483
  747   2HB   LEU  93          HB1       LEU  93  -1.728 -14.261   0.746
  748    HG   LEU  93           HG       LEU  93  -0.972 -17.140   1.066
  749   1HD1  LEU  93          HD11      LEU  93   1.125 -15.980   0.556
  750   2HD1  LEU  93          HD12      LEU  93   1.059 -16.469   2.248
  751   3HD1  LEU  93          HD13      LEU  93   0.774 -14.786   1.805
  752   1HD2  LEU  93          HD21      LEU  93  -2.595 -16.206   2.599
  753   2HD2  LEU  93          HD22      LEU  93  -1.512 -14.866   2.978
  754   3HD2  LEU  93          HD23      LEU  93  -1.080 -16.511   3.449
  755    H    GLY  94           HN       GLY  94  -4.181 -13.688  -0.331
  756   1HA   GLY  94          HA2       GLY  94  -5.411 -13.697   2.114
  757   2HA   GLY  94          HA1       GLY  94  -6.184 -13.095   0.655
  758    H    ILE  95           HN       ILE  95  -6.363 -15.507  -0.729
  759    HA   ILE  95           HA       ILE  95  -8.766 -16.517   0.383
  760    HB   ILE  95           HB       ILE  95  -8.610 -16.473  -1.981
  761   1HG1  ILE  95          HG12      ILE  95  -8.251 -19.406  -1.392
  762   2HG1  ILE  95          HG11      ILE  95  -9.683 -18.532  -0.858
  763   1HG2  ILE  95          HG21      ILE  95  -6.369 -16.413  -2.447
  764   2HG2  ILE  95          HG22      ILE  95  -6.876 -17.965  -3.116
  765   3HG2  ILE  95          HG23      ILE  95  -6.035 -17.907  -1.564
  766   1HD1  ILE  95          HD11      ILE  95 -10.188 -17.957  -3.173
  767   2HD1  ILE  95          HD12      ILE  95 -10.078 -19.702  -2.947
  768   3HD1  ILE  95          HD13      ILE  95  -8.749 -18.825  -3.705
  769    H    ARG  96           HN       ARG  96  -7.722 -17.022   2.471
  770    HA   ARG  96           HA       ARG  96  -5.936 -19.162   2.773
  771   1HB   ARG  96          HB2       ARG  96  -6.976 -17.388   4.476
  772   2HB   ARG  96          HB1       ARG  96  -8.025 -18.752   4.850
  773   1HG   ARG  96          HG2       ARG  96  -6.307 -19.000   6.372
  774   2HG   ARG  96          HG1       ARG  96  -5.809 -20.074   5.061
  775   1HD   ARG  96          HD2       ARG  96  -4.430 -18.208   4.153
  776   2HD   ARG  96          HD1       ARG  96  -4.827 -17.275   5.594
  777    HE   ARG  96           HE       ARG  96  -3.750 -19.777   6.332
  778   1HH1  ARG  96          HH11      ARG  96  -2.828 -16.704   4.978
  779   2HH1  ARG  96          HH12      ARG  96  -1.200 -16.789   5.562
  780   1HH2  ARG  96          HH21      ARG  96  -1.607 -19.899   7.106
  781   2HH2  ARG  96          HH22      ARG  96  -0.505 -18.605   6.771
  782    H    LYS  97           HN       LYS  97  -9.242 -19.065   1.911
  783    HA   LYS  97           HA       LYS  97  -9.779 -21.821   2.630
  784   1HB   LYS  97          HB2       LYS  97 -11.831 -21.137   0.940
  785   2HB   LYS  97          HB1       LYS  97 -11.856 -20.919   2.682
  786   1HG   LYS  97          HG2       LYS  97 -10.821 -18.765   0.873
  787   2HG   LYS  97          HG1       LYS  97 -12.546 -18.933   1.188
  788   1HD   LYS  97          HD2       LYS  97 -12.250 -18.578   3.512
  789   2HD   LYS  97          HD1       LYS  97 -10.497 -18.744   3.383
  790   1HE   LYS  97          HE2       LYS  97 -10.305 -16.687   2.218
  791   2HE   LYS  97          HE1       LYS  97 -12.051 -16.571   2.000
  792   1HZ   LYS  97          HZ1       LYS  97 -11.235 -15.115   3.765
  793   2HZ   LYS  97          HZ2       LYS  97 -10.648 -16.455   4.615
  794   3HZ   LYS  97          HZ3       LYS  97 -12.311 -16.274   4.366
  795    H    LYS  98           HN       LYS  98  -8.045 -22.761   1.455
  796    HA   LYS  98           HA       LYS  98  -8.444 -22.821  -1.458
  797   1HB   LYS  98          HB2       LYS  98  -6.002 -23.017   0.256
  798   2HB   LYS  98          HB1       LYS  98  -6.011 -23.822  -1.307
  799   1HG   LYS  98          HG2       LYS  98  -6.724 -20.923  -1.002
  800   2HG   LYS  98          HG1       LYS  98  -5.056 -21.463  -1.227
  801   1HD   LYS  98          HD2       LYS  98  -5.530 -22.347  -3.362
  802   2HD   LYS  98          HD1       LYS  98  -7.272 -22.295  -3.088
  803   1HE   LYS  98          HE2       LYS  98  -6.566 -20.525  -4.609
  804   2HE   LYS  98          HE1       LYS  98  -7.210 -19.858  -3.108
  805   1HZ   LYS  98          HZ1       LYS  98  -4.325 -20.181  -3.742
  806   2HZ   LYS  98          HZ2       LYS  98  -4.961 -19.497  -2.333
  807   3HZ   LYS  98          HZ3       LYS  98  -5.186 -18.727  -3.821
  808   1H    MET   1          HT1       MET   1  18.070  -3.760  -0.920
  809   2H    MET   1          HT2       MET   1  18.531  -3.678  -2.543
  810   3H    MET   1          HT3       MET   1  19.598  -4.313  -1.395
  811    HA   MET   1           HA       MET   1  18.742  -6.169  -2.486
  812   1HB   MET   1          HB2       MET   1  17.714  -5.558   0.195
  813   2HB   MET   1          HB1       MET   1  16.881  -6.855  -0.618
  814   1HG   MET   1          HG2       MET   1  18.917  -7.334   0.930
  815   2HG   MET   1          HG1       MET   1  18.729  -8.235  -0.570
  816   1HE   MET   1          HE1       MET   1  22.563  -8.064  -0.491
  817   2HE   MET   1          HE2       MET   1  21.115  -9.012  -0.156
  818   3HE   MET   1          HE3       MET   1  21.739  -7.895   1.058
  819    H    ALA   2           HN       ALA   2  16.609  -7.515  -2.735
  820    HA   ALA   2           HA       ALA   2  14.675  -5.709  -4.007
  821   1HB   ALA   2          HB1       ALA   2  15.361  -8.542  -4.744
  822   2HB   ALA   2          HB2       ALA   2  15.797  -7.084  -5.628
  823   3HB   ALA   2          HB3       ALA   2  14.109  -7.565  -5.512
  824    H    ALA   3           HN       ALA   3  12.706  -5.609  -3.198
  825    HA   ALA   3           HA       ALA   3  11.830  -7.331  -1.106
  826   1HB   ALA   3          HB1       ALA   3  10.447  -5.264  -2.805
  827   2HB   ALA   3          HB2       ALA   3  10.897  -5.164  -1.102
  828   3HB   ALA   3          HB3       ALA   3   9.579  -6.223  -1.607
  829    H    GLU   4           HN       GLU   4  11.795  -9.474  -1.776
  830    HA   GLU   4           HA       GLU   4  10.953 -10.278  -4.353
  831   1HB   GLU   4          HB2       GLU   4  11.415 -11.737  -1.784
  832   2HB   GLU   4          HB1       GLU   4  10.770 -12.574  -3.185
  833   1HG   GLU   4          HG2       GLU   4  13.457 -11.352  -2.755
  834   2HG   GLU   4          HG1       GLU   4  13.020 -12.982  -3.270
  835    H    THR   5           HN       THR   5   9.389 -11.334  -1.335
  836    HA   THR   5           HA       THR   5   6.829 -11.003  -2.725
  837    HB   THR   5           HB       THR   5   7.491 -12.948  -0.515
  838    HG1  THR   5           HG1      THR   5   6.861 -13.461  -3.239
  839   1HG2  THR   5          HG21      THR   5   5.010 -12.993  -2.163
  840   2HG2  THR   5          HG22      THR   5   5.107 -11.987  -0.722
  841   3HG2  THR   5          HG23      THR   5   5.324 -13.731  -0.592
  842    H    LEU   6           HN       LEU   6   6.695 -11.683   0.682
  843    HA   LEU   6           HA       LEU   6   5.364  -9.151   1.065
  844   1HB   LEU   6          HB2       LEU   6   5.801 -11.437   2.988
  845   2HB   LEU   6          HB1       LEU   6   4.778 -10.049   3.272
  846    HG   LEU   6           HG       LEU   6   3.710 -10.975   0.963
  847   1HD1  LEU   6          HD11      LEU   6   3.640 -13.299   0.878
  848   2HD1  LEU   6          HD12      LEU   6   4.264 -13.471   2.518
  849   3HD1  LEU   6          HD13      LEU   6   5.334 -12.949   1.219
  850   1HD2  LEU   6          HD21      LEU   6   3.000 -11.817   3.768
  851   2HD2  LEU   6          HD22      LEU   6   1.932 -11.898   2.366
  852   3HD2  LEU   6          HD23      LEU   6   2.487 -10.333   2.963
  853    H    THR   7           HN       THR   7   6.876  -7.558   1.103
  854    HA   THR   7           HA       THR   7   9.270  -7.717   2.690
  855    HB   THR   7           HB       THR   7   8.333  -5.030   1.937
  856    HG1  THR   7           HG1      THR   7   7.620  -5.681   0.043
  857   1HG2  THR   7          HG21      THR   7  10.531  -4.633   1.692
  858   2HG2  THR   7          HG22      THR   7  10.783  -6.086   0.713
  859   3HG2  THR   7          HG23      THR   7  10.753  -6.196   2.478
  860    H    GLU   8           HN       GLU   8   9.626  -5.656   4.187
  861    HA   GLU   8           HA       GLU   8   8.235  -6.007   6.510
  862   1HB   GLU   8          HB2       GLU   8   9.397  -3.405   5.506
  863   2HB   GLU   8          HB1       GLU   8   8.992  -3.754   7.179
  864   1HG   GLU   8          HG2       GLU   8  11.207  -4.166   7.237
  865   2HG   GLU   8          HG1       GLU   8  10.626  -5.768   6.792
  866    H    LEU   9           HN       LEU   9   7.294  -4.218   3.718
  867    HA   LEU   9           HA       LEU   9   5.374  -2.517   4.834
  868   1HB   LEU   9          HB2       LEU   9   5.368  -3.628   2.061
  869   2HB   LEU   9          HB1       LEU   9   4.764  -2.078   2.587
  870    HG   LEU   9           HG       LEU   9   7.598  -2.977   2.188
  871   1HD1  LEU   9          HD11      LEU   9   6.114  -0.511   1.313
  872   2HD1  LEU   9          HD12      LEU   9   6.428  -1.935   0.325
  873   3HD1  LEU   9          HD13      LEU   9   7.769  -0.944   0.893
  874   1HD2  LEU   9          HD21      LEU   9   8.222  -1.940   4.059
  875   2HD2  LEU   9          HD22      LEU   9   6.648  -1.180   4.273
  876   3HD2  LEU   9          HD23      LEU   9   7.841  -0.445   3.212
  877    H    GLU  10           HN       GLU  10   5.098  -5.914   3.905
  878    HA   GLU  10           HA       GLU  10   2.309  -6.051   3.592
  879   1HB   GLU  10          HB2       GLU  10   2.584  -8.424   4.519
  880   2HB   GLU  10          HB1       GLU  10   3.513  -8.040   3.069
  881   1HG   GLU  10          HG2       GLU  10   5.395  -8.495   4.105
  882   2HG   GLU  10          HG1       GLU  10   5.016  -7.349   5.383
  883    H    ALA  11           HN       ALA  11   4.333  -5.751   6.415
  884    HA   ALA  11           HA       ALA  11   2.434  -6.351   8.397
  885   1HB   ALA  11          HB1       ALA  11   4.326  -4.161   8.982
  886   2HB   ALA  11          HB2       ALA  11   5.054  -5.674   8.450
  887   3HB   ALA  11          HB3       ALA  11   4.010  -5.651   9.872
  888    H    ALA  12           HN       ALA  12   3.110  -3.533   6.457
  889    HA   ALA  12           HA       ALA  12   1.384  -1.738   7.822
  890   1HB   ALA  12          HB1       ALA  12   3.215  -1.005   6.326
  891   2HB   ALA  12          HB2       ALA  12   1.658  -0.289   5.907
  892   3HB   ALA  12          HB3       ALA  12   2.302  -1.624   4.950
  893    H    ILE  13           HN       ILE  13   1.010  -4.008   5.150
  894    HA   ILE  13           HA       ILE  13  -1.488  -3.275   4.230
  895    HB   ILE  13           HB       ILE  13  -0.133  -5.947   4.365
  896   1HG1  ILE  13          HG12      ILE  13   0.049  -5.697   1.990
  897   2HG1  ILE  13          HG11      ILE  13  -1.087  -4.352   1.991
  898   1HG2  ILE  13          HG21      ILE  13  -2.885  -5.460   3.234
  899   2HG2  ILE  13          HG22      ILE  13  -2.494  -6.473   4.623
  900   3HG2  ILE  13          HG23      ILE  13  -1.933  -6.929   3.014
  901   1HD1  ILE  13          HD11      ILE  13   0.523  -2.975   3.180
  902   2HD1  ILE  13          HD12      ILE  13   1.199  -3.597   1.678
  903   3HD1  ILE  13          HD13      ILE  13   1.655  -4.319   3.210
  904    H    GLU  14           HN       GLU  14  -0.540  -4.707   7.225
  905    HA   GLU  14           HA       GLU  14  -2.994  -5.837   8.016
  906   1HB   GLU  14          HB2       GLU  14  -0.765  -4.732   9.733
  907   2HB   GLU  14          HB1       GLU  14  -2.054  -5.792  10.284
  908   1HG   GLU  14          HG2       GLU  14  -1.242  -7.535   8.746
  909   2HG   GLU  14          HG1       GLU  14   0.085  -6.474   8.278
  910    H    THR  15           HN       THR  15  -1.660  -2.555   8.357
  911    HA   THR  15           HA       THR  15  -3.642  -1.616  10.091
  912    HB   THR  15           HB       THR  15  -1.955  -0.098   8.106
  913    HG1  THR  15           HG1      THR  15  -0.845   0.451  10.165
  914   1HG2  THR  15          HG21      THR  15  -2.468   1.886   9.479
  915   2HG2  THR  15          HG22      THR  15  -3.593   0.917  10.431
  916   3HG2  THR  15          HG23      THR  15  -3.910   1.210   8.721
  917    H    VAL  16           HN       VAL  16  -3.146  -1.127   6.650
  918    HA   VAL  16           HA       VAL  16  -5.510   0.150   5.994
  919    HB   VAL  16           HB       VAL  16  -3.642  -0.046   4.450
  920   1HG1  VAL  16          HG11      VAL  16  -3.061  -2.112   3.383
  921   2HG1  VAL  16          HG12      VAL  16  -4.370  -2.954   4.198
  922   3HG1  VAL  16          HG13      VAL  16  -3.006  -2.335   5.128
  923   1HG2  VAL  16          HG21      VAL  16  -6.358  -0.874   3.668
  924   2HG2  VAL  16          HG22      VAL  16  -5.093  -1.252   2.502
  925   3HG2  VAL  16          HG23      VAL  16  -5.328   0.402   3.039
  926    H    VAL  17           HN       VAL  17  -4.827  -3.333   6.055
  927    HA   VAL  17           HA       VAL  17  -7.408  -4.061   5.134
  928    HB   VAL  17           HB       VAL  17  -5.432  -5.501   4.867
  929   1HG1  VAL  17          HG11      VAL  17  -5.767  -6.355   7.717
  930   2HG1  VAL  17          HG12      VAL  17  -4.682  -5.034   7.291
  931   3HG1  VAL  17          HG13      VAL  17  -4.416  -6.642   6.622
  932   1HG2  VAL  17          HG21      VAL  17  -6.580  -7.605   5.305
  933   2HG2  VAL  17          HG22      VAL  17  -7.696  -6.405   4.653
  934   3HG2  VAL  17          HG23      VAL  17  -7.709  -6.776   6.377
  935    H    SER  18           HN       SER  18  -5.898  -3.875   8.317
  936    HA   SER  18           HA       SER  18  -8.246  -4.866   9.645
  937   1HB   SER  18          HB2       SER  18  -5.736  -3.610  10.779
  938   2HB   SER  18          HB1       SER  18  -6.993  -4.408  11.724
  939    HG   SER  18           HG       SER  18  -5.737  -6.079  11.384
  940    H    THR  19           HN       THR  19  -7.321  -1.838   8.447
  941    HA   THR  19           HA       THR  19  -8.858  -0.361  10.406
  942    HB   THR  19           HB       THR  19  -8.352   1.655   9.032
  943    HG1  THR  19           HG1      THR  19  -7.234  -0.292   7.365
  944   1HG2  THR  19          HG21      THR  19  -5.736   1.327   9.392
  945   2HG2  THR  19          HG22      THR  19  -6.305  -0.076  10.297
  946   3HG2  THR  19          HG23      THR  19  -6.855   1.541  10.737
  947    H    PHE  20           HN       PHE  20  -9.022   0.274   6.964
  948    HA   PHE  20           HA       PHE  20 -11.847   0.674   7.122
  949   1HB   PHE  20          HB2       PHE  20 -10.884   2.247   5.767
  950   2HB   PHE  20          HB1       PHE  20  -9.673   1.133   5.157
  951    HD1  PHE  20           HD1      PHE  20  -9.779   1.283   2.871
  952    HD2  PHE  20           HD2      PHE  20 -13.379   0.890   5.099
  953    HE1  PHE  20           HE1      PHE  20 -11.039   1.031   0.777
  954    HE2  PHE  20           HE2      PHE  20 -14.644   0.645   3.013
  955    HZ   PHE  20           HZ       PHE  20 -13.474   0.709   0.851
  956    H    PHE  21           HN       PHE  21  -9.770  -1.592   5.348
  957    HA   PHE  21           HA       PHE  21 -11.750  -2.828   3.927
  958   1HB   PHE  21          HB2       PHE  21  -9.230  -4.046   5.049
  959   2HB   PHE  21          HB1       PHE  21 -10.202  -4.740   3.774
  960    HD1  PHE  21           HD1      PHE  21 -10.534  -1.518   2.948
  961    HD2  PHE  21           HD2      PHE  21  -7.444  -4.430   3.234
  962    HE1  PHE  21           HE1      PHE  21  -9.208  -0.277   1.301
  963    HE2  PHE  21           HE2      PHE  21  -6.113  -3.189   1.592
  964    HZ   PHE  21           HZ       PHE  21  -6.995  -1.105   0.613
  965    H    THR  22           HN       THR  22 -11.187  -2.998   7.291
  966    HA   THR  22           HA       THR  22 -12.109  -5.437   8.070
  967    HB   THR  22           HB       THR  22 -12.989  -4.379  10.083
  968    HG1  THR  22           HG1      THR  22 -13.460  -2.350   8.457
  969   1HG2  THR  22          HG21      THR  22 -10.965  -3.297  10.800
  970   2HG2  THR  22          HG22      THR  22 -10.476  -3.036   9.123
  971   3HG2  THR  22          HG23      THR  22 -10.559  -4.673   9.775
  972    H    PHE  23           HN       PHE  23 -13.931  -2.915   6.535
  973    HA   PHE  23           HA       PHE  23 -16.474  -3.754   7.382
  974   1HB   PHE  23          HB2       PHE  23 -17.266  -2.026   6.226
  975   2HB   PHE  23          HB1       PHE  23 -15.591  -1.575   6.092
  976    HD1  PHE  23           HD1      PHE  23 -14.750  -1.016   4.093
  977    HD2  PHE  23           HD2      PHE  23 -18.203  -3.486   4.208
  978    HE1  PHE  23           HE1      PHE  23 -14.992  -0.785   1.676
  979    HE2  PHE  23           HE2      PHE  23 -18.442  -3.274   1.787
  980    HZ   PHE  23           HZ       PHE  23 -16.847  -1.903   0.533
  981    H    ALA  24           HN       ALA  24 -14.336  -5.404   5.427
  982    HA   ALA  24           HA       ALA  24 -15.834  -6.629   3.473
  983   1HB   ALA  24          HB1       ALA  24 -13.369  -7.071   4.494
  984   2HB   ALA  24          HB2       ALA  24 -14.176  -8.193   3.399
  985   3HB   ALA  24          HB3       ALA  24 -14.223  -8.472   5.139
  986    H    GLY  25           HN       GLY  25 -15.775  -7.241   6.906
  987   1HA   GLY  25          HA2       GLY  25 -17.373  -9.522   7.006
  988   2HA   GLY  25          HA1       GLY  25 -17.232  -8.327   8.303
  989    H    ARG  26           HN       ARG  26 -18.192  -6.273   6.183
  990    HA   ARG  26           HA       ARG  26 -20.751  -5.801   6.872
  991   1HB   ARG  26          HB2       ARG  26 -19.651  -4.314   5.341
  992   2HB   ARG  26          HB1       ARG  26 -19.481  -5.580   4.135
  993   1HG   ARG  26          HG2       ARG  26 -21.201  -4.175   3.369
  994   2HG   ARG  26          HG1       ARG  26 -22.006  -5.613   3.999
  995   1HD   ARG  26          HD2       ARG  26 -22.358  -4.397   6.138
  996   2HD   ARG  26          HD1       ARG  26 -21.684  -2.965   5.369
  997    HE   ARG  26           HE       ARG  26 -23.718  -3.743   3.718
  998   1HH1  ARG  26          HH11      ARG  26 -23.438  -2.909   7.088
  999   2HH1  ARG  26          HH12      ARG  26 -25.052  -2.290   7.204
 1000   1HH2  ARG  26          HH21      ARG  26 -25.845  -2.924   3.858
 1001   2HH2  ARG  26          HH22      ARG  26 -26.420  -2.300   5.367
 1002    H    GLU  27           HN       GLU  27 -19.888  -7.633   3.975
 1003    HA   GLU  27           HA       GLU  27 -22.005  -9.573   4.609
 1004   1HB   GLU  27          HB2       GLU  27 -22.653  -9.495   2.120
 1005   2HB   GLU  27          HB1       GLU  27 -23.251  -8.211   3.162
 1006   1HG   GLU  27          HG2       GLU  27 -21.608  -6.687   2.348
 1007   2HG   GLU  27          HG1       GLU  27 -20.784  -7.967   1.460
 1008    H    GLY  28           HN       GLY  28 -20.278 -10.968   5.087
 1009   1HA   GLY  28          HA2       GLY  28 -19.216 -12.290   2.741
 1010   2HA   GLY  28          HA1       GLY  28 -18.014 -11.546   3.775
 1011    H    ARG  29           HN       ARG  29 -17.584 -13.976   3.444
 1012    HA   ARG  29           HA       ARG  29 -18.045 -15.191   6.025
 1013   1HB   ARG  29          HB2       ARG  29 -19.838 -16.274   4.868
 1014   2HB   ARG  29          HB1       ARG  29 -18.872 -16.474   3.413
 1015   1HG   ARG  29          HG2       ARG  29 -17.395 -18.031   4.747
 1016   2HG   ARG  29          HG1       ARG  29 -18.629 -17.970   6.010
 1017   1HD   ARG  29          HD2       ARG  29 -19.044 -18.873   3.163
 1018   2HD   ARG  29          HD1       ARG  29 -18.906 -19.925   4.570
 1019    HE   ARG  29           HE       ARG  29 -20.990 -18.071   4.974
 1020   1HH1  ARG  29          HH11      ARG  29 -20.200 -20.894   3.094
 1021   2HH1  ARG  29          HH12      ARG  29 -21.845 -21.419   2.948
 1022   1HH2  ARG  29          HH21      ARG  29 -23.162 -18.756   4.791
 1023   2HH2  ARG  29          HH22      ARG  29 -23.527 -20.204   3.912
 1024    H    LYS  30           HN       LYS  30 -16.960 -16.207   2.860
 1025    HA   LYS  30           HA       LYS  30 -14.159 -16.116   3.664
 1026   1HB   LYS  30          HB2       LYS  30 -15.622 -18.543   2.607
 1027   2HB   LYS  30          HB1       LYS  30 -13.878 -18.373   2.484
 1028   1HG   LYS  30          HG2       LYS  30 -13.697 -18.265   4.905
 1029   2HG   LYS  30          HG1       LYS  30 -15.453 -18.371   5.052
 1030   1HD   LYS  30          HD2       LYS  30 -15.429 -20.584   4.054
 1031   2HD   LYS  30          HD1       LYS  30 -13.686 -20.474   3.798
 1032   1HE   LYS  30          HE2       LYS  30 -15.083 -20.446   6.472
 1033   2HE   LYS  30          HE1       LYS  30 -14.233 -21.822   5.769
 1034   1HZ   LYS  30          HZ1       LYS  30 -12.850 -20.658   7.365
 1035   2HZ   LYS  30          HZ2       LYS  30 -13.004 -19.218   6.493
 1036   3HZ   LYS  30          HZ3       LYS  30 -12.188 -20.534   5.813
 1037    H    GLY  31           HN       GLY  31 -15.689 -14.367   2.094
 1038   1HA   GLY  31          HA2       GLY  31 -14.597 -14.895  -0.585
 1039   2HA   GLY  31          HA1       GLY  31 -16.235 -14.279  -0.380
 1040    H    SER  32           HN       SER  32 -16.513 -12.025  -0.095
 1041    HA   SER  32           HA       SER  32 -14.071 -10.567   0.404
 1042   1HB   SER  32          HB2       SER  32 -14.893  -9.069  -1.664
 1043   2HB   SER  32          HB1       SER  32 -13.687 -10.343  -1.750
 1044    HG   SER  32           HG       SER  32 -15.599 -10.352  -3.273
 1045    H    LEU  33           HN       LEU  33 -14.286  -8.240   0.113
 1046    HA   LEU  33           HA       LEU  33 -16.463  -7.161   1.690
 1047   1HB   LEU  33          HB2       LEU  33 -14.266  -6.462   2.420
 1048   2HB   LEU  33          HB1       LEU  33 -13.781  -6.142   0.794
 1049    HG   LEU  33           HG       LEU  33 -16.009  -4.504   1.777
 1050   1HD1  LEU  33          HD11      LEU  33 -14.955  -4.012   3.694
 1051   2HD1  LEU  33          HD12      LEU  33 -13.917  -3.030   2.663
 1052   3HD1  LEU  33          HD13      LEU  33 -13.416  -4.651   3.139
 1053   1HD2  LEU  33          HD21      LEU  33 -15.076  -4.241  -0.463
 1054   2HD2  LEU  33          HD22      LEU  33 -13.487  -3.945   0.221
 1055   3HD2  LEU  33          HD23      LEU  33 -14.779  -2.799   0.498
 1056    H    ASN  34           HN       ASN  34 -17.596  -5.200   0.785
 1057    HA   ASN  34           HA       ASN  34 -17.360  -5.235  -2.123
 1058   1HB   ASN  34          HB2       ASN  34 -19.398  -6.368  -1.116
 1059   2HB   ASN  34          HB1       ASN  34 -19.909  -4.771  -0.575
 1060   1HD2  ASN  34          HD21      ASN  34 -19.275  -6.805  -3.348
 1061   2HD2  ASN  34          HD22      ASN  34 -20.206  -5.892  -4.481
 1062    H    ILE  35           HN       ILE  35 -19.637  -3.043  -1.454
 1063    HA   ILE  35           HA       ILE  35 -17.800  -0.923  -0.802
 1064    HB   ILE  35           HB       ILE  35 -18.961   0.474  -2.626
 1065   1HG1  ILE  35          HG12      ILE  35 -20.438  -1.540  -3.253
 1066   2HG1  ILE  35          HG11      ILE  35 -19.706  -0.617  -4.558
 1067   1HG2  ILE  35          HG21      ILE  35 -17.063  -0.989  -4.103
 1068   2HG2  ILE  35          HG22      ILE  35 -16.545  -0.985  -2.427
 1069   3HG2  ILE  35          HG23      ILE  35 -16.851   0.535  -3.262
 1070   1HD1  ILE  35          HD11      ILE  35 -19.693  -3.188  -4.654
 1071   2HD1  ILE  35          HD12      ILE  35 -18.349  -3.059  -3.525
 1072   3HD1  ILE  35          HD13      ILE  35 -18.244  -2.296  -5.105
 1073    H    ASN  36           HN       ASN  36 -19.995  -2.173   0.607
 1074    HA   ASN  36           HA       ASN  36 -22.120  -0.221   0.588
 1075   1HB   ASN  36          HB2       ASN  36 -22.610  -2.603   1.102
 1076   2HB   ASN  36          HB1       ASN  36 -21.602  -2.477   2.542
 1077   1HD2  ASN  36          HD21      ASN  36 -22.287  -1.095   4.244
 1078   2HD2  ASN  36          HD22      ASN  36 -23.960  -0.713   4.444
 1079    H    GLU  37           HN       GLU  37 -19.901  -1.392   3.148
 1080    HA   GLU  37           HA       GLU  37 -20.263   1.079   4.543
 1081   1HB   GLU  37          HB2       GLU  37 -17.923  -0.650   5.077
 1082   2HB   GLU  37          HB1       GLU  37 -18.882   0.282   6.201
 1083   1HG   GLU  37          HG2       GLU  37 -20.783  -1.311   5.568
 1084   2HG   GLU  37          HG1       GLU  37 -19.507  -2.355   4.950
 1085    H    PHE  38           HN       PHE  38 -18.132   0.014   2.003
 1086    HA   PHE  38           HA       PHE  38 -16.033   1.788   2.169
 1087   1HB   PHE  38          HB2       PHE  38 -16.564   0.060   0.356
 1088   2HB   PHE  38          HB1       PHE  38 -17.629   1.252  -0.363
 1089    HD1  PHE  38           HD1      PHE  38 -16.004   3.701  -0.222
 1090    HD2  PHE  38           HD2      PHE  38 -14.874  -0.297  -1.096
 1091    HE1  PHE  38           HE1      PHE  38 -14.098   4.537  -1.528
 1092    HE2  PHE  38           HE2      PHE  38 -12.962   0.525  -2.406
 1093    HZ   PHE  38           HZ       PHE  38 -12.571   2.947  -2.623
 1094    H    LYS  39           HN       LYS  39 -19.397   2.225   1.407
 1095    HA   LYS  39           HA       LYS  39 -19.416   4.818   0.416
 1096   1HB   LYS  39          HB2       LYS  39 -21.543   3.544   2.115
 1097   2HB   LYS  39          HB1       LYS  39 -21.771   4.854   0.964
 1098   1HG   LYS  39          HG2       LYS  39 -20.526   2.533  -0.196
 1099   2HG   LYS  39          HG1       LYS  39 -22.109   2.169   0.489
 1100   1HD   LYS  39          HD2       LYS  39 -21.546   4.417  -1.446
 1101   2HD   LYS  39          HD1       LYS  39 -22.211   2.846  -1.898
 1102   1HE   LYS  39          HE2       LYS  39 -23.465   4.828  -0.002
 1103   2HE   LYS  39          HE1       LYS  39 -23.976   4.515  -1.661
 1104   1HZ   LYS  39          HZ1       LYS  39 -25.374   3.338  -0.100
 1105   2HZ   LYS  39          HZ2       LYS  39 -24.031   2.562   0.577
 1106   3HZ   LYS  39          HZ3       LYS  39 -24.482   2.230  -1.019
 1107    H    GLU  40           HN       GLU  40 -18.811   3.691   3.538
 1108    HA   GLU  40           HA       GLU  40 -19.432   6.139   4.894
 1109   1HB   GLU  40          HB2       GLU  40 -19.032   4.985   6.845
 1110   2HB   GLU  40          HB1       GLU  40 -19.395   3.630   5.788
 1111   1HG   GLU  40          HG2       GLU  40 -16.852   3.506   5.418
 1112   2HG   GLU  40          HG1       GLU  40 -16.742   4.536   6.842
 1113    H    LEU  41           HN       LEU  41 -17.112   5.361   2.710
 1114    HA   LEU  41           HA       LEU  41 -14.818   6.367   4.078
 1115   1HB   LEU  41          HB2       LEU  41 -15.260   5.655   1.186
 1116   2HB   LEU  41          HB1       LEU  41 -13.717   6.098   1.880
 1117    HG   LEU  41           HG       LEU  41 -14.888   3.564   1.604
 1118   1HD1  LEU  41          HD11      LEU  41 -12.624   3.647   1.279
 1119   2HD1  LEU  41          HD12      LEU  41 -12.663   3.008   2.921
 1120   3HD1  LEU  41          HD13      LEU  41 -12.360   4.720   2.652
 1121   1HD2  LEU  41          HD21      LEU  41 -16.031   3.611   3.659
 1122   2HD2  LEU  41          HD22      LEU  41 -14.704   4.433   4.477
 1123   3HD2  LEU  41          HD23      LEU  41 -14.533   2.745   4.003
 1124    H    ALA  42           HN       ALA  42 -15.707   7.365   0.814
 1125    HA   ALA  42           HA       ALA  42 -14.710   9.903   0.879
 1126   1HB   ALA  42          HB1       ALA  42 -16.657  10.485  -0.703
 1127   2HB   ALA  42          HB2       ALA  42 -17.034   8.775  -0.566
 1128   3HB   ALA  42          HB3       ALA  42 -15.472   9.275  -1.184
 1129    H    THR  43           HN       THR  43 -17.731   8.766   2.089
 1130    HA   THR  43           HA       THR  43 -19.003  11.110   2.719
 1131    HB   THR  43           HB       THR  43 -19.965   9.718   4.690
 1132    HG1  THR  43           HG1      THR  43 -18.780   7.625   3.162
 1133   1HG2  THR  43          HG21      THR  43 -20.244   8.949   1.791
 1134   2HG2  THR  43          HG22      THR  43 -21.204  10.135   2.673
 1135   3HG2  THR  43          HG23      THR  43 -21.342   8.420   3.064
 1136    H    GLN  44           HN       GLN  44 -17.030   9.124   4.915
 1137    HA   GLN  44           HA       GLN  44 -16.813  11.255   6.847
 1138   1HB   GLN  44          HB2       GLN  44 -15.662   8.465   6.717
 1139   2HB   GLN  44          HB1       GLN  44 -15.338   9.579   8.044
 1140   1HG   GLN  44          HG2       GLN  44 -17.718   9.677   8.555
 1141   2HG   GLN  44          HG1       GLN  44 -18.058   8.589   7.210
 1142   1HE2  GLN  44          HE21      GLN  44 -18.613   8.275  10.053
 1143   2HE2  GLN  44          HE22      GLN  44 -17.827   6.815  10.539
 1144    H    GLN  45           HN       GLN  45 -14.553   9.570   4.650
 1145    HA   GLN  45           HA       GLN  45 -12.310  11.165   5.360
 1146   1HB   GLN  45          HB2       GLN  45 -11.263  10.080   3.442
 1147   2HB   GLN  45          HB1       GLN  45 -12.135   8.931   4.450
 1148   1HG   GLN  45          HG2       GLN  45 -13.171   8.200   2.670
 1149   2HG   GLN  45          HG1       GLN  45 -13.966   9.767   2.573
 1150   1HE2  GLN  45          HE21      GLN  45 -11.273   7.862   1.423
 1151   2HE2  GLN  45          HE22      GLN  45 -10.987   8.778  -0.015
 1152    H    LEU  46           HN       LEU  46 -15.103  11.953   3.667
 1153    HA   LEU  46           HA       LEU  46 -14.576  13.301   1.429
 1154   1HB   LEU  46          HB2       LEU  46 -16.557  13.531   3.479
 1155   2HB   LEU  46          HB1       LEU  46 -16.070  15.147   3.015
 1156    HG   LEU  46           HG       LEU  46 -17.365  13.042   1.296
 1157   1HD1  LEU  46          HD11      LEU  46 -18.078  15.907   1.879
 1158   2HD1  LEU  46          HD12      LEU  46 -18.795  14.500   2.663
 1159   3HD1  LEU  46          HD13      LEU  46 -19.020  14.754   0.933
 1160   1HD2  LEU  46          HD21      LEU  46 -15.618  13.890  -0.080
 1161   2HD2  LEU  46          HD22      LEU  46 -15.929  15.542   0.444
 1162   3HD2  LEU  46          HD23      LEU  46 -17.106  14.702  -0.563
 1163    HA   PRO  47           HA       PRO  47 -12.420  16.911   3.381
 1164   1HB   PRO  47          HB2       PRO  47 -12.709  17.644   5.901
 1165   2HB   PRO  47          HB1       PRO  47 -14.046  17.887   4.771
 1166   1HG   PRO  47          HG2       PRO  47 -13.711  15.827   6.899
 1167   2HG   PRO  47          HG1       PRO  47 -15.193  16.606   6.319
 1168   1HD   PRO  47          HD2       PRO  47 -14.162  14.065   5.534
 1169   2HD   PRO  47          HD1       PRO  47 -15.538  14.931   4.831
 1170    H    HIS  48           HN       HIS  48 -10.645  15.576   3.093
 1171    HA   HIS  48           HA       HIS  48  -9.371  14.557   5.494
 1172   1HB   HIS  48          HB2       HIS  48  -9.642  13.650   2.915
 1173   2HB   HIS  48          HB1       HIS  48  -7.935  14.134   3.016
 1174    HD1  HIS  48           HD1      HIS  48  -6.448  12.829   4.733
 1175    HD2  HIS  48           HD2      HIS  48 -10.359  11.455   4.461
 1176    HE1  HIS  48           HE1      HIS  48  -6.487  10.649   5.984
 1177    HE2  HIS  48           HE2      HIS  48  -8.878   9.875   5.872
 1178    H    LEU  49           HN       LEU  49  -6.686  14.840   4.394
 1179    HA   LEU  49           HA       LEU  49  -6.262  17.606   5.100
 1180   1HB   LEU  49          HB2       LEU  49  -4.707  15.832   5.867
 1181   2HB   LEU  49          HB1       LEU  49  -4.257  15.512   4.209
 1182    HG   LEU  49           HG       LEU  49  -2.590  16.866   5.451
 1183   1HD1  LEU  49          HD11      LEU  49  -3.794  18.544   3.275
 1184   2HD1  LEU  49          HD12      LEU  49  -2.989  17.012   2.939
 1185   3HD1  LEU  49          HD13      LEU  49  -2.096  18.331   3.696
 1186   1HD2  LEU  49          HD21      LEU  49  -3.107  19.213   5.944
 1187   2HD2  LEU  49          HD22      LEU  49  -4.101  18.103   6.888
 1188   3HD2  LEU  49          HD23      LEU  49  -4.787  18.928   5.490
 1189    H    LEU  50           HN       LEU  50  -4.593  15.963   2.439
 1190    HA   LEU  50           HA       LEU  50  -5.184  18.191   0.670
 1191   1HB   LEU  50          HB2       LEU  50  -2.908  17.165   0.776
 1192   2HB   LEU  50          HB1       LEU  50  -3.586  15.682   0.131
 1193    HG   LEU  50           HG       LEU  50  -4.227  16.905  -1.932
 1194   1HD1  LEU  50          HD11      LEU  50  -4.426  19.137  -0.992
 1195   2HD1  LEU  50          HD12      LEU  50  -3.280  19.125  -2.332
 1196   3HD1  LEU  50          HD13      LEU  50  -2.693  19.172  -0.669
 1197   1HD2  LEU  50          HD21      LEU  50  -1.949  17.127  -2.820
 1198   2HD2  LEU  50          HD22      LEU  50  -2.144  15.659  -1.861
 1199   3HD2  LEU  50          HD23      LEU  50  -1.310  17.056  -1.178
 1200    H    LYS  51           HN       LYS  51  -7.530  17.012   1.286
 1201    HA   LYS  51           HA       LYS  51  -8.185  14.849  -0.460
 1202   1HB   LYS  51          HB2       LYS  51  -9.074  15.562   1.912
 1203   2HB   LYS  51          HB1       LYS  51 -10.190  16.516   0.967
 1204   1HG   LYS  51          HG2       LYS  51 -11.014  14.263   1.696
 1205   2HG   LYS  51          HG1       LYS  51 -11.135  14.566  -0.035
 1206   1HD   LYS  51          HD2       LYS  51  -9.373  13.140  -0.522
 1207   2HD   LYS  51          HD1       LYS  51  -8.726  13.219   1.118
 1208   1HE   LYS  51          HE2       LYS  51 -11.187  12.167   1.563
 1209   2HE   LYS  51          HE1       LYS  51 -10.802  11.493  -0.014
 1210   1HZ   LYS  51          HZ1       LYS  51  -8.840  10.509   0.819
 1211   2HZ   LYS  51          HZ2       LYS  51 -10.070  10.119   1.911
 1212   3HZ   LYS  51          HZ3       LYS  51  -8.956  11.332   2.292
 1213    H    ASP  52           HN       ASP  52 -10.303  15.077  -1.676
 1214    HA   ASP  52           HA       ASP  52 -10.347  17.596  -3.186
 1215   1HB   ASP  52          HB2       ASP  52  -9.273  15.886  -4.541
 1216   2HB   ASP  52          HB1       ASP  52 -10.611  14.777  -4.258
 1217    H    VAL  53           HN       VAL  53 -12.049  16.006  -0.973
 1218    HA   VAL  53           HA       VAL  53 -14.238  15.829  -0.422
 1219    HB   VAL  53           HB       VAL  53 -14.405  18.114  -2.373
 1220   1HG1  VAL  53          HG11      VAL  53 -16.624  17.120  -2.074
 1221   2HG1  VAL  53          HG12      VAL  53 -16.533  18.704  -1.308
 1222   3HG1  VAL  53          HG13      VAL  53 -16.445  17.244  -0.325
 1223   1HG2  VAL  53          HG21      VAL  53 -14.241  18.087   0.633
 1224   2HG2  VAL  53          HG22      VAL  53 -14.381  19.523  -0.382
 1225   3HG2  VAL  53          HG23      VAL  53 -12.937  18.515  -0.473
 1226    H    GLY  54           HN       GLY  54 -14.250  13.754  -1.440
 1227   1HA   GLY  54          HA2       GLY  54 -14.839  13.004  -3.959
 1228   2HA   GLY  54          HA1       GLY  54 -15.443  12.150  -2.552
 1229    H    SER  55           HN       SER  55 -16.292  13.497  -5.361
 1230    HA   SER  55           HA       SER  55 -18.829  14.623  -4.612
 1231   1HB   SER  55          HB2       SER  55 -17.333  15.205  -6.625
 1232   2HB   SER  55          HB1       SER  55 -18.014  13.761  -7.379
 1233    HG   SER  55           HG       SER  55 -19.758  14.851  -7.780
 1234    H    LEU  56           HN       LEU  56 -20.763  13.574  -4.566
 1235    HA   LEU  56           HA       LEU  56 -21.017  10.944  -4.031
 1236   1HB   LEU  56          HB2       LEU  56 -22.827  12.598  -3.815
 1237   2HB   LEU  56          HB1       LEU  56 -23.036  12.594  -5.554
 1238    HG   LEU  56           HG       LEU  56 -23.665  10.185  -5.423
 1239   1HD1  LEU  56          HD11      LEU  56 -24.313   9.320  -3.189
 1240   2HD1  LEU  56          HD12      LEU  56 -23.526  10.720  -2.462
 1241   3HD1  LEU  56          HD13      LEU  56 -22.576   9.554  -3.382
 1242   1HD2  LEU  56          HD21      LEU  56 -25.346  12.044  -3.744
 1243   2HD2  LEU  56          HD22      LEU  56 -25.900  10.584  -4.564
 1244   3HD2  LEU  56          HD23      LEU  56 -25.351  11.969  -5.506
 1245    H    ASP  57           HN       ASP  57 -21.152  12.314  -7.297
 1246    HA   ASP  57           HA       ASP  57 -21.819  10.050  -8.732
 1247   1HB   ASP  57          HB2       ASP  57 -19.711  11.976  -9.577
 1248   2HB   ASP  57          HB1       ASP  57 -20.801  11.064 -10.620
 1249    H    GLU  58           HN       GLU  58 -18.636  11.274  -8.131
 1250    HA   GLU  58           HA       GLU  58 -17.134   9.160  -9.122
 1251   1HB   GLU  58          HB2       GLU  58 -16.473  11.545  -8.092
 1252   2HB   GLU  58          HB1       GLU  58 -16.157  10.553  -6.668
 1253   1HG   GLU  58          HG2       GLU  58 -14.623   9.170  -7.979
 1254   2HG   GLU  58          HG1       GLU  58 -14.962  10.144  -9.409
 1255    H    LYS  59           HN       LYS  59 -18.445   9.819  -5.950
 1256    HA   LYS  59           HA       LYS  59 -17.471   7.544  -4.672
 1257   1HB   LYS  59          HB2       LYS  59 -19.894   9.223  -4.044
 1258   2HB   LYS  59          HB1       LYS  59 -19.174   8.044  -2.951
 1259   1HG   LYS  59          HG2       LYS  59 -17.338   9.342  -2.538
 1260   2HG   LYS  59          HG1       LYS  59 -17.466  10.215  -4.061
 1261   1HD   LYS  59          HD2       LYS  59 -18.010  11.605  -2.097
 1262   2HD   LYS  59          HD1       LYS  59 -19.356  11.465  -3.226
 1263   1HE   LYS  59          HE2       LYS  59 -20.144   9.535  -1.732
 1264   2HE   LYS  59          HE1       LYS  59 -18.997  10.163  -0.550
 1265   1HZ   LYS  59          HZ1       LYS  59 -21.251  11.679  -1.747
 1266   2HZ   LYS  59          HZ2       LYS  59 -20.143  12.291  -0.625
 1267   3HZ   LYS  59          HZ3       LYS  59 -21.202  11.051  -0.177
 1268    H    MET  60           HN       MET  60 -20.108   8.033  -6.815
 1269    HA   MET  60           HA       MET  60 -21.540   5.647  -6.073
 1270   1HB   MET  60          HB2       MET  60 -21.826   7.708  -8.233
 1271   2HB   MET  60          HB1       MET  60 -22.734   6.206  -8.325
 1272   1HG   MET  60          HG2       MET  60 -22.821   8.104  -5.994
 1273   2HG   MET  60          HG1       MET  60 -23.981   8.095  -7.321
 1274   1HE   MET  60          HE1       MET  60 -26.118   6.582  -4.439
 1275   2HE   MET  60          HE2       MET  60 -26.052   7.781  -5.731
 1276   3HE   MET  60          HE3       MET  60 -24.954   7.904  -4.356
 1277    H    LYS  61           HN       LYS  61 -19.205   6.533  -8.519
 1278    HA   LYS  61           HA       LYS  61 -19.505   4.051  -9.997
 1279   1HB   LYS  61          HB2       LYS  61 -17.039   5.516 -10.522
 1280   2HB   LYS  61          HB1       LYS  61 -18.322   5.051 -11.623
 1281   1HG   LYS  61          HG2       LYS  61 -18.289   7.493  -9.861
 1282   2HG   LYS  61          HG1       LYS  61 -18.007   7.453 -11.605
 1283   1HD   LYS  61          HD2       LYS  61 -20.330   6.373 -11.763
 1284   2HD   LYS  61          HD1       LYS  61 -20.558   6.934 -10.107
 1285   1HE   LYS  61          HE2       LYS  61 -21.480   8.553 -11.639
 1286   2HE   LYS  61          HE1       LYS  61 -20.060   9.233 -10.850
 1287   1HZ   LYS  61          HZ1       LYS  61 -18.762   8.777 -12.812
 1288   2HZ   LYS  61          HZ2       LYS  61 -20.118   9.695 -13.238
 1289   3HZ   LYS  61          HZ3       LYS  61 -20.083   8.036 -13.568
 1290    H    THR  62           HN       THR  62 -16.981   5.556  -8.040
 1291    HA   THR  62           HA       THR  62 -15.088   3.589  -8.120
 1292    HB   THR  62           HB       THR  62 -15.795   5.194  -5.664
 1293    HG1  THR  62           HG1      THR  62 -15.423   6.498  -7.539
 1294   1HG2  THR  62          HG21      THR  62 -13.240   3.837  -6.531
 1295   2HG2  THR  62          HG22      THR  62 -14.249   3.399  -5.153
 1296   3HG2  THR  62          HG23      THR  62 -13.377   4.931  -5.155
 1297    H    LEU  63           HN       LEU  63 -18.155   3.530  -6.496
 1298    HA   LEU  63           HA       LEU  63 -17.790   1.547  -4.605
 1299   1HB   LEU  63          HB2       LEU  63 -20.045   2.586  -6.161
 1300   2HB   LEU  63          HB1       LEU  63 -20.222   0.897  -5.742
 1301    HG   LEU  63           HG       LEU  63 -19.483   2.119  -3.345
 1302   1HD1  LEU  63          HD11      LEU  63 -20.718   4.053  -5.075
 1303   2HD1  LEU  63          HD12      LEU  63 -20.074   4.250  -3.445
 1304   3HD1  LEU  63          HD13      LEU  63 -21.739   3.721  -3.676
 1305   1HD2  LEU  63          HD21      LEU  63 -22.355   1.733  -3.997
 1306   2HD2  LEU  63          HD22      LEU  63 -21.438   1.209  -2.588
 1307   3HD2  LEU  63          HD23      LEU  63 -21.291   0.335  -4.109
 1308    H    ASP  64           HN       ASP  64 -19.515   0.673  -7.556
 1309    HA   ASP  64           HA       ASP  64 -18.893  -2.000  -7.546
 1310   1HB   ASP  64          HB2       ASP  64 -19.343  -0.199  -9.929
 1311   2HB   ASP  64          HB1       ASP  64 -19.394  -1.965  -9.980
 1312    H    VAL  65           HN       VAL  65 -16.926   0.670  -8.663
 1313    HA   VAL  65           HA       VAL  65 -15.069  -0.673 -10.232
 1314    HB   VAL  65           HB       VAL  65 -14.656   1.677  -8.371
 1315   1HG1  VAL  65          HG11      VAL  65 -12.803   0.573 -10.483
 1316   2HG1  VAL  65          HG12      VAL  65 -12.500   0.650  -8.747
 1317   3HG1  VAL  65          HG13      VAL  65 -12.610   2.136  -9.689
 1318   1HG2  VAL  65          HG21      VAL  65 -16.254   1.842 -10.339
 1319   2HG2  VAL  65          HG22      VAL  65 -14.832   1.688 -11.370
 1320   3HG2  VAL  65          HG23      VAL  65 -14.971   3.049 -10.256
 1321    H    ASN  66           HN       ASN  66 -14.097   0.415  -7.009
 1322    HA   ASN  66           HA       ASN  66 -12.456  -1.945  -6.672
 1323   1HB   ASN  66          HB2       ASN  66 -12.936   0.137  -4.569
 1324   2HB   ASN  66          HB1       ASN  66 -11.512  -0.878  -4.831
 1325   1HD2  ASN  66          HD21      ASN  66 -10.032  -0.334  -6.428
 1326   2HD2  ASN  66          HD22      ASN  66  -9.997   1.234  -7.155
 1327    H    GLN  67           HN       GLN  67 -15.101  -2.746  -6.766
 1328    HA   GLN  67           HA       GLN  67 -16.519  -2.818  -4.432
 1329   1HB   GLN  67          HB2       GLN  67 -17.735  -4.611  -5.333
 1330   2HB   GLN  67          HB1       GLN  67 -17.207  -3.655  -6.702
 1331   1HG   GLN  67          HG2       GLN  67 -15.913  -6.199  -5.776
 1332   2HG   GLN  67          HG1       GLN  67 -17.087  -6.078  -7.074
 1333   1HE2  GLN  67          HE21      GLN  67 -14.027  -6.709  -6.811
 1334   2HE2  GLN  67          HE22      GLN  67 -13.346  -5.784  -8.105
 1335    H    ASP  68           HN       ASP  68 -14.163  -5.204  -5.478
 1336    HA   ASP  68           HA       ASP  68 -14.214  -6.459  -2.898
 1337   1HB   ASP  68          HB2       ASP  68 -12.820  -7.223  -5.460
 1338   2HB   ASP  68          HB1       ASP  68 -12.722  -8.135  -3.961
 1339    H    SER  69           HN       SER  69 -13.025  -3.708  -3.436
 1340    HA   SER  69           HA       SER  69 -10.314  -3.565  -3.512
 1341   1HB   SER  69          HB2       SER  69 -10.430  -1.628  -2.020
 1342   2HB   SER  69          HB1       SER  69 -11.835  -1.615  -3.085
 1343    HG   SER  69           HG       SER  69 -12.748  -1.325  -1.167
 1344    H    GLU  70           HN       GLU  70 -12.334  -4.797  -1.004
 1345    HA   GLU  70           HA       GLU  70  -9.990  -5.967   0.324
 1346   1HB   GLU  70          HB2       GLU  70 -10.877  -4.530   1.972
 1347   2HB   GLU  70          HB1       GLU  70 -12.522  -4.896   1.486
 1348   1HG   GLU  70          HG2       GLU  70 -12.094  -5.991   3.579
 1349   2HG   GLU  70          HG1       GLU  70 -12.236  -7.216   2.324
 1350    H    LEU  71           HN       LEU  71 -10.273  -8.070   1.013
 1351    HA   LEU  71           HA       LEU  71 -12.752  -9.332   0.452
 1352   1HB   LEU  71          HB2       LEU  71 -11.569 -11.110  -0.881
 1353   2HB   LEU  71          HB1       LEU  71 -11.939  -9.585  -1.664
 1354    HG   LEU  71           HG       LEU  71  -9.684 -10.437  -2.155
 1355   1HD1  LEU  71          HD11      LEU  71  -9.217  -7.951  -0.622
 1356   2HD1  LEU  71          HD12      LEU  71 -10.531  -7.920  -1.786
 1357   3HD1  LEU  71          HD13      LEU  71  -8.930  -8.255  -2.314
 1358   1HD2  LEU  71          HD21      LEU  71  -8.052 -10.682  -0.566
 1359   2HD2  LEU  71          HD22      LEU  71  -9.473 -11.388   0.179
 1360   3HD2  LEU  71          HD23      LEU  71  -8.956  -9.771   0.638
 1361    H    ARG  72           HN       ARG  72 -12.722 -11.612   0.920
 1362    HA   ARG  72           HA       ARG  72 -11.186 -12.206   3.325
 1363   1HB   ARG  72          HB2       ARG  72 -13.498 -13.809   2.297
 1364   2HB   ARG  72          HB1       ARG  72 -12.977 -13.582   3.963
 1365   1HG   ARG  72          HG2       ARG  72 -14.482 -11.684   2.200
 1366   2HG   ARG  72          HG1       ARG  72 -15.032 -12.442   3.698
 1367   1HD   ARG  72          HD2       ARG  72 -12.901 -10.340   3.376
 1368   2HD   ARG  72          HD1       ARG  72 -14.472 -10.157   4.153
 1369    HE   ARG  72           HE       ARG  72 -13.347 -12.109   5.610
 1370   1HH1  ARG  72          HH11      ARG  72 -12.166  -9.000   4.577
 1371   2HH1  ARG  72          HH12      ARG  72 -11.141  -8.788   5.958
 1372   1HH2  ARG  72          HH21      ARG  72 -12.000 -11.840   7.429
 1373   2HH2  ARG  72          HH22      ARG  72 -11.047 -10.402   7.579
 1374    H    PHE  73           HN       PHE  73 -11.834 -13.062   0.015
 1375    HA   PHE  73           HA       PHE  73 -10.356 -15.521   0.274
 1376   1HB   PHE  73          HB2       PHE  73 -11.251 -16.046  -2.008
 1377   2HB   PHE  73          HB1       PHE  73 -12.410 -15.962  -0.717
 1378    HD1  PHE  73           HD1      PHE  73 -11.445 -12.683  -1.797
 1379    HD2  PHE  73           HD2      PHE  73 -13.944 -15.992  -2.728
 1380    HE1  PHE  73           HE1      PHE  73 -12.873 -11.226  -3.145
 1381    HE2  PHE  73           HE2      PHE  73 -15.371 -14.534  -4.090
 1382    HZ   PHE  73           HZ       PHE  73 -14.836 -12.143  -4.305
 1383    H    SER  74           HN       SER  74 -10.318 -14.194  -2.949
 1384    HA   SER  74           HA       SER  74  -7.443 -13.839  -2.584
 1385   1HB   SER  74          HB2       SER  74  -7.102 -14.709  -4.888
 1386   2HB   SER  74          HB1       SER  74  -7.726 -15.906  -3.759
 1387    HG   SER  74           HG       SER  74  -8.827 -15.906  -5.783
 1388    H    GLU  75           HN       GLU  75 -10.095 -12.194  -3.303
 1389    HA   GLU  75           HA       GLU  75  -9.439 -10.687  -5.574
 1390   1HB   GLU  75          HB2       GLU  75 -11.189 -10.453  -3.234
 1391   2HB   GLU  75          HB1       GLU  75 -10.799  -8.930  -4.011
 1392   1HG   GLU  75          HG2       GLU  75 -12.068 -11.317  -5.302
 1393   2HG   GLU  75          HG1       GLU  75 -12.907  -9.889  -4.706
 1394    H    TYR  76           HN       TYR  76  -7.806 -10.817  -2.586
 1395    HA   TYR  76           HA       TYR  76  -7.241  -8.396  -1.738
 1396   1HB   TYR  76          HB2       TYR  76  -5.661 -10.822  -1.774
 1397   2HB   TYR  76          HB1       TYR  76  -4.698  -9.361  -1.603
 1398    HD1  TYR  76           HD1      TYR  76  -4.922 -11.556   0.425
 1399    HD2  TYR  76           HD2      TYR  76  -7.183  -7.982  -0.015
 1400    HE1  TYR  76           HE1      TYR  76  -5.496 -11.627   2.795
 1401    HE2  TYR  76           HE2      TYR  76  -7.762  -8.032   2.333
 1402    HH   TYR  76           HH       TYR  76  -6.185 -10.005   4.579
 1403    H    TRP  77           HN       TRP  77  -6.166  -9.476  -4.821
 1404    HA   TRP  77           HA       TRP  77  -4.200  -7.512  -5.340
 1405   1HB   TRP  77          HB2       TRP  77  -4.701  -7.890  -7.713
 1406   2HB   TRP  77          HB1       TRP  77  -4.663  -9.428  -6.854
 1407    HD1  TRP  77           HD1      TRP  77  -7.362  -6.824  -7.835
 1408    HE1  TRP  77           HE1      TRP  77  -9.467  -8.103  -8.521
 1409    HE3  TRP  77           HE3      TRP  77  -5.757 -11.596  -6.975
 1410    HZ2  TRP  77           HZ2      TRP  77 -10.367 -10.783  -8.658
 1411    HZ3  TRP  77           HZ3      TRP  77  -7.299 -13.455  -7.374
 1412    HH2  TRP  77           HH2      TRP  77  -9.558 -13.060  -8.201
 1413    H    ARG  78           HN       ARG  78  -7.578  -7.192  -4.849
 1414    HA   ARG  78           HA       ARG  78  -7.990  -4.885  -6.378
 1415   1HB   ARG  78          HB2       ARG  78  -9.580  -6.123  -4.133
 1416   2HB   ARG  78          HB1       ARG  78 -10.134  -4.711  -5.038
 1417   1HG   ARG  78          HG2       ARG  78  -9.384  -7.257  -6.418
 1418   2HG   ARG  78          HG1       ARG  78 -10.980  -7.018  -5.718
 1419   1HD   ARG  78          HD2       ARG  78 -11.245  -4.981  -7.076
 1420   2HD   ARG  78          HD1       ARG  78  -9.669  -5.286  -7.807
 1421    HE   ARG  78           HE       ARG  78 -11.469  -7.495  -8.081
 1422   1HH1  ARG  78          HH11      ARG  78 -10.550  -4.412  -9.415
 1423   2HH1  ARG  78          HH12      ARG  78 -11.128  -4.782 -11.005
 1424   1HH2  ARG  78          HH21      ARG  78 -12.234  -7.992 -10.171
 1425   2HH2  ARG  78          HH22      ARG  78 -12.085  -6.816 -11.435
 1426    H    LEU  79           HN       LEU  79  -6.601  -5.517  -3.298
 1427    HA   LEU  79           HA       LEU  79  -6.834  -2.806  -2.336
 1428   1HB   LEU  79          HB2       LEU  79  -4.677  -4.414  -1.213
 1429   2HB   LEU  79          HB1       LEU  79  -5.945  -3.545  -0.386
 1430    HG   LEU  79           HG       LEU  79  -6.892  -6.062  -1.597
 1431   1HD1  LEU  79          HD11      LEU  79  -4.312  -6.085  -0.419
 1432   2HD1  LEU  79          HD12      LEU  79  -5.303  -7.455  -0.898
 1433   3HD1  LEU  79          HD13      LEU  79  -5.421  -6.807   0.735
 1434   1HD2  LEU  79          HD21      LEU  79  -6.832  -5.413   1.318
 1435   2HD2  LEU  79          HD22      LEU  79  -8.092  -6.193   0.363
 1436   3HD2  LEU  79          HD23      LEU  79  -7.855  -4.449   0.259
 1437    H    ILE  80           HN       ILE  80  -4.797  -4.663  -4.357
 1438    HA   ILE  80           HA       ILE  80  -2.321  -3.685  -4.163
 1439    HB   ILE  80           HB       ILE  80  -3.440  -5.301  -5.913
 1440   1HG1  ILE  80          HG12      ILE  80  -1.407  -5.054  -7.357
 1441   2HG1  ILE  80          HG11      ILE  80  -1.016  -3.576  -6.486
 1442   1HG2  ILE  80          HG21      ILE  80  -3.272  -2.743  -7.515
 1443   2HG2  ILE  80          HG22      ILE  80  -4.743  -3.621  -7.102
 1444   3HG2  ILE  80          HG23      ILE  80  -3.549  -4.357  -8.169
 1445   1HD1  ILE  80          HD11      ILE  80   0.245  -5.519  -5.682
 1446   2HD1  ILE  80          HD12      ILE  80  -1.272  -6.302  -5.237
 1447   3HD1  ILE  80          HD13      ILE  80  -0.776  -4.816  -4.427
 1448    H    GLY  81           HN       GLY  81  -4.875  -2.025  -6.054
 1449   1HA   GLY  81          HA2       GLY  81  -3.184   0.308  -6.362
 1450   2HA   GLY  81          HA1       GLY  81  -4.808   0.104  -6.997
 1451    H    GLU  82           HN       GLU  82  -5.077  -0.766  -3.837
 1452    HA   GLU  82           HA       GLU  82  -6.350   1.719  -3.155
 1453   1HB   GLU  82          HB2       GLU  82  -5.928  -0.775  -1.584
 1454   2HB   GLU  82          HB1       GLU  82  -6.975   0.545  -1.103
 1455   1HG   GLU  82          HG2       GLU  82  -7.329  -1.140  -3.568
 1456   2HG   GLU  82          HG1       GLU  82  -8.227  -1.327  -2.063
 1457    H    LEU  83           HN       LEU  83  -4.025  -0.274  -1.387
 1458    HA   LEU  83           HA       LEU  83  -3.274   1.549   0.527
 1459   1HB   LEU  83          HB2       LEU  83  -2.155  -0.878  -0.643
 1460   2HB   LEU  83          HB1       LEU  83  -0.930   0.219  -0.046
 1461    HG   LEU  83           HG       LEU  83  -3.226  -0.834   1.600
 1462   1HD1  LEU  83          HD11      LEU  83  -1.892  -2.705   1.240
 1463   2HD1  LEU  83          HD12      LEU  83  -1.238  -2.039   2.738
 1464   3HD1  LEU  83          HD13      LEU  83  -0.404  -1.761   1.210
 1465   1HD2  LEU  83          HD21      LEU  83  -2.407   1.339   2.346
 1466   2HD2  LEU  83          HD22      LEU  83  -0.756   0.720   2.368
 1467   3HD2  LEU  83          HD23      LEU  83  -1.955   0.071   3.485
 1468    H    ALA  84           HN       ALA  84  -2.465   1.361  -2.822
 1469    HA   ALA  84           HA       ALA  84  -0.263   3.202  -2.611
 1470   1HB   ALA  84          HB1       ALA  84  -0.245   3.142  -5.036
 1471   2HB   ALA  84          HB2       ALA  84  -1.761   2.245  -5.026
 1472   3HB   ALA  84          HB3       ALA  84  -0.303   1.520  -4.351
 1473    H    LYS  85           HN       LYS  85  -3.690   3.405  -3.395
 1474    HA   LYS  85           HA       LYS  85  -3.790   5.929  -4.499
 1475   1HB   LYS  85          HB2       LYS  85  -5.729   4.391  -2.844
 1476   2HB   LYS  85          HB1       LYS  85  -6.071   6.064  -3.249
 1477   1HG   LYS  85          HG2       LYS  85  -6.257   5.624  -5.507
 1478   2HG   LYS  85          HG1       LYS  85  -5.324   4.131  -5.398
 1479   1HD   LYS  85          HD2       LYS  85  -7.765   3.781  -5.759
 1480   2HD   LYS  85          HD1       LYS  85  -7.144   3.013  -4.299
 1481   1HE   LYS  85          HE2       LYS  85  -9.209   4.067  -3.739
 1482   2HE   LYS  85          HE1       LYS  85  -7.897   5.015  -3.016
 1483   1HZ   LYS  85          HZ1       LYS  85  -9.631   6.366  -4.132
 1484   2HZ   LYS  85          HZ2       LYS  85  -9.189   5.673  -5.609
 1485   3HZ   LYS  85          HZ3       LYS  85  -8.078   6.617  -4.752
 1486    H    GLU  86           HN       GLU  86  -2.989   5.039  -1.325
 1487    HA   GLU  86           HA       GLU  86  -3.381   7.656  -0.214
 1488   1HB   GLU  86          HB2       GLU  86  -1.654   5.482   0.932
 1489   2HB   GLU  86          HB1       GLU  86  -2.540   6.737   1.780
 1490   1HG   GLU  86          HG2       GLU  86  -3.689   4.371   0.358
 1491   2HG   GLU  86          HG1       GLU  86  -3.636   4.638   2.089
 1492    H    VAL  87           HN       VAL  87  -0.778   5.708  -1.499
 1493    HA   VAL  87           HA       VAL  87   1.257   7.640  -0.929
 1494    HB   VAL  87           HB       VAL  87   1.296   5.032  -2.419
 1495   1HG1  VAL  87          HG11      VAL  87   3.565   6.956  -1.991
 1496   2HG1  VAL  87          HG12      VAL  87   2.892   6.435  -3.535
 1497   3HG1  VAL  87          HG13      VAL  87   3.749   5.284  -2.515
 1498   1HG2  VAL  87          HG21      VAL  87   1.132   4.849  -0.017
 1499   2HG2  VAL  87          HG22      VAL  87   2.495   5.948   0.186
 1500   3HG2  VAL  87          HG23      VAL  87   2.743   4.362  -0.542
 1501    H    ARG  88           HN       ARG  88  -1.003   7.221  -3.441
 1502    HA   ARG  88           HA       ARG  88   0.549   8.221  -5.592
 1503   1HB   ARG  88          HB2       ARG  88  -1.764   6.959  -5.527
 1504   2HB   ARG  88          HB1       ARG  88  -2.411   8.596  -5.498
 1505   1HG   ARG  88          HG2       ARG  88  -0.494   7.609  -7.591
 1506   2HG   ARG  88          HG1       ARG  88  -2.250   7.574  -7.766
 1507   1HD   ARG  88          HD2       ARG  88  -2.280  10.029  -7.403
 1508   2HD   ARG  88          HD1       ARG  88  -0.517  10.012  -7.379
 1509    HE   ARG  88           HE       ARG  88  -1.137   8.822  -9.738
 1510   1HH1  ARG  88          HH11      ARG  88  -2.027  11.838  -8.241
 1511   2HH1  ARG  88          HH12      ARG  88  -2.210  12.680  -9.744
 1512   1HH2  ARG  88          HH21      ARG  88  -1.375   9.921 -11.724
 1513   2HH2  ARG  88          HH22      ARG  88  -1.840  11.589 -11.725
 1514    H    LYS  89           HN       LYS  89  -1.684   9.814  -3.317
 1515    HA   LYS  89           HA       LYS  89  -1.170  12.415  -4.465
 1516   1HB   LYS  89          HB2       LYS  89  -2.415  13.277  -2.509
 1517   2HB   LYS  89          HB1       LYS  89  -3.314  12.087  -3.414
 1518   1HG   LYS  89          HG2       LYS  89  -1.705  11.133  -1.083
 1519   2HG   LYS  89          HG1       LYS  89  -3.157  12.071  -0.750
 1520   1HD   LYS  89          HD2       LYS  89  -2.826   9.337  -1.821
 1521   2HD   LYS  89          HD1       LYS  89  -4.020   9.973  -0.698
 1522   1HE   LYS  89          HE2       LYS  89  -5.340   9.551  -2.504
 1523   2HE   LYS  89          HE1       LYS  89  -4.898  11.213  -2.853
 1524   1HZ   LYS  89          HZ1       LYS  89  -3.416   8.890  -3.922
 1525   2HZ   LYS  89          HZ2       LYS  89  -3.326  10.495  -4.443
 1526   3HZ   LYS  89          HZ3       LYS  89  -4.720   9.588  -4.740
 1527    H    GLU  90           HN       GLU  90  -0.091  10.497  -1.786
 1528    HA   GLU  90           HA       GLU  90   1.235  12.483  -0.336
 1529   1HB   GLU  90          HB2       GLU  90   1.412   9.508  -0.503
 1530   2HB   GLU  90          HB1       GLU  90   2.541  10.403   0.511
 1531   1HG   GLU  90          HG2       GLU  90  -0.467  10.479   0.703
 1532   2HG   GLU  90          HG1       GLU  90   0.613   9.564   1.765
 1533    H    LYS  91           HN       LYS  91   1.975  10.954  -3.308
 1534    HA   LYS  91           HA       LYS  91   4.727  10.979  -3.358
 1535   1HB   LYS  91          HB2       LYS  91   4.597  10.974  -5.692
 1536   2HB   LYS  91          HB1       LYS  91   3.137  10.169  -5.157
 1537   1HG   LYS  91          HG2       LYS  91   1.885  12.254  -5.522
 1538   2HG   LYS  91          HG1       LYS  91   3.361  13.012  -6.121
 1539   1HD   LYS  91          HD2       LYS  91   3.486  11.345  -7.912
 1540   2HD   LYS  91          HD1       LYS  91   2.004  10.594  -7.315
 1541   1HE   LYS  91          HE2       LYS  91   0.783  12.670  -7.743
 1542   2HE   LYS  91          HE1       LYS  91   2.263  13.422  -8.333
 1543   1HZ   LYS  91          HZ1       LYS  91   0.903  11.075  -9.543
 1544   2HZ   LYS  91          HZ2       LYS  91   2.341  11.767 -10.103
 1545   3HZ   LYS  91          HZ3       LYS  91   0.901  12.651 -10.159
 1546    H    ALA  92           HN       ALA  92   2.511  13.611  -4.223
 1547    HA   ALA  92           HA       ALA  92   4.695  15.514  -4.373
 1548   1HB   ALA  92          HB1       ALA  92   2.943  17.133  -4.979
 1549   2HB   ALA  92          HB2       ALA  92   1.720  15.892  -4.700
 1550   3HB   ALA  92          HB3       ALA  92   2.903  15.689  -5.992
 1551    H    LEU  93           HN       LEU  93   2.469  14.433  -1.972
 1552    HA   LEU  93           HA       LEU  93   2.588  16.875  -0.438
 1553   1HB   LEU  93          HB2       LEU  93   0.718  15.037  -0.485
 1554   2HB   LEU  93          HB1       LEU  93   1.719  14.274   0.737
 1555    HG   LEU  93           HG       LEU  93   0.927  17.137   1.072
 1556   1HD1  LEU  93          HD11      LEU  93  -1.152  15.951   0.560
 1557   2HD1  LEU  93          HD12      LEU  93  -1.089  16.445   2.252
 1558   3HD1  LEU  93          HD13      LEU  93  -0.784  14.764   1.811
 1559   1HD2  LEU  93          HD21      LEU  93   2.572  16.213   2.591
 1560   2HD2  LEU  93          HD22      LEU  93   1.496  14.871   2.978
 1561   3HD2  LEU  93          HD23      LEU  93   1.061  16.514   3.448
 1562    H    GLY  94           HN       GLY  94   4.158  13.721  -0.386
 1563   1HA   GLY  94          HA2       GLY  94   5.421  13.659   2.029
 1564   2HA   GLY  94          HA1       GLY  94   6.184  13.115   0.536
 1565    H    ILE  95           HN       ILE  95   6.415  15.506  -0.787
 1566    HA   ILE  95           HA       ILE  95   8.779  16.554   0.318
 1567    HB   ILE  95           HB       ILE  95   8.499  16.551  -2.055
 1568   1HG1  ILE  95          HG12      ILE  95   8.293  19.467  -1.367
 1569   2HG1  ILE  95          HG11      ILE  95   9.696  18.521  -0.877
 1570   1HG2  ILE  95          HG21      ILE  95   6.196  16.633  -2.356
 1571   2HG2  ILE  95          HG22      ILE  95   6.808  18.101  -3.098
 1572   3HG2  ILE  95          HG23      ILE  95   6.050  18.170  -1.504
 1573   1HD1  ILE  95          HD11      ILE  95  10.179  18.001  -3.187
 1574   2HD1  ILE  95          HD12      ILE  95  10.063  19.747  -2.963
 1575   3HD1  ILE  95          HD13      ILE  95   8.730  18.863  -3.707
 1576    H    ARG  96           HN       ARG  96   7.727  17.018   2.456
 1577    HA   ARG  96           HA       ARG  96   5.935  19.147   2.757
 1578   1HB   ARG  96          HB2       ARG  96   6.993  17.399   4.486
 1579   2HB   ARG  96          HB1       ARG  96   8.012  18.791   4.845
 1580   1HG   ARG  96          HG2       ARG  96   6.274  19.090   6.321
 1581   2HG   ARG  96          HG1       ARG  96   5.768  20.073   4.938
 1582   1HD   ARG  96          HD2       ARG  96   4.422  18.166   4.126
 1583   2HD   ARG  96          HD1       ARG  96   4.845  17.280   5.591
 1584    HE   ARG  96           HE       ARG  96   3.737  19.772   6.292
 1585   1HH1  ARG  96          HH11      ARG  96   2.815  16.694   4.951
 1586   2HH1  ARG  96          HH12      ARG  96   1.188  16.779   5.542
 1587   1HH2  ARG  96          HH21      ARG  96   1.600  19.894   7.076
 1588   2HH2  ARG  96          HH22      ARG  96   0.498  18.599   6.749
 1589    H    LYS  97           HN       LYS  97   9.238  19.089   1.885
 1590    HA   LYS  97           HA       LYS  97   9.737  21.849   2.615
 1591   1HB   LYS  97          HB2       LYS  97  11.805  21.203   0.941
 1592   2HB   LYS  97          HB1       LYS  97  11.821  20.974   2.681
 1593   1HG   LYS  97          HG2       LYS  97  10.839  18.822   0.839
 1594   2HG   LYS  97          HG1       LYS  97  12.557  19.022   1.193
 1595   1HD   LYS  97          HD2       LYS  97  12.255  18.560   3.471
 1596   2HD   LYS  97          HD1       LYS  97  10.516  18.844   3.387
 1597   1HE   LYS  97          HE2       LYS  97  10.125  16.808   2.292
 1598   2HE   LYS  97          HE1       LYS  97  11.823  16.598   1.879
 1599   1HZ   LYS  97          HZ1       LYS  97  11.204  15.151   3.697
 1600   2HZ   LYS  97          HZ2       LYS  97  10.657  16.464   4.610
 1601   3HZ   LYS  97          HZ3       LYS  97  12.302  16.313   4.252
 1602    H    LYS  98           HN       LYS  98   8.013  22.783   1.440
 1603    HA   LYS  98           HA       LYS  98   8.413  22.846  -1.473
 1604   1HB   LYS  98          HB2       LYS  98   5.980  23.028   0.247
 1605   2HB   LYS  98          HB1       LYS  98   5.983  23.862  -1.302
 1606   1HG   LYS  98          HG2       LYS  98   6.664  20.942  -1.039
 1607   2HG   LYS  98          HG1       LYS  98   5.014  21.531  -1.279
 1608   1HD   LYS  98          HD2       LYS  98   5.515  22.410  -3.393
 1609   2HD   LYS  98          HD1       LYS  98   7.254  22.351  -3.101
 1610   1HE   LYS  98          HE2       LYS  98   6.539  20.594  -4.644
 1611   2HE   LYS  98          HE1       LYS  98   7.199  19.928  -3.151
 1612   1HZ   LYS  98          HZ1       LYS  98   4.304  20.237  -3.749
 1613   2HZ   LYS  98          HZ2       LYS  98   4.963  19.538  -2.357
 1614   3HZ   LYS  98          HZ3       LYS  98   5.168  18.787  -3.859
  Start of MODEL    9
    1   1H    MET   1          HT1       MET   1 -19.309   4.942  -3.001
    2   2H    MET   1          HT2       MET   1 -18.124   3.760  -3.226
    3   3H    MET   1          HT3       MET   1 -18.687   4.653  -4.546
    4    HA   MET   1           HA       MET   1 -17.745   6.663  -3.656
    5   1HB   MET   1          HB2       MET   1 -17.264   4.888  -1.335
    6   2HB   MET   1          HB1       MET   1 -16.011   6.028  -1.729
    7   1HG   MET   1          HG2       MET   1 -17.729   6.758  -0.029
    8   2HG   MET   1          HG1       MET   1 -17.372   7.886  -1.282
    9   1HE   MET   1          HE1       MET   1 -20.506   8.462  -3.172
   10   2HE   MET   1          HE2       MET   1 -18.760   8.295  -3.358
   11   3HE   MET   1          HE3       MET   1 -19.417   9.338  -2.097
   12    H    ALA   2           HN       ALA   2 -15.655   7.277  -4.252
   13    HA   ALA   2           HA       ALA   2 -14.060   5.107  -5.412
   14   1HB   ALA   2          HB1       ALA   2 -13.106   6.939  -6.886
   15   2HB   ALA   2          HB2       ALA   2 -14.425   7.949  -6.298
   16   3HB   ALA   2          HB3       ALA   2 -14.775   6.469  -7.184
   17    H    ALA   3           HN       ALA   3 -11.750   5.435  -5.543
   18    HA   ALA   3           HA       ALA   3 -10.643   6.117  -3.019
   19   1HB   ALA   3          HB1       ALA   3  -9.505   5.253  -5.651
   20   2HB   ALA   3          HB2       ALA   3  -9.544   4.384  -4.117
   21   3HB   ALA   3          HB3       ALA   3  -8.453   5.753  -4.330
   22    H    GLU   4           HN       GLU   4 -11.415   8.350  -2.932
   23    HA   GLU   4           HA       GLU   4 -10.359  10.313  -4.704
   24   1HB   GLU   4          HB2       GLU   4 -11.437  10.803  -1.936
   25   2HB   GLU   4          HB1       GLU   4 -11.429  11.900  -3.311
   26   1HG   GLU   4          HG2       GLU   4 -12.969  10.331  -4.469
   27   2HG   GLU   4          HG1       GLU   4 -13.059   9.410  -2.972
   28    H    THR   5           HN       THR   5  -9.787  11.670  -1.678
   29    HA   THR   5           HA       THR   5  -7.010  11.755  -2.112
   30    HB   THR   5           HB       THR   5  -8.199  12.385   0.560
   31    HG1  THR   5           HG1      THR   5  -9.543  13.756  -0.324
   32   1HG2  THR   5          HG21      THR   5  -5.988  12.997   0.564
   33   2HG2  THR   5          HG22      THR   5  -6.703  14.467  -0.104
   34   3HG2  THR   5          HG23      THR   5  -5.964  13.294  -1.174
   35    H    LEU   6           HN       LEU   6  -6.684  11.346   1.067
   36    HA   LEU   6           HA       LEU   6  -5.803   8.602   0.708
   37   1HB   LEU   6          HB2       LEU   6  -4.711   9.039   3.012
   38   2HB   LEU   6          HB1       LEU   6  -3.998   9.727   1.567
   39    HG   LEU   6           HG       LEU   6  -5.246  11.853   2.139
   40   1HD1  LEU   6          HD11      LEU   6  -6.842  11.370   3.706
   41   2HD1  LEU   6          HD12      LEU   6  -5.541  11.982   4.726
   42   3HD1  LEU   6          HD13      LEU   6  -5.800  10.246   4.572
   43   1HD2  LEU   6          HD21      LEU   6  -3.100  12.284   2.562
   44   2HD2  LEU   6          HD22      LEU   6  -2.846  10.712   3.318
   45   3HD2  LEU   6          HD23      LEU   6  -3.527  12.040   4.256
   46    H    THR   7           HN       THR   7  -7.024   7.060   1.323
   47    HA   THR   7           HA       THR   7  -9.203   7.491   3.128
   48    HB   THR   7           HB       THR   7  -8.647   4.688   2.650
   49    HG1  THR   7           HG1      THR   7  -7.720   5.114   0.737
   50   1HG2  THR   7          HG21      THR   7 -10.858   4.818   2.910
   51   2HG2  THR   7          HG22      THR   7 -10.925   5.352   1.232
   52   3HG2  THR   7          HG23      THR   7 -10.901   6.540   2.532
   53    H    GLU   8           HN       GLU   8  -9.526   5.675   4.814
   54    HA   GLU   8           HA       GLU   8  -7.985   6.094   6.992
   55   1HB   GLU   8          HB2       GLU   8  -8.970   3.308   6.489
   56   2HB   GLU   8          HB1       GLU   8  -8.897   4.203   7.999
   57   1HG   GLU   8          HG2       GLU   8 -10.828   4.592   5.732
   58   2HG   GLU   8          HG1       GLU   8 -11.175   4.025   7.364
   59    H    LEU   9           HN       LEU   9  -7.174   4.086   4.288
   60    HA   LEU   9           HA       LEU   9  -5.226   2.431   5.307
   61   1HB   LEU   9          HB2       LEU   9  -5.095   3.780   2.638
   62   2HB   LEU   9          HB1       LEU   9  -4.508   2.182   3.054
   63    HG   LEU   9           HG       LEU   9  -7.240   3.106   2.364
   64   1HD1  LEU   9          HD11      LEU   9  -7.277   0.785   1.380
   65   2HD1  LEU   9          HD12      LEU   9  -5.575   0.674   1.824
   66   3HD1  LEU   9          HD13      LEU   9  -6.111   1.917   0.696
   67   1HD2  LEU   9          HD21      LEU   9  -6.696   1.108   4.519
   68   2HD2  LEU   9          HD22      LEU   9  -8.061   0.877   3.434
   69   3HD2  LEU   9          HD23      LEU   9  -7.957   2.332   4.413
   70    H    GLU  10           HN       GLU  10  -5.067   5.871   4.693
   71    HA   GLU  10           HA       GLU  10  -2.295   6.206   4.495
   72   1HB   GLU  10          HB2       GLU  10  -2.828   8.443   5.766
   73   2HB   GLU  10          HB1       GLU  10  -3.425   8.192   4.133
   74   1HG   GLU  10          HG2       GLU  10  -5.517   8.350   4.767
   75   2HG   GLU  10          HG1       GLU  10  -5.284   7.198   6.080
   76    H    ALA  11           HN       ALA  11  -4.407   5.763   7.272
   77    HA   ALA  11           HA       ALA  11  -2.600   6.207   9.343
   78   1HB   ALA  11          HB1       ALA  11  -4.022   4.883  10.730
   79   2HB   ALA  11          HB2       ALA  11  -4.676   4.020   9.338
   80   3HB   ALA  11          HB3       ALA  11  -5.059   5.721   9.579
   81    H    ALA  12           HN       ALA  12  -2.973   3.534   7.151
   82    HA   ALA  12           HA       ALA  12  -1.213   1.759   8.539
   83   1HB   ALA  12          HB1       ALA  12  -1.368   0.359   6.569
   84   2HB   ALA  12          HB2       ALA  12  -2.095   1.680   5.655
   85   3HB   ALA  12          HB3       ALA  12  -2.970   0.955   7.003
   86    H    ILE  13           HN       ILE  13  -0.868   4.344   6.247
   87    HA   ILE  13           HA       ILE  13   1.575   3.727   5.104
   88    HB   ILE  13           HB       ILE  13  -0.029   5.769   4.711
   89   1HG1  ILE  13          HG12      ILE  13   1.929   5.116   3.337
   90   2HG1  ILE  13          HG11      ILE  13   1.711   6.861   3.429
   91   1HG2  ILE  13          HG21      ILE  13   2.052   7.343   6.128
   92   2HG2  ILE  13          HG22      ILE  13   0.742   6.652   7.082
   93   3HG2  ILE  13          HG23      ILE  13   0.378   7.756   5.756
   94   1HD1  ILE  13          HD11      ILE  13   3.993   6.560   3.673
   95   2HD1  ILE  13          HD12      ILE  13   3.792   5.145   4.703
   96   3HD1  ILE  13          HD13      ILE  13   3.428   6.753   5.334
   97    H    GLU  14           HN       GLU  14   0.758   4.849   8.278
   98    HA   GLU  14           HA       GLU  14   3.268   5.752   9.151
   99   1HB   GLU  14          HB2       GLU  14   1.009   4.536  10.747
  100   2HB   GLU  14          HB1       GLU  14   2.365   5.426  11.423
  101   1HG   GLU  14          HG2       GLU  14   0.339   6.551   9.504
  102   2HG   GLU  14          HG1       GLU  14   0.327   6.779  11.253
  103    H    THR  15           HN       THR  15   1.773   2.522   9.211
  104    HA   THR  15           HA       THR  15   3.855   1.310  10.736
  105    HB   THR  15           HB       THR  15   2.012  -0.008   8.731
  106    HG1  THR  15           HG1      THR  15   0.833  -0.539  10.715
  107   1HG2  THR  15          HG21      THR  15   2.448  -2.047  10.052
  108   2HG2  THR  15          HG22      THR  15   3.627  -1.151  11.010
  109   3HG2  THR  15          HG23      THR  15   3.907  -1.415   9.288
  110    H    VAL  16           HN       VAL  16   3.096   1.161   7.290
  111    HA   VAL  16           HA       VAL  16   5.386  -0.157   6.422
  112    HB   VAL  16           HB       VAL  16   3.385   0.096   5.062
  113   1HG1  VAL  16          HG11      VAL  16   2.796   2.365   5.730
  114   2HG1  VAL  16          HG12      VAL  16   2.869   2.220   3.975
  115   3HG1  VAL  16          HG13      VAL  16   4.186   2.999   4.850
  116   1HG2  VAL  16          HG21      VAL  16   4.623   1.061   2.953
  117   2HG2  VAL  16          HG22      VAL  16   5.130  -0.455   3.678
  118   3HG2  VAL  16          HG23      VAL  16   6.027   1.020   4.017
  119    H    VAL  17           HN       VAL  17   4.819   3.284   6.981
  120    HA   VAL  17           HA       VAL  17   7.317   4.044   5.782
  121    HB   VAL  17           HB       VAL  17   5.318   5.538   5.818
  122   1HG1  VAL  17          HG11      VAL  17   4.847   5.031   8.281
  123   2HG1  VAL  17          HG12      VAL  17   4.637   6.692   7.734
  124   3HG1  VAL  17          HG13      VAL  17   6.085   6.234   8.631
  125   1HG2  VAL  17          HG21      VAL  17   7.523   6.397   5.286
  126   2HG2  VAL  17          HG22      VAL  17   7.858   6.641   7.000
  127   3HG2  VAL  17          HG23      VAL  17   6.603   7.590   6.203
  128    H    SER  18           HN       SER  18   6.070   3.613   9.053
  129    HA   SER  18           HA       SER  18   8.498   4.536  10.286
  130   1HB   SER  18          HB2       SER  18   6.088   3.153  11.484
  131   2HB   SER  18          HB1       SER  18   7.404   3.884  12.404
  132    HG   SER  18           HG       SER  18   5.930   5.367  10.507
  133    H    THR  19           HN       THR  19   7.546   1.589   8.924
  134    HA   THR  19           HA       THR  19   9.189   0.000  10.696
  135    HB   THR  19           HB       THR  19   8.611  -1.922   9.233
  136    HG1  THR  19           HG1      THR  19   7.398   0.131   7.735
  137   1HG2  THR  19          HG21      THR  19   7.151  -1.874  10.981
  138   2HG2  THR  19          HG22      THR  19   6.008  -1.595   9.667
  139   3HG2  THR  19          HG23      THR  19   6.602  -0.238  10.625
  140    H    PHE  20           HN       PHE  20   9.212  -0.310   7.225
  141    HA   PHE  20           HA       PHE  20  12.052  -0.807   7.193
  142   1HB   PHE  20          HB2       PHE  20  10.806  -2.351   5.931
  143   2HB   PHE  20          HB1       PHE  20   9.787  -1.094   5.246
  144    HD1  PHE  20           HD1      PHE  20  10.013  -1.020   2.980
  145    HD2  PHE  20           HD2      PHE  20  13.495  -1.623   5.340
  146    HE1  PHE  20           HE1      PHE  20  11.387  -1.017   0.949
  147    HE2  PHE  20           HE2      PHE  20  14.872  -1.624   3.322
  148    HZ   PHE  20           HZ       PHE  20  13.819  -1.319   1.116
  149    H    PHE  21           HN       PHE  21   9.788   1.544   5.950
  150    HA   PHE  21           HA       PHE  21  11.579   2.883   4.274
  151   1HB   PHE  21          HB2       PHE  21   9.134   3.895   5.716
  152   2HB   PHE  21          HB1       PHE  21   9.945   4.746   4.423
  153    HD1  PHE  21           HD1      PHE  21   7.261   4.474   3.819
  154    HD2  PHE  21           HD2      PHE  21  10.264   1.458   3.516
  155    HE1  PHE  21           HE1      PHE  21   5.862   3.247   2.215
  156    HE2  PHE  21           HE2      PHE  21   8.866   0.250   1.887
  157    HZ   PHE  21           HZ       PHE  21   6.672   1.143   1.237
  158    H    THR  22           HN       THR  22  11.416   2.701   7.672
  159    HA   THR  22           HA       THR  22  12.415   5.258   8.322
  160    HB   THR  22           HB       THR  22  13.206   4.300  10.388
  161    HG1  THR  22           HG1      THR  22  14.059   2.403   9.357
  162   1HG2  THR  22          HG21      THR  22  10.645   2.996   9.526
  163   2HG2  THR  22          HG22      THR  22  10.793   4.657  10.099
  164   3HG2  THR  22          HG23      THR  22  11.151   3.315  11.186
  165    H    PHE  23           HN       PHE  23  13.864   2.650   6.636
  166    HA   PHE  23           HA       PHE  23  16.538   3.127   7.424
  167   1HB   PHE  23          HB2       PHE  23  17.064   1.386   6.114
  168   2HB   PHE  23          HB1       PHE  23  15.339   1.138   6.074
  169    HD1  PHE  23           HD1      PHE  23  14.428   0.661   4.093
  170    HD2  PHE  23           HD2      PHE  23  17.967   3.005   4.148
  171    HE1  PHE  23           HE1      PHE  23  14.507   0.605   1.659
  172    HE2  PHE  23           HE2      PHE  23  18.043   2.967   1.708
  173    HZ   PHE  23           HZ       PHE  23  16.327   1.740   0.465
  174    H    ALA  24           HN       ALA  24  14.440   5.022   5.625
  175    HA   ALA  24           HA       ALA  24  15.812   6.248   3.628
  176   1HB   ALA  24          HB1       ALA  24  13.548   6.864   4.749
  177   2HB   ALA  24          HB2       ALA  24  14.490   8.133   3.973
  178   3HB   ALA  24          HB3       ALA  24  14.523   7.954   5.728
  179    H    GLY  25           HN       GLY  25  16.167   6.681   7.057
  180   1HA   GLY  25          HA2       GLY  25  17.889   8.707   7.431
  181   2HA   GLY  25          HA1       GLY  25  18.021   7.180   8.315
  182    H    ARG  26           HN       ARG  26  18.689   5.672   5.871
  183    HA   ARG  26           HA       ARG  26  21.396   5.517   5.950
  184   1HB   ARG  26          HB2       ARG  26  19.403   4.971   3.802
  185   2HB   ARG  26          HB1       ARG  26  21.109   4.894   3.388
  186   1HG   ARG  26          HG2       ARG  26  19.969   3.385   5.716
  187   2HG   ARG  26          HG1       ARG  26  19.970   2.740   4.073
  188   1HD   ARG  26          HD2       ARG  26  22.260   2.605   3.981
  189   2HD   ARG  26          HD1       ARG  26  22.500   3.793   5.258
  190    HE   ARG  26           HE       ARG  26  21.329   1.781   6.577
  191   1HH1  ARG  26          HH11      ARG  26  24.002   1.843   4.343
  192   2HH1  ARG  26          HH12      ARG  26  24.778   0.458   5.034
  193   1HH2  ARG  26          HH21      ARG  26  22.344  -0.045   7.492
  194   2HH2  ARG  26          HH22      ARG  26  23.836  -0.615   6.822
  195    H    GLU  27           HN       GLU  27  19.525   7.594   3.765
  196    HA   GLU  27           HA       GLU  27  21.945   8.912   2.846
  197   1HB   GLU  27          HB2       GLU  27  19.029   9.343   2.168
  198   2HB   GLU  27          HB1       GLU  27  20.350  10.264   1.462
  199   1HG   GLU  27          HG2       GLU  27  21.288   8.118   0.605
  200   2HG   GLU  27          HG1       GLU  27  19.823   7.317   1.171
  201    H    GLY  28           HN       GLY  28  22.774  10.634   3.808
  202   1HA   GLY  28          HA2       GLY  28  22.089  11.710   6.184
  203   2HA   GLY  28          HA1       GLY  28  22.903  12.642   4.941
  204    H    ARG  29           HN       ARG  29  21.444  13.660   3.299
  205    HA   ARG  29           HA       ARG  29  19.849  15.545   4.377
  206   1HB   ARG  29          HB2       ARG  29  20.569  15.531   2.032
  207   2HB   ARG  29          HB1       ARG  29  19.421  14.246   1.684
  208   1HG   ARG  29          HG2       ARG  29  18.553  16.371   0.941
  209   2HG   ARG  29          HG1       ARG  29  17.576  15.751   2.271
  210   1HD   ARG  29          HD2       ARG  29  17.924  18.089   2.633
  211   2HD   ARG  29          HD1       ARG  29  18.885  17.203   3.816
  212    HE   ARG  29           HE       ARG  29  20.501  17.722   1.599
  213   1HH1  ARG  29          HH11      ARG  29  18.871  19.447   4.147
  214   2HH1  ARG  29          HH12      ARG  29  20.014  20.749   4.175
  215   1HH2  ARG  29          HH21      ARG  29  22.013  19.431   1.624
  216   2HH2  ARG  29          HH22      ARG  29  21.800  20.740   2.738
  217    H    LYS  30           HN       LYS  30  17.517  15.930   4.306
  218    HA   LYS  30           HA       LYS  30  16.043  13.552   5.194
  219   1HB   LYS  30          HB2       LYS  30  15.067  16.404   5.372
  220   2HB   LYS  30          HB1       LYS  30  14.580  15.014   6.337
  221   1HG   LYS  30          HG2       LYS  30  16.740  14.991   7.447
  222   2HG   LYS  30          HG1       LYS  30  17.278  16.349   6.456
  223   1HD   LYS  30          HD2       LYS  30  15.482  17.732   7.409
  224   2HD   LYS  30          HD1       LYS  30  14.988  16.374   8.423
  225   1HE   LYS  30          HE2       LYS  30  17.169  16.389   9.517
  226   2HE   LYS  30          HE1       LYS  30  17.687  17.723   8.486
  227   1HZ   LYS  30          HZ1       LYS  30  15.930  19.087   9.455
  228   2HZ   LYS  30          HZ2       LYS  30  16.993  18.526  10.644
  229   3HZ   LYS  30          HZ3       LYS  30  15.472  17.808  10.464
  230    H    GLY  31           HN       GLY  31  16.435  13.576   2.514
  231   1HA   GLY  31          HA2       GLY  31  13.982  14.675   1.285
  232   2HA   GLY  31          HA1       GLY  31  15.385  14.045   0.421
  233    H    SER  32           HN       SER  32  15.728  11.704   0.503
  234    HA   SER  32           HA       SER  32  13.309  10.276   1.247
  235   1HB   SER  32          HB2       SER  32  12.743  10.639  -0.973
  236   2HB   SER  32          HB1       SER  32  14.406  10.462  -1.536
  237    HG   SER  32           HG       SER  32  12.473   8.612  -1.324
  238    H    LEU  33           HN       LEU  33  13.563   7.954   0.657
  239    HA   LEU  33           HA       LEU  33  15.992   6.974   1.906
  240   1HB   LEU  33          HB2       LEU  33  14.053   6.097   2.880
  241   2HB   LEU  33          HB1       LEU  33  13.271   5.968   1.332
  242    HG   LEU  33           HG       LEU  33  15.580   4.185   1.863
  243   1HD1  LEU  33          HD11      LEU  33  13.075   4.250   3.396
  244   2HD1  LEU  33          HD12      LEU  33  14.628   3.561   3.808
  245   3HD1  LEU  33          HD13      LEU  33  13.524   2.679   2.757
  246   1HD2  LEU  33          HD21      LEU  33  14.592   2.865   0.256
  247   2HD2  LEU  33          HD22      LEU  33  14.029   4.448  -0.264
  248   3HD2  LEU  33          HD23      LEU  33  12.968   3.391   0.663
  249    H    ASN  34           HN       ASN  34  17.095   5.008   0.869
  250    HA   ASN  34           HA       ASN  34  16.704   5.244  -2.024
  251   1HB   ASN  34          HB2       ASN  34  18.747   6.358  -1.008
  252   2HB   ASN  34          HB1       ASN  34  19.372   4.738  -0.722
  253   1HD2  ASN  34          HD21      ASN  34  18.549   7.106  -3.127
  254   2HD2  ASN  34          HD22      ASN  34  19.360   6.344  -4.449
  255    H    ILE  35           HN       ILE  35  19.148   3.036  -1.567
  256    HA   ILE  35           HA       ILE  35  17.356   0.873  -1.035
  257    HB   ILE  35           HB       ILE  35  18.607  -0.334  -3.031
  258   1HG1  ILE  35          HG12      ILE  35  18.694   1.207  -4.975
  259   2HG1  ILE  35          HG11      ILE  35  18.383   2.560  -3.896
  260   1HG2  ILE  35          HG21      ILE  35  16.118   1.351  -3.144
  261   2HG2  ILE  35          HG22      ILE  35  16.250  -0.372  -2.798
  262   3HG2  ILE  35          HG23      ILE  35  16.584   0.229  -4.419
  263   1HD1  ILE  35          HD11      ILE  35  20.787   0.757  -3.844
  264   2HD1  ILE  35          HD12      ILE  35  20.470   2.076  -2.716
  265   3HD1  ILE  35          HD13      ILE  35  20.729   2.420  -4.427
  266    H    ASN  36           HN       ASN  36  19.434   1.992   0.474
  267    HA   ASN  36           HA       ASN  36  21.677   0.190   0.338
  268   1HB   ASN  36          HB2       ASN  36  20.910   2.178   2.480
  269   2HB   ASN  36          HB1       ASN  36  22.473   1.381   2.330
  270   1HD2  ASN  36          HD21      ASN  36  22.526   1.648  -0.582
  271   2HD2  ASN  36          HD22      ASN  36  22.862   3.309  -0.903
  272    H    GLU  37           HN       GLU  37  19.316   0.953   2.921
  273    HA   GLU  37           HA       GLU  37  19.718  -1.690   3.950
  274   1HB   GLU  37          HB2       GLU  37  17.383  -0.049   4.752
  275   2HB   GLU  37          HB1       GLU  37  18.296  -1.222   5.671
  276   1HG   GLU  37          HG2       GLU  37  20.235   0.507   5.189
  277   2HG   GLU  37          HG1       GLU  37  18.868   1.627   5.116
  278    H    PHE  38           HN       PHE  38  17.633  -0.247   1.575
  279    HA   PHE  38           HA       PHE  38  15.546  -2.044   1.564
  280   1HB   PHE  38          HB2       PHE  38  15.873  -0.076   0.011
  281   2HB   PHE  38          HB1       PHE  38  17.018  -1.059  -0.897
  282    HD1  PHE  38           HD1      PHE  38  15.978  -3.488  -1.495
  283    HD2  PHE  38           HD2      PHE  38  13.790   0.099  -0.874
  284    HE1  PHE  38           HE1      PHE  38  14.122  -4.398  -2.831
  285    HE2  PHE  38           HE2      PHE  38  11.926  -0.797  -2.205
  286    HZ   PHE  38           HZ       PHE  38  12.090  -3.050  -3.188
  287    H    LYS  39           HN       LYS  39  18.906  -2.378   0.818
  288    HA   LYS  39           HA       LYS  39  18.901  -4.787  -0.496
  289   1HB   LYS  39          HB2       LYS  39  21.042  -3.719   1.293
  290   2HB   LYS  39          HB1       LYS  39  21.244  -4.902   0.006
  291   1HG   LYS  39          HG2       LYS  39  19.951  -2.701  -1.125
  292   2HG   LYS  39          HG1       LYS  39  21.299  -2.068  -0.169
  293   1HD   LYS  39          HD2       LYS  39  22.717  -3.864  -1.313
  294   2HD   LYS  39          HD1       LYS  39  21.374  -4.020  -2.448
  295   1HE   LYS  39          HE2       LYS  39  21.551  -1.587  -2.905
  296   2HE   LYS  39          HE1       LYS  39  22.974  -1.532  -1.868
  297   1HZ   LYS  39          HZ1       LYS  39  22.729  -3.203  -4.310
  298   2HZ   LYS  39          HZ2       LYS  39  24.106  -3.036  -3.343
  299   3HZ   LYS  39          HZ3       LYS  39  23.534  -1.716  -4.233
  300    H    GLU  40           HN       GLU  40  18.155  -4.103   2.612
  301    HA   GLU  40           HA       GLU  40  18.653  -6.729   3.663
  302   1HB   GLU  40          HB2       GLU  40  18.216  -5.874   5.743
  303   2HB   GLU  40          HB1       GLU  40  18.652  -4.381   4.926
  304   1HG   GLU  40          HG2       GLU  40  16.467  -3.611   4.901
  305   2HG   GLU  40          HG1       GLU  40  15.779  -5.223   5.110
  306    H    LEU  41           HN       LEU  41  16.430  -5.428   1.577
  307    HA   LEU  41           HA       LEU  41  14.047  -6.698   2.548
  308   1HB   LEU  41          HB2       LEU  41  14.662  -5.439  -0.123
  309   2HB   LEU  41          HB1       LEU  41  13.091  -6.065   0.334
  310    HG   LEU  41           HG       LEU  41  14.478  -3.584   1.168
  311   1HD1  LEU  41          HD11      LEU  41  12.797  -2.693   0.036
  312   2HD1  LEU  41          HD12      LEU  41  11.627  -3.482   1.093
  313   3HD1  LEU  41          HD13      LEU  41  12.217  -4.315  -0.345
  314   1HD2  LEU  41          HD21      LEU  41  12.536  -3.535   2.979
  315   2HD2  LEU  41          HD22      LEU  41  14.127  -4.195   3.351
  316   3HD2  LEU  41          HD23      LEU  41  12.795  -5.278   2.949
  317    H    ALA  42           HN       ALA  42  14.947  -7.120  -0.836
  318    HA   ALA  42           HA       ALA  42  14.015  -9.516  -1.347
  319   1HB   ALA  42          HB1       ALA  42  16.554  -9.460  -2.540
  320   2HB   ALA  42          HB2       ALA  42  15.894  -7.824  -2.484
  321   3HB   ALA  42          HB3       ALA  42  14.980  -9.116  -3.254
  322    H    THR  43           HN       THR  43  17.021  -8.901   0.325
  323    HA   THR  43           HA       THR  43  18.142 -11.410   0.292
  324    HB   THR  43           HB       THR  43  19.112 -10.528   2.556
  325    HG1  THR  43           HG1      THR  43  18.236  -8.025   1.574
  326   1HG2  THR  43          HG21      THR  43  20.442 -10.522   0.578
  327   2HG2  THR  43          HG22      THR  43  20.538  -8.896   1.253
  328   3HG2  THR  43          HG23      THR  43  19.488  -9.220  -0.123
  329    H    GLN  44           HN       GLN  44  16.298 -10.029   3.040
  330    HA   GLN  44           HA       GLN  44  15.831 -12.620   4.139
  331   1HB   GLN  44          HB2       GLN  44  14.580  -9.989   4.934
  332   2HB   GLN  44          HB1       GLN  44  14.676 -11.445   5.915
  333   1HG   GLN  44          HG2       GLN  44  17.084 -11.222   6.055
  334   2HG   GLN  44          HG1       GLN  44  17.033  -9.811   5.000
  335   1HE2  GLN  44          HE21      GLN  44  17.969  -8.477   6.530
  336   2HE2  GLN  44          HE22      GLN  44  17.123  -7.944   7.939
  337    H    GLN  45           HN       GLN  45  14.181 -10.313   2.191
  338    HA   GLN  45           HA       GLN  45  11.544 -11.202   2.340
  339   1HB   GLN  45          HB2       GLN  45  13.163 -10.019   0.118
  340   2HB   GLN  45          HB1       GLN  45  11.456 -10.334  -0.055
  341   1HG   GLN  45          HG2       GLN  45  12.369  -8.696   2.248
  342   2HG   GLN  45          HG1       GLN  45  12.378  -7.980   0.635
  343   1HE2  GLN  45          HE21      GLN  45  10.602  -7.130  -0.085
  344   2HE2  GLN  45          HE22      GLN  45   9.027  -7.380   0.561
  345    H    LEU  46           HN       LEU  46  14.362 -12.351   0.628
  346    HA   LEU  46           HA       LEU  46  13.395 -14.057  -1.231
  347   1HB   LEU  46          HB2       LEU  46  15.782 -14.140   0.525
  348   2HB   LEU  46          HB1       LEU  46  15.351 -15.634  -0.274
  349    HG   LEU  46           HG       LEU  46  16.086 -13.016  -1.595
  350   1HD1  LEU  46          HD11      LEU  46  17.384 -15.735  -1.648
  351   2HD1  LEU  46          HD12      LEU  46  17.949 -14.344  -0.723
  352   3HD1  LEU  46          HD13      LEU  46  17.945 -14.288  -2.486
  353   1HD2  LEU  46          HD21      LEU  46  14.334 -13.966  -2.919
  354   2HD2  LEU  46          HD22      LEU  46  15.027 -15.579  -2.780
  355   3HD2  LEU  46          HD23      LEU  46  15.863 -14.339  -3.715
  356    HA   PRO  47           HA       PRO  47  12.330 -17.557   1.571
  357   1HB   PRO  47          HB2       PRO  47  13.080 -17.701   4.153
  358   2HB   PRO  47          HB1       PRO  47  14.123 -18.243   2.834
  359   1HG   PRO  47          HG2       PRO  47  14.203 -15.709   4.412
  360   2HG   PRO  47          HG1       PRO  47  15.545 -16.710   3.829
  361   1HD   PRO  47          HD2       PRO  47  14.714 -14.403   2.601
  362   2HD   PRO  47          HD1       PRO  47  15.531 -15.740   1.763
  363    H    HIS  48           HN       HIS  48  10.430 -16.357   1.314
  364    HA   HIS  48           HA       HIS  48   9.137 -15.337   3.723
  365   1HB   HIS  48          HB2       HIS  48   8.676 -14.100   1.580
  366   2HB   HIS  48          HB1       HIS  48   8.101 -15.602   0.878
  367    HD1  HIS  48           HD1      HIS  48   5.671 -15.966   1.017
  368    HD2  HIS  48           HD2      HIS  48   7.021 -13.302   3.895
  369    HE1  HIS  48           HE1      HIS  48   3.606 -15.153   2.192
  370    HE2  HIS  48           HE2      HIS  48   4.470 -13.688   4.049
  371    H    LEU  49           HN       LEU  49   6.725 -16.375   3.922
  372    HA   LEU  49           HA       LEU  49   7.035 -19.174   4.124
  373   1HB   LEU  49          HB2       LEU  49   4.518 -17.485   4.048
  374   2HB   LEU  49          HB1       LEU  49   4.545 -19.197   4.430
  375    HG   LEU  49           HG       LEU  49   5.719 -16.939   6.042
  376   1HD1  LEU  49          HD11      LEU  49   3.601 -18.996   6.645
  377   2HD1  LEU  49          HD12      LEU  49   3.331 -17.283   6.317
  378   3HD1  LEU  49          HD13      LEU  49   4.203 -17.777   7.769
  379   1HD2  LEU  49          HD21      LEU  49   6.017 -19.911   6.450
  380   2HD2  LEU  49          HD22      LEU  49   6.472 -18.671   7.620
  381   3HD2  LEU  49          HD23      LEU  49   7.304 -18.767   6.068
  382    H    LEU  50           HN       LEU  50   4.570 -17.549   2.120
  383    HA   LEU  50           HA       LEU  50   4.878 -19.523   0.014
  384   1HB   LEU  50          HB2       LEU  50   2.647 -18.675   0.738
  385   2HB   LEU  50          HB1       LEU  50   3.084 -17.094   0.119
  386    HG   LEU  50           HG       LEU  50   3.257 -18.041  -2.154
  387   1HD1  LEU  50          HD11      LEU  50   2.245 -20.571  -0.867
  388   2HD1  LEU  50          HD12      LEU  50   3.858 -20.326  -1.536
  389   3HD1  LEU  50          HD13      LEU  50   2.450 -20.296  -2.597
  390   1HD2  LEU  50          HD21      LEU  50   0.880 -18.351  -2.525
  391   2HD2  LEU  50          HD22      LEU  50   1.154 -17.049  -1.367
  392   3HD2  LEU  50          HD23      LEU  50   0.629 -18.636  -0.802
  393    H    LYS  51           HN       LYS  51   7.234 -18.229   0.202
  394    HA   LYS  51           HA       LYS  51   7.832 -15.883  -0.938
  395   1HB   LYS  51          HB2       LYS  51   9.544 -17.294  -0.086
  396   2HB   LYS  51          HB1       LYS  51   9.225 -18.527  -1.291
  397   1HG   LYS  51          HG2       LYS  51   9.917 -16.769  -3.006
  398   2HG   LYS  51          HG1       LYS  51  10.583 -15.861  -1.650
  399   1HD   LYS  51          HD2       LYS  51  11.361 -18.590  -2.687
  400   2HD   LYS  51          HD1       LYS  51  12.360 -17.144  -2.578
  401   1HE   LYS  51          HE2       LYS  51  12.951 -17.582  -0.460
  402   2HE   LYS  51          HE1       LYS  51  11.305 -18.006   0.002
  403   1HZ   LYS  51          HZ1       LYS  51  13.206 -19.788  -1.415
  404   2HZ   LYS  51          HZ2       LYS  51  11.623 -20.191  -0.976
  405   3HZ   LYS  51          HZ3       LYS  51  12.781 -19.891   0.220
  406    H    ASP  52           HN       ASP  52   8.420 -15.088  -2.875
  407    HA   ASP  52           HA       ASP  52   7.036 -16.219  -5.199
  408   1HB   ASP  52          HB2       ASP  52   8.108 -13.436  -4.656
  409   2HB   ASP  52          HB1       ASP  52   7.402 -13.937  -6.190
  410    H    VAL  53           HN       VAL  53  10.111 -15.094  -3.973
  411    HA   VAL  53           HA       VAL  53  12.198 -15.852  -4.446
  412    HB   VAL  53           HB       VAL  53  10.942 -17.749  -5.739
  413   1HG1  VAL  53          HG11      VAL  53  11.172 -17.905  -8.022
  414   2HG1  VAL  53          HG12      VAL  53  12.490 -16.738  -8.075
  415   3HG1  VAL  53          HG13      VAL  53  10.835 -16.186  -7.848
  416   1HG2  VAL  53          HG21      VAL  53  13.853 -17.086  -6.043
  417   2HG2  VAL  53          HG22      VAL  53  13.147 -18.668  -6.372
  418   3HG2  VAL  53          HG23      VAL  53  13.092 -18.000  -4.740
  419    H    GLY  54           HN       GLY  54  12.988 -13.888  -4.459
  420   1HA   GLY  54          HA2       GLY  54  12.745 -12.119  -6.708
  421   2HA   GLY  54          HA1       GLY  54  13.724 -11.859  -5.278
  422    H    SER  55           HN       SER  55  13.998 -11.988  -8.431
  423    HA   SER  55           HA       SER  55  16.205 -13.796  -8.745
  424   1HB   SER  55          HB2       SER  55  14.536 -13.102 -10.553
  425   2HB   SER  55          HB1       SER  55  15.433 -11.587 -10.647
  426    HG   SER  55           HG       SER  55  16.636 -14.136 -10.925
  427    H    LEU  56           HN       LEU  56  18.274 -13.403  -8.356
  428    HA   LEU  56           HA       LEU  56  19.320 -11.392  -6.908
  429   1HB   LEU  56          HB2       LEU  56  21.520 -11.943  -7.838
  430   2HB   LEU  56          HB1       LEU  56  20.579 -13.372  -7.455
  431    HG   LEU  56           HG       LEU  56  19.952 -13.071 -10.073
  432   1HD1  LEU  56          HD11      LEU  56  21.920 -12.495 -11.326
  433   2HD1  LEU  56          HD12      LEU  56  22.833 -12.224  -9.842
  434   3HD1  LEU  56          HD13      LEU  56  21.504 -11.147 -10.267
  435   1HD2  LEU  56          HD21      LEU  56  20.710 -15.115  -8.960
  436   2HD2  LEU  56          HD22      LEU  56  22.366 -14.507  -8.974
  437   3HD2  LEU  56          HD23      LEU  56  21.545 -14.864 -10.493
  438    H    ASP  57           HN       ASP  57  19.116 -11.325 -10.474
  439    HA   ASP  57           HA       ASP  57  20.404  -8.816 -10.731
  440   1HB   ASP  57          HB2       ASP  57  19.042  -8.724 -12.917
  441   2HB   ASP  57          HB1       ASP  57  20.310  -9.942 -12.758
  442    H    GLU  58           HN       GLU  58  16.990  -9.726 -10.689
  443    HA   GLU  58           HA       GLU  58  15.771  -7.295 -11.073
  444   1HB   GLU  58          HB2       GLU  58  15.014  -9.612  -9.297
  445   2HB   GLU  58          HB1       GLU  58  13.976  -8.205  -9.479
  446   1HG   GLU  58          HG2       GLU  58  13.856  -8.622 -11.891
  447   2HG   GLU  58          HG1       GLU  58  14.870 -10.049 -11.685
  448    H    LYS  59           HN       LYS  59  17.249  -8.647  -8.238
  449    HA   LYS  59           HA       LYS  59  16.498  -6.667  -6.416
  450   1HB   LYS  59          HB2       LYS  59  18.731  -8.671  -6.458
  451   2HB   LYS  59          HB1       LYS  59  18.496  -7.570  -5.113
  452   1HG   LYS  59          HG2       LYS  59  16.897  -8.846  -4.273
  453   2HG   LYS  59          HG1       LYS  59  16.020  -8.846  -5.789
  454   1HD   LYS  59          HD2       LYS  59  16.482 -11.105  -5.288
  455   2HD   LYS  59          HD1       LYS  59  17.607 -10.639  -6.560
  456   1HE   LYS  59          HE2       LYS  59  19.403 -10.441  -5.012
  457   2HE   LYS  59          HE1       LYS  59  18.310 -10.596  -3.636
  458   1HZ   LYS  59          HZ1       LYS  59  19.581 -12.643  -4.176
  459   2HZ   LYS  59          HZ2       LYS  59  18.745 -12.740  -5.642
  460   3HZ   LYS  59          HZ3       LYS  59  17.904 -12.862  -4.180
  461    H    MET  60           HN       MET  60  19.085  -6.887  -8.713
  462    HA   MET  60           HA       MET  60  20.478  -4.629  -7.633
  463   1HB   MET  60          HB2       MET  60  20.852  -6.182 -10.204
  464   2HB   MET  60          HB1       MET  60  21.923  -4.896  -9.655
  465   1HG   MET  60          HG2       MET  60  21.372  -7.421  -8.115
  466   2HG   MET  60          HG1       MET  60  22.754  -7.182  -9.185
  467   1HE   MET  60          HE1       MET  60  24.677  -5.426  -8.745
  468   2HE   MET  60          HE2       MET  60  24.703  -4.315  -7.375
  469   3HE   MET  60          HE3       MET  60  23.486  -4.130  -8.637
  470    H    LYS  61           HN       LYS  61  18.125  -5.241 -10.126
  471    HA   LYS  61           HA       LYS  61  18.430  -2.654 -11.390
  472   1HB   LYS  61          HB2       LYS  61  15.938  -4.054 -11.980
  473   2HB   LYS  61          HB1       LYS  61  17.179  -3.464 -13.076
  474   1HG   LYS  61          HG2       LYS  61  18.517  -5.492 -12.543
  475   2HG   LYS  61          HG1       LYS  61  17.144  -6.076 -11.600
  476   1HD   LYS  61          HD2       LYS  61  17.092  -5.409 -14.540
  477   2HD   LYS  61          HD1       LYS  61  17.169  -7.035 -13.859
  478   1HE   LYS  61          HE2       LYS  61  15.012  -6.659 -12.751
  479   2HE   LYS  61          HE1       LYS  61  14.938  -5.044 -13.452
  480   1HZ   LYS  61          HZ1       LYS  61  14.990  -7.588 -14.984
  481   2HZ   LYS  61          HZ2       LYS  61  14.912  -6.037 -15.653
  482   3HZ   LYS  61          HZ3       LYS  61  13.626  -6.620 -14.723
  483    H    THR  62           HN       THR  62  15.668  -4.276  -9.846
  484    HA   THR  62           HA       THR  62  13.999  -2.150  -9.525
  485    HB   THR  62           HB       THR  62  14.459  -4.308  -7.454
  486    HG1  THR  62           HG1      THR  62  13.782  -4.675  -9.892
  487   1HG2  THR  62          HG21      THR  62  13.108  -2.467  -6.593
  488   2HG2  THR  62          HG22      THR  62  12.113  -3.901  -6.844
  489   3HG2  THR  62          HG23      THR  62  12.050  -2.571  -7.999
  490    H    LEU  63           HN       LEU  63  16.888  -2.912  -7.802
  491    HA   LEU  63           HA       LEU  63  16.826  -1.290  -5.588
  492   1HB   LEU  63          HB2       LEU  63  18.596  -2.835  -6.066
  493   2HB   LEU  63          HB1       LEU  63  19.066  -1.942  -7.494
  494    HG   LEU  63           HG       LEU  63  19.195  -0.673  -4.804
  495   1HD1  LEU  63          HD11      LEU  63  20.419  -2.615  -4.366
  496   2HD1  LEU  63          HD12      LEU  63  21.632  -1.421  -4.831
  497   3HD1  LEU  63          HD13      LEU  63  21.110  -2.644  -5.988
  498   1HD2  LEU  63          HD21      LEU  63  21.132   0.491  -5.918
  499   2HD2  LEU  63          HD22      LEU  63  19.561   0.835  -6.631
  500   3HD2  LEU  63          HD23      LEU  63  20.651  -0.302  -7.416
  501    H    ASP  64           HN       ASP  64  17.880  -0.473  -8.877
  502    HA   ASP  64           HA       ASP  64  18.178   2.312  -8.311
  503   1HB   ASP  64          HB2       ASP  64  18.232   0.632 -10.796
  504   2HB   ASP  64          HB1       ASP  64  18.157   2.386 -10.929
  505    H    VAL  65           HN       VAL  65  15.576   0.242  -9.251
  506    HA   VAL  65           HA       VAL  65  13.902   2.246 -10.384
  507    HB   VAL  65           HB       VAL  65  13.162  -0.462  -9.238
  508   1HG1  VAL  65          HG11      VAL  65  11.239   1.040  -9.338
  509   2HG1  VAL  65          HG12      VAL  65  11.111  -0.226 -10.558
  510   3HG1  VAL  65          HG13      VAL  65  11.596   1.404 -11.026
  511   1HG2  VAL  65          HG21      VAL  65  13.122  -1.164 -11.600
  512   2HG2  VAL  65          HG22      VAL  65  14.727  -0.658 -11.075
  513   3HG2  VAL  65          HG23      VAL  65  13.743   0.420 -12.066
  514    H    ASN  66           HN       ASN  66  13.189   0.353  -7.444
  515    HA   ASN  66           HA       ASN  66  11.692   2.581  -6.373
  516   1HB   ASN  66          HB2       ASN  66  12.265   0.188  -4.700
  517   2HB   ASN  66          HB1       ASN  66  10.792   1.144  -4.858
  518   1HD2  ASN  66          HD21      ASN  66  11.181  -1.757  -4.965
  519   2HD2  ASN  66          HD22      ASN  66  10.529  -2.265  -6.482
  520    H    GLN  67           HN       GLN  67  14.264   3.469  -6.550
  521    HA   GLN  67           HA       GLN  67  15.825   2.938  -4.269
  522   1HB   GLN  67          HB2       GLN  67  17.129   4.838  -4.870
  523   2HB   GLN  67          HB1       GLN  67  16.665   4.043  -6.362
  524   1HG   GLN  67          HG2       GLN  67  15.367   6.466  -5.193
  525   2HG   GLN  67          HG1       GLN  67  16.594   6.494  -6.451
  526   1HE2  GLN  67          HE21      GLN  67  13.591   7.115  -6.158
  527   2HE2  GLN  67          HE22      GLN  67  12.891   6.407  -7.544
  528    H    ASP  68           HN       ASP  68  13.552   5.464  -5.053
  529    HA   ASP  68           HA       ASP  68  13.631   6.515  -2.376
  530   1HB   ASP  68          HB2       ASP  68  12.235   7.485  -4.847
  531   2HB   ASP  68          HB1       ASP  68  12.097   8.251  -3.271
  532    H    SER  69           HN       SER  69  12.480   3.847  -2.973
  533    HA   SER  69           HA       SER  69   9.784   3.593  -3.096
  534   1HB   SER  69          HB2       SER  69  10.057   1.602  -1.580
  535   2HB   SER  69          HB1       SER  69  11.200   1.627  -2.927
  536    HG   SER  69           HG       SER  69  12.034   1.170  -0.717
  537    H    GLU  70           HN       GLU  70  11.793   4.693  -0.527
  538    HA   GLU  70           HA       GLU  70   9.413   5.472   1.021
  539   1HB   GLU  70          HB2       GLU  70  10.613   4.399   2.643
  540   2HB   GLU  70          HB1       GLU  70  12.116   4.628   1.783
  541   1HG   GLU  70          HG2       GLU  70  12.219   5.856   3.850
  542   2HG   GLU  70          HG1       GLU  70  12.165   7.000   2.517
  543    H    LEU  71           HN       LEU  71   9.343   7.649   1.700
  544    HA   LEU  71           HA       LEU  71  11.396   9.337   0.576
  545   1HB   LEU  71          HB2       LEU  71   9.922   9.163  -1.126
  546   2HB   LEU  71          HB1       LEU  71   8.530   9.091  -0.086
  547    HG   LEU  71           HG       LEU  71   8.714  11.054  -1.395
  548   1HD1  LEU  71          HD11      LEU  71   7.431  12.018   0.060
  549   2HD1  LEU  71          HD12      LEU  71   8.851  12.519   0.952
  550   3HD1  LEU  71          HD13      LEU  71   8.092  10.977   1.312
  551   1HD2  LEU  71          HD21      LEU  71  10.436  12.714  -0.666
  552   2HD2  LEU  71          HD22      LEU  71  10.926  11.409  -1.689
  553   3HD2  LEU  71          HD23      LEU  71  11.238  11.337   0.010
  554    H    ARG  72           HN       ARG  72  11.722  11.297   1.611
  555    HA   ARG  72           HA       ARG  72  10.088  11.887   3.968
  556   1HB   ARG  72          HB2       ARG  72  12.638  13.330   3.406
  557   2HB   ARG  72          HB1       ARG  72  11.943  12.868   4.950
  558   1HG   ARG  72          HG2       ARG  72  13.406  11.125   2.998
  559   2HG   ARG  72          HG1       ARG  72  13.937  11.617   4.610
  560   1HD   ARG  72          HD2       ARG  72  11.816   9.667   3.816
  561   2HD   ARG  72          HD1       ARG  72  13.186   9.442   4.891
  562    HE   ARG  72           HE       ARG  72  11.170  11.323   5.790
  563   1HH1  ARG  72          HH11      ARG  72  12.393   8.053   5.937
  564   2HH1  ARG  72          HH12      ARG  72  11.619   7.707   7.445
  565   1HH2  ARG  72          HH21      ARG  72  10.154  10.858   7.768
  566   2HH2  ARG  72          HH22      ARG  72  10.347   9.292   8.481
  567    H    PHE  73           HN       PHE  73  11.368  13.086   0.943
  568    HA   PHE  73           HA       PHE  73   9.914  15.571   1.202
  569   1HB   PHE  73          HB2       PHE  73  11.211  16.480  -0.554
  570   2HB   PHE  73          HB1       PHE  73  12.304  15.621   0.498
  571    HD1  PHE  73           HD1      PHE  73  12.513  12.962  -0.495
  572    HD2  PHE  73           HD2      PHE  73  11.836  16.509  -2.712
  573    HE1  PHE  73           HE1      PHE  73  13.407  11.855  -2.432
  574    HE2  PHE  73           HE2      PHE  73  12.765  15.413  -4.706
  575    HZ   PHE  73           HZ       PHE  73  13.561  13.087  -4.581
  576    H    SER  74           HN       SER  74  10.141  14.206  -2.154
  577    HA   SER  74           HA       SER  74   7.215  14.153  -2.049
  578   1HB   SER  74          HB2       SER  74   8.982  15.559  -3.879
  579   2HB   SER  74          HB1       SER  74   7.802  14.549  -4.720
  580    HG   SER  74           HG       SER  74   6.276  15.871  -4.142
  581    H    GLU  75           HN       GLU  75   9.932  12.379  -2.880
  582    HA   GLU  75           HA       GLU  75   8.894  10.663  -4.816
  583   1HB   GLU  75          HB2       GLU  75  10.841   9.917  -2.654
  584   2HB   GLU  75          HB1       GLU  75  10.653   9.119  -4.204
  585   1HG   GLU  75          HG2       GLU  75  11.390  11.995  -4.059
  586   2HG   GLU  75          HG1       GLU  75  12.606  10.740  -3.829
  587    H    TYR  76           HN       TYR  76   7.028  10.947  -2.296
  588    HA   TYR  76           HA       TYR  76   6.977   8.436  -1.067
  589   1HB   TYR  76          HB2       TYR  76   5.335  10.867  -1.019
  590   2HB   TYR  76          HB1       TYR  76   4.430   9.387  -0.722
  591    HD1  TYR  76           HD1      TYR  76   4.892  11.736   1.167
  592    HD2  TYR  76           HD2      TYR  76   6.927   8.040   0.651
  593    HE1  TYR  76           HE1      TYR  76   5.702  11.826   3.488
  594    HE2  TYR  76           HE2      TYR  76   7.729   8.113   2.890
  595    HH   TYR  76           HH       TYR  76   6.487  10.293   5.232
  596    H    TRP  77           HN       TRP  77   5.773   9.636  -4.009
  597    HA   TRP  77           HA       TRP  77   3.751   7.728  -4.484
  598   1HB   TRP  77          HB2       TRP  77   4.085   8.189  -6.862
  599   2HB   TRP  77          HB1       TRP  77   4.136   9.698  -5.958
  600    HD1  TRP  77           HD1      TRP  77   6.683   7.093  -7.265
  601    HE1  TRP  77           HE1      TRP  77   8.772   8.347  -8.037
  602    HE3  TRP  77           HE3      TRP  77   5.267  11.841  -6.066
  603    HZ2  TRP  77           HZ2      TRP  77   9.719  11.017  -8.134
  604    HZ3  TRP  77           HZ3      TRP  77   6.811  13.692  -6.517
  605    HH2  TRP  77           HH2      TRP  77   8.997  13.290  -7.536
  606    H    ARG  78           HN       ARG  78   7.100   7.321  -3.987
  607    HA   ARG  78           HA       ARG  78   7.453   5.104  -5.775
  608   1HB   ARG  78          HB2       ARG  78   9.126   6.195  -3.517
  609   2HB   ARG  78          HB1       ARG  78   9.640   4.862  -4.549
  610   1HG   ARG  78          HG2       ARG  78   8.817   7.471  -5.737
  611   2HG   ARG  78          HG1       ARG  78  10.426   7.267  -5.065
  612   1HD   ARG  78          HD2       ARG  78  10.759   5.310  -6.533
  613   2HD   ARG  78          HD1       ARG  78   9.170   5.602  -7.239
  614    HE   ARG  78           HE       ARG  78  10.961   7.854  -7.384
  615   1HH1  ARG  78          HH11      ARG  78   9.865   4.935  -8.932
  616   2HH1  ARG  78          HH12      ARG  78  10.379   5.424 -10.512
  617   1HH2  ARG  78          HH21      ARG  78  11.645   8.509  -9.462
  618   2HH2  ARG  78          HH22      ARG  78  11.391   7.456 -10.814
  619    H    LEU  79           HN       LEU  79   6.518   5.669  -2.459
  620    HA   LEU  79           HA       LEU  79   6.684   2.991  -1.572
  621   1HB   LEU  79          HB2       LEU  79   4.422   4.521  -0.493
  622   2HB   LEU  79          HB1       LEU  79   5.669   3.634   0.341
  623    HG   LEU  79           HG       LEU  79   6.698   6.138  -0.780
  624   1HD1  LEU  79          HD11      LEU  79   5.035   7.521  -0.192
  625   2HD1  LEU  79          HD12      LEU  79   5.173   6.959   1.468
  626   3HD1  LEU  79          HD13      LEU  79   4.056   6.171   0.361
  627   1HD2  LEU  79          HD21      LEU  79   6.465   5.275   2.091
  628   2HD2  LEU  79          HD22      LEU  79   7.681   6.311   1.342
  629   3HD2  LEU  79          HD23      LEU  79   7.661   4.582   1.000
  630    H    ILE  80           HN       ILE  80   4.570   4.689  -3.667
  631    HA   ILE  80           HA       ILE  80   2.180   3.541  -3.381
  632    HB   ILE  80           HB       ILE  80   3.022   5.287  -5.110
  633   1HG1  ILE  80          HG12      ILE  80   0.821   3.329  -5.813
  634   2HG1  ILE  80          HG11      ILE  80   0.661   4.716  -4.738
  635   1HG2  ILE  80          HG21      ILE  80   4.481   3.775  -6.337
  636   2HG2  ILE  80          HG22      ILE  80   3.239   4.480  -7.369
  637   3HG2  ILE  80          HG23      ILE  80   3.083   2.813  -6.814
  638   1HD1  ILE  80          HD11      ILE  80   1.322   4.845  -7.671
  639   2HD1  ILE  80          HD12      ILE  80   1.102   6.221  -6.589
  640   3HD1  ILE  80          HD13      ILE  80  -0.257   5.158  -6.954
  641    H    GLY  81           HN       GLY  81   4.727   2.107  -5.431
  642   1HA   GLY  81          HA2       GLY  81   3.157  -0.307  -5.733
  643   2HA   GLY  81          HA1       GLY  81   4.767  -0.020  -6.378
  644    H    GLU  82           HN       GLU  82   4.924   0.883  -3.229
  645    HA   GLU  82           HA       GLU  82   6.370  -1.525  -2.513
  646   1HB   GLU  82          HB2       GLU  82   5.848   0.994  -0.971
  647   2HB   GLU  82          HB1       GLU  82   6.977  -0.273  -0.501
  648   1HG   GLU  82          HG2       GLU  82   7.182   1.372  -2.999
  649   2HG   GLU  82          HG1       GLU  82   8.114   1.639  -1.530
  650    H    LEU  83           HN       LEU  83   3.924   0.424  -0.848
  651    HA   LEU  83           HA       LEU  83   3.210  -1.391   1.109
  652   1HB   LEU  83          HB2       LEU  83   1.574   0.699  -0.319
  653   2HB   LEU  83          HB1       LEU  83   0.938  -0.240   1.015
  654    HG   LEU  83           HG       LEU  83   2.781   0.670   2.451
  655   1HD1  LEU  83          HD11      LEU  83   4.404   1.294   0.810
  656   2HD1  LEU  83          HD12      LEU  83   3.871   2.755   1.640
  657   3HD1  LEU  83          HD13      LEU  83   3.265   2.388   0.025
  658   1HD2  LEU  83          HD21      LEU  83   0.799   2.539   1.174
  659   2HD2  LEU  83          HD22      LEU  83   1.765   2.972   2.582
  660   3HD2  LEU  83          HD23      LEU  83   0.624   1.630   2.676
  661    H    ALA  84           HN       ALA  84   2.542  -1.433  -2.268
  662    HA   ALA  84           HA       ALA  84   0.381  -3.247  -2.138
  663   1HB   ALA  84          HB1       ALA  84   0.894  -3.541  -4.586
  664   2HB   ALA  84          HB2       ALA  84   2.208  -2.390  -4.352
  665   3HB   ALA  84          HB3       ALA  84   0.539  -1.895  -4.065
  666    H    LYS  85           HN       LYS  85   3.883  -3.613  -2.332
  667    HA   LYS  85           HA       LYS  85   4.252  -6.171  -3.206
  668   1HB   LYS  85          HB2       LYS  85   5.586  -4.545  -1.135
  669   2HB   LYS  85          HB1       LYS  85   5.879  -6.277  -1.067
  670   1HG   LYS  85          HG2       LYS  85   7.502  -5.908  -2.536
  671   2HG   LYS  85          HG1       LYS  85   6.217  -5.708  -3.728
  672   1HD   LYS  85          HD2       LYS  85   7.674  -3.816  -3.883
  673   2HD   LYS  85          HD1       LYS  85   6.157  -3.290  -3.156
  674   1HE   LYS  85          HE2       LYS  85   8.244  -2.394  -2.071
  675   2HE   LYS  85          HE1       LYS  85   7.118  -3.211  -0.988
  676   1HZ   LYS  85          HZ1       LYS  85   9.546  -4.450  -2.167
  677   2HZ   LYS  85          HZ2       LYS  85   8.499  -5.170  -1.053
  678   3HZ   LYS  85          HZ3       LYS  85   9.436  -3.840  -0.594
  679    H    GLU  86           HN       GLU  86   3.857  -5.506   0.210
  680    HA   GLU  86           HA       GLU  86   3.420  -7.980   1.120
  681   1HB   GLU  86          HB2       GLU  86   1.783  -6.675   2.732
  682   2HB   GLU  86          HB1       GLU  86   3.511  -6.445   2.814
  683   1HG   GLU  86          HG2       GLU  86   3.284  -4.296   2.346
  684   2HG   GLU  86          HG1       GLU  86   2.297  -4.634   0.938
  685    H    VAL  87           HN       VAL  87   1.050  -5.878  -0.435
  686    HA   VAL  87           HA       VAL  87  -1.091  -7.749  -0.022
  687    HB   VAL  87           HB       VAL  87  -0.948  -5.177  -1.593
  688   1HG1  VAL  87          HG11      VAL  87  -2.511  -6.606  -2.735
  689   2HG1  VAL  87          HG12      VAL  87  -3.385  -5.362  -1.861
  690   3HG1  VAL  87          HG13      VAL  87  -3.313  -6.998  -1.220
  691   1HG2  VAL  87          HG21      VAL  87  -2.206  -5.949   1.024
  692   2HG2  VAL  87          HG22      VAL  87  -2.567  -4.444   0.176
  693   3HG2  VAL  87          HG23      VAL  87  -0.928  -4.769   0.737
  694    H    ARG  88           HN       ARG  88   1.362  -7.403  -2.343
  695    HA   ARG  88           HA       ARG  88  -0.050  -8.331  -4.612
  696   1HB   ARG  88          HB2       ARG  88   2.167  -7.131  -4.573
  697   2HB   ARG  88          HB1       ARG  88   2.896  -8.660  -4.089
  698   1HG   ARG  88          HG2       ARG  88   2.096  -9.701  -6.148
  699   2HG   ARG  88          HG1       ARG  88   1.366  -8.170  -6.632
  700   1HD   ARG  88          HD2       ARG  88   3.578  -7.120  -6.632
  701   2HD   ARG  88          HD1       ARG  88   4.306  -8.648  -6.137
  702    HE   ARG  88           HE       ARG  88   2.792  -8.841  -8.568
  703   1HH1  ARG  88          HH11      ARG  88   5.883  -8.036  -7.182
  704   2HH1  ARG  88          HH12      ARG  88   6.765  -8.343  -8.641
  705   1HH2  ARG  88          HH21      ARG  88   3.942  -9.251 -10.496
  706   2HH2  ARG  88          HH22      ARG  88   5.660  -9.035 -10.525
  707    H    LYS  89           HN       LYS  89   2.449 -10.148  -2.860
  708    HA   LYS  89           HA       LYS  89   1.596 -12.632  -3.898
  709   1HB   LYS  89          HB2       LYS  89   3.252 -13.652  -2.628
  710   2HB   LYS  89          HB1       LYS  89   3.906 -12.065  -2.960
  711   1HG   LYS  89          HG2       LYS  89   2.472 -12.079  -0.445
  712   2HG   LYS  89          HG1       LYS  89   3.698 -13.328  -0.495
  713   1HD   LYS  89          HD2       LYS  89   4.670 -11.356   0.383
  714   2HD   LYS  89          HD1       LYS  89   5.319 -11.603  -1.232
  715   1HE   LYS  89          HE2       LYS  89   2.926  -9.931  -1.091
  716   2HE   LYS  89          HE1       LYS  89   4.329  -9.272  -0.273
  717   1HZ   LYS  89          HZ1       LYS  89   5.608  -9.421  -2.266
  718   2HZ   LYS  89          HZ2       LYS  89   4.172  -8.607  -2.628
  719   3HZ   LYS  89          HZ3       LYS  89   4.363 -10.220  -3.081
  720    H    GLU  90           HN       GLU  90   0.727 -10.821  -1.072
  721    HA   GLU  90           HA       GLU  90  -0.520 -12.942   0.330
  722   1HB   GLU  90          HB2       GLU  90  -0.764  -9.945   0.494
  723   2HB   GLU  90          HB1       GLU  90  -1.705 -11.022   1.524
  724   1HG   GLU  90          HG2       GLU  90   0.400 -12.017   2.352
  725   2HG   GLU  90          HG1       GLU  90   1.299 -10.843   1.390
  726    H    LYS  91           HN       LYS  91  -1.382 -11.420  -2.544
  727    HA   LYS  91           HA       LYS  91  -4.167 -11.268  -2.293
  728   1HB   LYS  91          HB2       LYS  91  -4.252 -11.009  -4.623
  729   2HB   LYS  91          HB1       LYS  91  -2.735 -10.277  -4.130
  730   1HG   LYS  91          HG2       LYS  91  -1.584 -12.390  -4.785
  731   2HG   LYS  91          HG1       LYS  91  -3.122 -12.964  -5.428
  732   1HD   LYS  91          HD2       LYS  91  -3.196 -11.123  -6.996
  733   2HD   LYS  91          HD1       LYS  91  -1.727 -10.435  -6.300
  734   1HE   LYS  91          HE2       LYS  91  -1.248 -11.626  -8.375
  735   2HE   LYS  91          HE1       LYS  91  -0.464 -12.401  -6.999
  736   1HZ   LYS  91          HZ1       LYS  91  -1.485 -14.021  -8.474
  737   2HZ   LYS  91          HZ2       LYS  91  -2.998 -13.294  -8.268
  738   3HZ   LYS  91          HZ3       LYS  91  -2.234 -14.042  -6.957
  739    H    ALA  92           HN       ALA  92  -2.097 -13.810  -3.577
  740    HA   ALA  92           HA       ALA  92  -4.299 -15.645  -3.890
  741   1HB   ALA  92          HB1       ALA  92  -2.583 -17.238  -4.634
  742   2HB   ALA  92          HB2       ALA  92  -1.330 -16.078  -4.188
  743   3HB   ALA  92          HB3       ALA  92  -2.467 -15.696  -5.481
  744    H    LEU  93           HN       LEU  93  -2.015 -14.917  -1.394
  745    HA   LEU  93           HA       LEU  93  -2.399 -17.464  -0.068
  746   1HB   LEU  93          HB2       LEU  93  -0.278 -16.100   0.093
  747   2HB   LEU  93          HB1       LEU  93  -1.173 -14.983   1.112
  748    HG   LEU  93           HG       LEU  93  -1.380 -17.782   1.968
  749   1HD1  LEU  93          HD11      LEU  93   0.878 -17.872   2.912
  750   2HD1  LEU  93          HD12      LEU  93   1.285 -16.357   2.107
  751   3HD1  LEU  93          HD13      LEU  93   0.932 -17.796   1.151
  752   1HD2  LEU  93          HD21      LEU  93  -0.937 -16.742   4.150
  753   2HD2  LEU  93          HD22      LEU  93  -2.234 -15.922   3.281
  754   3HD2  LEU  93          HD23      LEU  93  -0.626 -15.203   3.349
  755    H    GLY  94           HN       GLY  94  -3.730 -14.249   0.091
  756   1HA   GLY  94          HA2       GLY  94  -4.898 -14.063   2.530
  757   2HA   GLY  94          HA1       GLY  94  -5.705 -13.544   1.058
  758    H    ILE  95           HN       ILE  95  -5.933 -16.197  -0.060
  759    HA   ILE  95           HA       ILE  95  -8.426 -16.883   1.084
  760    HB   ILE  95           HB       ILE  95  -8.311 -18.877  -0.435
  761   1HG1  ILE  95          HG12      ILE  95  -5.805 -17.583  -1.451
  762   2HG1  ILE  95          HG11      ILE  95  -5.777 -18.958  -0.357
  763   1HG2  ILE  95          HG21      ILE  95  -7.789 -16.175  -1.606
  764   2HG2  ILE  95          HG22      ILE  95  -9.356 -16.838  -1.145
  765   3HG2  ILE  95          HG23      ILE  95  -8.458 -17.545  -2.491
  766   1HD1  ILE  95          HD11      ILE  95  -5.470 -19.638  -2.675
  767   2HD1  ILE  95          HD12      ILE  95  -7.021 -18.911  -3.097
  768   3HD1  ILE  95          HD13      ILE  95  -6.963 -20.297  -2.008
  769    H    ARG  96           HN       ARG  96  -7.235 -17.060   3.320
  770    HA   ARG  96           HA       ARG  96  -5.834 -19.401   3.955
  771   1HB   ARG  96          HB2       ARG  96  -6.330 -18.932   6.250
  772   2HB   ARG  96          HB1       ARG  96  -6.076 -17.395   5.430
  773   1HG   ARG  96          HG2       ARG  96  -7.932 -16.873   6.624
  774   2HG   ARG  96          HG1       ARG  96  -8.709 -17.521   5.180
  775   1HD   ARG  96          HD2       ARG  96  -9.776 -18.472   7.108
  776   2HD   ARG  96          HD1       ARG  96  -8.833 -19.732   6.314
  777    HE   ARG  96           HE       ARG  96  -7.262 -18.532   8.306
  778   1HH1  ARG  96          HH11      ARG  96 -10.056 -20.585   7.969
  779   2HH1  ARG  96          HH12      ARG  96  -9.804 -21.394   9.480
  780   1HH2  ARG  96          HH21      ARG  96  -6.921 -19.593  10.296
  781   2HH2  ARG  96          HH22      ARG  96  -8.021 -20.832  10.802
  782    H    LYS  97           HN       LYS  97  -9.157 -18.784   3.307
  783    HA   LYS  97           HA       LYS  97  -9.999 -21.419   4.226
  784   1HB   LYS  97          HB2       LYS  97 -12.217 -20.486   3.017
  785   2HB   LYS  97          HB1       LYS  97 -11.810 -20.101   4.681
  786   1HG   LYS  97          HG2       LYS  97 -10.802 -18.294   2.547
  787   2HG   LYS  97          HG1       LYS  97 -12.512 -18.220   2.954
  788   1HD   LYS  97          HD2       LYS  97 -12.119 -17.481   5.088
  789   2HD   LYS  97          HD1       LYS  97 -10.510 -18.202   5.158
  790   1HE   LYS  97          HE2       LYS  97  -9.613 -16.508   3.745
  791   2HE   LYS  97          HE1       LYS  97 -11.221 -15.876   3.387
  792   1HZ   LYS  97          HZ1       LYS  97  -9.915 -15.836   6.056
  793   2HZ   LYS  97          HZ2       LYS  97 -11.435 -15.194   5.683
  794   3HZ   LYS  97          HZ3       LYS  97 -10.043 -14.513   5.007
  795    H    LYS  98           HN       LYS  98  -8.693 -22.613   2.772
  796    HA   LYS  98           HA       LYS  98  -9.363 -22.390  -0.068
  797   1HB   LYS  98          HB2       LYS  98  -7.202 -23.990   1.315
  798   2HB   LYS  98          HB1       LYS  98  -7.442 -23.904  -0.423
  799   1HG   LYS  98          HG2       LYS  98  -7.089 -21.403  -0.213
  800   2HG   LYS  98          HG1       LYS  98  -6.531 -21.713   1.435
  801   1HD   LYS  98          HD2       LYS  98  -4.793 -23.182   0.594
  802   2HD   LYS  98          HD1       LYS  98  -5.371 -22.957  -1.058
  803   1HE   LYS  98          HE2       LYS  98  -3.433 -21.555  -0.637
  804   2HE   LYS  98          HE1       LYS  98  -4.869 -20.566  -0.899
  805   1HZ   LYS  98          HZ1       LYS  98  -5.070 -20.282   1.490
  806   2HZ   LYS  98          HZ2       LYS  98  -3.555 -19.752   0.957
  807   3HZ   LYS  98          HZ3       LYS  98  -3.700 -21.240   1.747
  808   1H    MET   1          HT1       MET   1  19.321  -4.963  -3.085
  809   2H    MET   1          HT2       MET   1  18.157  -3.761  -3.318
  810   3H    MET   1          HT3       MET   1  18.667  -4.704  -4.623
  811    HA   MET   1           HA       MET   1  17.711  -6.669  -3.639
  812   1HB   MET   1          HB2       MET   1  17.403  -4.808  -1.390
  813   2HB   MET   1          HB1       MET   1  16.036  -5.855  -1.658
  814   1HG   MET   1          HG2       MET   1  17.719  -6.730  -0.039
  815   2HG   MET   1          HG1       MET   1  17.361  -7.807  -1.342
  816   1HE   MET   1          HE1       MET   1  20.500  -8.430  -3.175
  817   2HE   MET   1          HE2       MET   1  18.749  -8.283  -3.332
  818   3HE   MET   1          HE3       MET   1  19.438  -9.312  -2.078
  819    H    ALA   2           HN       ALA   2  15.662  -7.272  -4.278
  820    HA   ALA   2           HA       ALA   2  14.054  -5.100  -5.426
  821   1HB   ALA   2          HB1       ALA   2  13.089  -6.929  -6.889
  822   2HB   ALA   2          HB2       ALA   2  14.402  -7.948  -6.303
  823   3HB   ALA   2          HB3       ALA   2  14.759  -6.472  -7.193
  824    H    ALA   3           HN       ALA   3  11.744  -5.420  -5.540
  825    HA   ALA   3           HA       ALA   3  10.646  -6.097  -3.007
  826   1HB   ALA   3          HB1       ALA   3   9.509  -5.231  -5.642
  827   2HB   ALA   3          HB2       ALA   3   9.535  -4.369  -4.103
  828   3HB   ALA   3          HB3       ALA   3   8.453  -5.742  -4.329
  829    H    GLU   4           HN       GLU   4  11.421  -8.328  -2.928
  830    HA   GLU   4           HA       GLU   4  10.367 -10.287  -4.707
  831   1HB   GLU   4          HB2       GLU   4  11.497 -10.751  -1.952
  832   2HB   GLU   4          HB1       GLU   4  11.445 -11.885  -3.295
  833   1HG   GLU   4          HG2       GLU   4  12.958 -10.326  -4.525
  834   2HG   GLU   4          HG1       GLU   4  13.099  -9.402  -3.035
  835    H    THR   5           HN       THR   5   9.829 -11.665  -1.679
  836    HA   THR   5           HA       THR   5   7.046 -11.760  -2.119
  837    HB   THR   5           HB       THR   5   8.203 -12.439   0.554
  838    HG1  THR   5           HG1      THR   5   9.583 -13.762  -0.339
  839   1HG2  THR   5          HG21      THR   5   5.971 -13.039   0.476
  840   2HG2  THR   5          HG22      THR   5   6.726 -14.517  -0.123
  841   3HG2  THR   5          HG23      THR   5   6.019 -13.370  -1.254
  842    H    LEU   6           HN       LEU   6   6.709 -11.385   1.067
  843    HA   LEU   6           HA       LEU   6   5.831  -8.659   0.702
  844   1HB   LEU   6          HB2       LEU   6   4.746  -9.048   3.004
  845   2HB   LEU   6          HB1       LEU   6   4.028  -9.735   1.565
  846    HG   LEU   6           HG       LEU   6   5.282 -11.827   2.126
  847   1HD1  LEU   6          HD11      LEU   6   6.863 -11.368   3.711
  848   2HD1  LEU   6          HD12      LEU   6   5.551 -11.957   4.732
  849   3HD1  LEU   6          HD13      LEU   6   5.825 -10.225   4.560
  850   1HD2  LEU   6          HD21      LEU   6   3.147 -12.312   2.557
  851   2HD2  LEU   6          HD22      LEU   6   2.858 -10.721   3.260
  852   3HD2  LEU   6          HD23      LEU   6   3.539 -12.009   4.251
  853    H    THR   7           HN       THR   7   6.979  -7.056   1.344
  854    HA   THR   7           HA       THR   7   9.194  -7.413   3.140
  855    HB   THR   7           HB       THR   7   8.553  -4.639   2.611
  856    HG1  THR   7           HG1      THR   7   7.659  -5.106   0.700
  857   1HG2  THR   7          HG21      THR   7  10.775  -4.701   2.868
  858   2HG2  THR   7          HG22      THR   7  10.845  -5.276   1.199
  859   3HG2  THR   7          HG23      THR   7  10.844  -6.431   2.532
  860    H    GLU   8           HN       GLU   8   9.493  -5.643   4.807
  861    HA   GLU   8           HA       GLU   8   7.980  -6.067   6.992
  862   1HB   GLU   8          HB2       GLU   8   8.961  -3.281   6.435
  863   2HB   GLU   8          HB1       GLU   8   8.917  -4.138   7.970
  864   1HG   GLU   8          HG2       GLU   8  10.795  -4.612   5.660
  865   2HG   GLU   8          HG1       GLU   8  11.187  -3.985   7.266
  866    H    LEU   9           HN       LEU   9   7.181  -4.031   4.314
  867    HA   LEU   9           HA       LEU   9   5.196  -2.409   5.300
  868   1HB   LEU   9          HB2       LEU   9   5.040  -3.734   2.611
  869   2HB   LEU   9          HB1       LEU   9   4.503  -2.129   3.060
  870    HG   LEU   9           HG       LEU   9   7.221  -3.099   2.357
  871   1HD1  LEU   9          HD11      LEU   9   7.286  -0.791   1.357
  872   2HD1  LEU   9          HD12      LEU   9   5.589  -0.645   1.813
  873   3HD1  LEU   9          HD13      LEU   9   6.094  -1.903   0.687
  874   1HD2  LEU   9          HD21      LEU   9   6.698  -1.097   4.511
  875   2HD2  LEU   9          HD22      LEU   9   8.056  -0.869   3.420
  876   3HD2  LEU   9          HD23      LEU   9   7.958  -2.321   4.397
  877    H    GLU  10           HN       GLU  10   5.072  -5.843   4.717
  878    HA   GLU  10           HA       GLU  10   2.293  -6.179   4.530
  879   1HB   GLU  10          HB2       GLU  10   2.839  -8.446   5.706
  880   2HB   GLU  10          HB1       GLU  10   3.477  -8.136   4.096
  881   1HG   GLU  10          HG2       GLU  10   5.544  -8.332   4.780
  882   2HG   GLU  10          HG1       GLU  10   5.291  -7.186   6.094
  883    H    ALA  11           HN       ALA  11   4.425  -5.691   7.276
  884    HA   ALA  11           HA       ALA  11   2.616  -6.193   9.345
  885   1HB   ALA  11          HB1       ALA  11   4.031  -4.862  10.745
  886   2HB   ALA  11          HB2       ALA  11   4.704  -4.015   9.353
  887   3HB   ALA  11          HB3       ALA  11   5.070  -5.720   9.607
  888    H    ALA  12           HN       ALA  12   2.979  -3.527   7.147
  889    HA   ALA  12           HA       ALA  12   1.217  -1.753   8.532
  890   1HB   ALA  12          HB1       ALA  12   1.379  -0.350   6.568
  891   2HB   ALA  12          HB2       ALA  12   2.100  -1.667   5.647
  892   3HB   ALA  12          HB3       ALA  12   2.981  -0.950   6.996
  893    H    ILE  13           HN       ILE  13   0.884  -4.335   6.234
  894    HA   ILE  13           HA       ILE  13  -1.562  -3.719   5.087
  895    HB   ILE  13           HB       ILE  13   0.043  -5.760   4.693
  896   1HG1  ILE  13          HG12      ILE  13  -1.915  -5.102   3.323
  897   2HG1  ILE  13          HG11      ILE  13  -1.696  -6.846   3.407
  898   1HG2  ILE  13          HG21      ILE  13  -2.035  -7.339   6.108
  899   2HG2  ILE  13          HG22      ILE  13  -0.732  -6.642   7.066
  900   3HG2  ILE  13          HG23      ILE  13  -0.359  -7.745   5.741
  901   1HD1  ILE  13          HD11      ILE  13  -3.977  -6.558   3.652
  902   2HD1  ILE  13          HD12      ILE  13  -3.787  -5.141   4.683
  903   3HD1  ILE  13          HD13      ILE  13  -3.416  -6.746   5.314
  904    H    GLU  14           HN       GLU  14  -0.741  -4.826   8.266
  905    HA   GLU  14           HA       GLU  14  -3.246  -5.740   9.142
  906   1HB   GLU  14          HB2       GLU  14  -0.982  -4.523  10.729
  907   2HB   GLU  14          HB1       GLU  14  -2.340  -5.404  11.415
  908   1HG   GLU  14          HG2       GLU  14  -0.321  -6.544   9.497
  909   2HG   GLU  14          HG1       GLU  14  -0.312  -6.770  11.246
  910    H    THR  15           HN       THR  15  -1.792  -2.481   9.197
  911    HA   THR  15           HA       THR  15  -3.834  -1.327  10.731
  912    HB   THR  15           HB       THR  15  -1.981  -0.015   8.750
  913    HG1  THR  15           HG1      THR  15  -0.816   0.510  10.726
  914   1HG2  THR  15          HG21      THR  15  -2.437   2.047  10.023
  915   2HG2  THR  15          HG22      THR  15  -3.631   1.174  10.983
  916   3HG2  THR  15          HG23      THR  15  -3.889   1.409   9.254
  917    H    VAL  16           HN       VAL  16  -3.113  -1.175   7.297
  918    HA   VAL  16           HA       VAL  16  -5.430   0.149   6.441
  919    HB   VAL  16           HB       VAL  16  -3.400  -0.070   5.085
  920   1HG1  VAL  16          HG11      VAL  16  -2.773  -2.333   5.719
  921   2HG1  VAL  16          HG12      VAL  16  -2.874  -2.187   3.964
  922   3HG1  VAL  16          HG13      VAL  16  -4.169  -2.982   4.858
  923   1HG2  VAL  16          HG21      VAL  16  -4.623  -1.046   2.959
  924   2HG2  VAL  16          HG22      VAL  16  -5.116   0.481   3.679
  925   3HG2  VAL  16          HG23      VAL  16  -6.030  -0.986   4.021
  926    H    VAL  17           HN       VAL  17  -4.812  -3.284   6.981
  927    HA   VAL  17           HA       VAL  17  -7.307  -4.053   5.784
  928    HB   VAL  17           HB       VAL  17  -5.306  -5.545   5.816
  929   1HG1  VAL  17          HG11      VAL  17  -4.832  -5.029   8.277
  930   2HG1  VAL  17          HG12      VAL  17  -4.623  -6.694   7.737
  931   3HG1  VAL  17          HG13      VAL  17  -6.069  -6.232   8.634
  932   1HG2  VAL  17          HG21      VAL  17  -7.515  -6.402   5.292
  933   2HG2  VAL  17          HG22      VAL  17  -7.846  -6.643   7.007
  934   3HG2  VAL  17          HG23      VAL  17  -6.596  -7.596   6.209
  935    H    SER  18           HN       SER  18  -6.055  -3.616   9.043
  936    HA   SER  18           HA       SER  18  -8.492  -4.508  10.280
  937   1HB   SER  18          HB2       SER  18  -6.071  -3.144  11.478
  938   2HB   SER  18          HB1       SER  18  -7.393  -3.869  12.395
  939    HG   SER  18           HG       SER  18  -5.924  -5.360  10.500
  940    H    THR  19           HN       THR  19  -7.462  -1.559   8.933
  941    HA   THR  19           HA       THR  19  -9.117   0.036  10.692
  942    HB   THR  19           HB       THR  19  -8.518   1.964   9.249
  943    HG1  THR  19           HG1      THR  19  -7.298  -0.075   7.743
  944   1HG2  THR  19          HG21      THR  19  -7.084   1.912  11.011
  945   2HG2  THR  19          HG22      THR  19  -5.921   1.629   9.716
  946   3HG2  THR  19          HG23      THR  19  -6.536   0.274  10.665
  947    H    PHE  20           HN       PHE  20  -9.090   0.469   7.216
  948    HA   PHE  20           HA       PHE  20 -11.937   0.888   7.223
  949   1HB   PHE  20          HB2       PHE  20 -10.742   2.414   5.914
  950   2HB   PHE  20          HB1       PHE  20  -9.723   1.158   5.227
  951    HD1  PHE  20           HD1      PHE  20  -9.988   0.984   2.981
  952    HD2  PHE  20           HD2      PHE  20 -13.419   1.734   5.383
  953    HE1  PHE  20           HE1      PHE  20 -11.399   0.920   0.972
  954    HE2  PHE  20           HE2      PHE  20 -14.839   1.669   3.376
  955    HZ   PHE  20           HZ       PHE  20 -13.826   1.260   1.166
  956    H    PHE  21           HN       PHE  21  -9.747  -1.499   5.887
  957    HA   PHE  21           HA       PHE  21 -11.605  -2.802   4.319
  958   1HB   PHE  21          HB2       PHE  21  -9.142  -3.884   5.681
  959   2HB   PHE  21          HB1       PHE  21 -10.001  -4.702   4.400
  960    HD1  PHE  21           HD1      PHE  21  -7.305  -4.453   3.897
  961    HD2  PHE  21           HD2      PHE  21 -10.278  -1.443   3.465
  962    HE1  PHE  21           HE1      PHE  21  -5.876  -3.276   2.302
  963    HE2  PHE  21           HE2      PHE  21  -8.850  -0.270   1.854
  964    HZ   PHE  21           HZ       PHE  21  -6.644  -1.181   1.260
  965    H    THR  22           HN       THR  22 -11.422  -2.711   7.701
  966    HA   THR  22           HA       THR  22 -12.419  -5.241   8.353
  967    HB   THR  22           HB       THR  22 -13.220  -4.248  10.429
  968    HG1  THR  22           HG1      THR  22 -13.813  -2.202   9.166
  969   1HG2  THR  22          HG21      THR  22 -10.598  -3.079   9.553
  970   2HG2  THR  22          HG22      THR  22 -10.830  -4.729  10.129
  971   3HG2  THR  22          HG23      THR  22 -11.114  -3.369  11.216
  972    H    PHE  23           HN       PHE  23 -13.874  -2.630   6.712
  973    HA   PHE  23           HA       PHE  23 -16.553  -3.057   7.405
  974   1HB   PHE  23          HB2       PHE  23 -16.883  -1.260   6.125
  975   2HB   PHE  23          HB1       PHE  23 -15.140  -1.223   5.956
  976    HD1  PHE  23           HD1      PHE  23 -14.474  -0.622   3.970
  977    HD2  PHE  23           HD2      PHE  23 -17.917  -3.085   4.173
  978    HE1  PHE  23           HE1      PHE  23 -14.644  -0.578   1.534
  979    HE2  PHE  23           HE2      PHE  23 -18.083  -3.063   1.739
  980    HZ   PHE  23           HZ       PHE  23 -16.457  -1.784   0.430
  981    H    ALA  24           HN       ALA  24 -14.425  -4.989   5.626
  982    HA   ALA  24           HA       ALA  24 -15.778  -6.236   3.654
  983   1HB   ALA  24          HB1       ALA  24 -13.534  -6.856   4.781
  984   2HB   ALA  24          HB2       ALA  24 -14.476  -8.130   4.012
  985   3HB   ALA  24          HB3       ALA  24 -14.514  -7.939   5.765
  986    H    GLY  25           HN       GLY  25 -16.156  -6.969   7.087
  987   1HA   GLY  25          HA2       GLY  25 -17.971  -8.908   7.228
  988   2HA   GLY  25          HA1       GLY  25 -18.081  -7.495   8.270
  989    H    ARG  26           HN       ARG  26 -18.685  -5.716   5.911
  990    HA   ARG  26           HA       ARG  26 -21.381  -5.483   5.962
  991   1HB   ARG  26          HB2       ARG  26 -19.356  -4.951   3.836
  992   2HB   ARG  26          HB1       ARG  26 -21.056  -4.881   3.375
  993   1HG   ARG  26          HG2       ARG  26 -19.954  -3.350   5.707
  994   2HG   ARG  26          HG1       ARG  26 -19.984  -2.712   4.062
  995   1HD   ARG  26          HD2       ARG  26 -22.297  -2.645   3.992
  996   2HD   ARG  26          HD1       ARG  26 -22.473  -3.805   5.308
  997    HE   ARG  26           HE       ARG  26 -21.317  -1.754   6.561
  998   1HH1  ARG  26          HH11      ARG  26 -24.017  -1.856   4.356
  999   2HH1  ARG  26          HH12      ARG  26 -24.793  -0.470   5.045
 1000   1HH2  ARG  26          HH21      ARG  26 -22.337   0.065   7.473
 1001   2HH2  ARG  26          HH22      ARG  26 -23.840   0.621   6.815
 1002    H    GLU  27           HN       GLU  27 -19.574  -7.434   3.656
 1003    HA   GLU  27           HA       GLU  27 -21.954  -8.866   2.811
 1004   1HB   GLU  27          HB2       GLU  27 -19.030  -9.284   2.157
 1005   2HB   GLU  27          HB1       GLU  27 -20.340 -10.223   1.457
 1006   1HG   GLU  27          HG2       GLU  27 -21.284  -8.087   0.572
 1007   2HG   GLU  27          HG1       GLU  27 -19.810  -7.286   1.116
 1008    H    GLY  28           HN       GLY  28 -22.759 -10.599   3.781
 1009   1HA   GLY  28          HA2       GLY  28 -22.068 -11.660   6.165
 1010   2HA   GLY  28          HA1       GLY  28 -22.878 -12.598   4.925
 1011    H    ARG  29           HN       ARG  29 -21.435 -13.647   3.305
 1012    HA   ARG  29           HA       ARG  29 -19.832 -15.513   4.394
 1013   1HB   ARG  29          HB2       ARG  29 -20.553 -15.531   2.051
 1014   2HB   ARG  29          HB1       ARG  29 -19.415 -14.243   1.685
 1015   1HG   ARG  29          HG2       ARG  29 -18.529 -16.361   0.956
 1016   2HG   ARG  29          HG1       ARG  29 -17.558 -15.733   2.290
 1017   1HD   ARG  29          HD2       ARG  29 -17.900 -18.075   2.648
 1018   2HD   ARG  29          HD1       ARG  29 -18.860 -17.192   3.833
 1019    HE   ARG  29           HE       ARG  29 -20.480 -17.712   1.618
 1020   1HH1  ARG  29          HH11      ARG  29 -18.845 -19.443   4.160
 1021   2HH1  ARG  29          HH12      ARG  29 -19.984 -20.747   4.182
 1022   1HH2  ARG  29          HH21      ARG  29 -21.985 -19.428   1.637
 1023   2HH2  ARG  29          HH22      ARG  29 -21.768 -20.740   2.748
 1024    H    LYS  30           HN       LYS  30 -17.500 -15.897   4.337
 1025    HA   LYS  30           HA       LYS  30 -16.026 -13.498   5.210
 1026   1HB   LYS  30          HB2       LYS  30 -15.036 -16.351   5.395
 1027   2HB   LYS  30          HB1       LYS  30 -14.576 -14.960   6.371
 1028   1HG   LYS  30          HG2       LYS  30 -16.739 -14.977   7.469
 1029   2HG   LYS  30          HG1       LYS  30 -17.258 -16.327   6.456
 1030   1HD   LYS  30          HD2       LYS  30 -15.466 -17.712   7.403
 1031   2HD   LYS  30          HD1       LYS  30 -14.972 -16.363   8.427
 1032   1HE   LYS  30          HE2       LYS  30 -17.157 -16.390   9.520
 1033   2HE   LYS  30          HE1       LYS  30 -17.666 -17.722   8.483
 1034   1HZ   LYS  30          HZ1       LYS  30 -15.904 -19.082   9.448
 1035   2HZ   LYS  30          HZ2       LYS  30 -16.968 -18.528  10.640
 1036   3HZ   LYS  30          HZ3       LYS  30 -15.450 -17.804  10.461
 1037    H    GLY  31           HN       GLY  31 -16.415 -13.556   2.522
 1038   1HA   GLY  31          HA2       GLY  31 -13.958 -14.672   1.311
 1039   2HA   GLY  31          HA1       GLY  31 -15.358 -14.053   0.434
 1040    H    SER  32           HN       SER  32 -15.712 -11.711   0.512
 1041    HA   SER  32           HA       SER  32 -13.290 -10.279   1.237
 1042   1HB   SER  32          HB2       SER  32 -12.737 -10.640  -0.985
 1043   2HB   SER  32          HB1       SER  32 -14.402 -10.482  -1.539
 1044    HG   SER  32           HG       SER  32 -12.483  -8.612  -1.338
 1045    H    LEU  33           HN       LEU  33 -13.556  -7.956   0.655
 1046    HA   LEU  33           HA       LEU  33 -15.978  -6.991   1.937
 1047   1HB   LEU  33          HB2       LEU  33 -14.021  -6.113   2.886
 1048   2HB   LEU  33          HB1       LEU  33 -13.266  -5.976   1.324
 1049    HG   LEU  33           HG       LEU  33 -15.578  -4.205   1.878
 1050   1HD1  LEU  33          HD11      LEU  33 -13.052  -4.226   3.388
 1051   2HD1  LEU  33          HD12      LEU  33 -14.620  -3.588   3.825
 1052   3HD1  LEU  33          HD13      LEU  33 -13.559  -2.667   2.762
 1053   1HD2  LEU  33          HD21      LEU  33 -14.594  -2.856   0.287
 1054   2HD2  LEU  33          HD22      LEU  33 -14.065  -4.440  -0.263
 1055   3HD2  LEU  33          HD23      LEU  33 -12.972  -3.411   0.657
 1056    H    ASN  34           HN       ASN  34 -17.151  -5.043   0.905
 1057    HA   ASN  34           HA       ASN  34 -16.742  -5.263  -1.994
 1058   1HB   ASN  34          HB2       ASN  34 -18.815  -6.373  -1.029
 1059   2HB   ASN  34          HB1       ASN  34 -19.411  -4.752  -0.712
 1060   1HD2  ASN  34          HD21      ASN  34 -18.561  -7.079  -3.151
 1061   2HD2  ASN  34          HD22      ASN  34 -19.363  -6.299  -4.466
 1062    H    ILE  35           HN       ILE  35 -19.114  -3.091  -1.599
 1063    HA   ILE  35           HA       ILE  35 -17.316  -0.896  -1.037
 1064    HB   ILE  35           HB       ILE  35 -18.596   0.303  -3.024
 1065   1HG1  ILE  35          HG12      ILE  35 -18.671  -1.245  -4.976
 1066   2HG1  ILE  35          HG11      ILE  35 -18.395  -2.593  -3.880
 1067   1HG2  ILE  35          HG21      ILE  35 -16.107  -1.377  -3.181
 1068   2HG2  ILE  35          HG22      ILE  35 -16.233   0.336  -2.789
 1069   3HG2  ILE  35          HG23      ILE  35 -16.582  -0.222  -4.420
 1070   1HD1  ILE  35          HD11      ILE  35 -20.764  -0.740  -3.863
 1071   2HD1  ILE  35          HD12      ILE  35 -20.485  -2.060  -2.726
 1072   3HD1  ILE  35          HD13      ILE  35 -20.736  -2.408  -4.437
 1073    H    ASN  36           HN       ASN  36 -19.435  -2.040   0.474
 1074    HA   ASN  36           HA       ASN  36 -21.649  -0.199   0.322
 1075   1HB   ASN  36          HB2       ASN  36 -21.003  -2.193   2.507
 1076   2HB   ASN  36          HB1       ASN  36 -22.536  -1.365   2.259
 1077   1HD2  ASN  36          HD21      ASN  36 -22.515  -1.657  -0.609
 1078   2HD2  ASN  36          HD22      ASN  36 -22.848  -3.318  -0.940
 1079    H    GLU  37           HN       GLU  37 -19.360  -1.035   2.973
 1080    HA   GLU  37           HA       GLU  37 -19.746   1.628   3.989
 1081   1HB   GLU  37          HB2       GLU  37 -17.380   0.038   4.735
 1082   2HB   GLU  37          HB1       GLU  37 -18.311   1.140   5.717
 1083   1HG   GLU  37          HG2       GLU  37 -20.193  -0.669   5.221
 1084   2HG   GLU  37          HG1       GLU  37 -18.775  -1.709   5.137
 1085    H    PHE  38           HN       PHE  38 -17.645   0.240   1.597
 1086    HA   PHE  38           HA       PHE  38 -15.538   2.018   1.582
 1087   1HB   PHE  38          HB2       PHE  38 -15.940   0.075  -0.026
 1088   2HB   PHE  38          HB1       PHE  38 -17.042   1.137  -0.895
 1089    HD1  PHE  38           HD1      PHE  38 -15.957   3.505  -1.468
 1090    HD2  PHE  38           HD2      PHE  38 -13.822  -0.112  -0.865
 1091    HE1  PHE  38           HE1      PHE  38 -14.091   4.400  -2.799
 1092    HE2  PHE  38           HE2      PHE  38 -11.941   0.768  -2.190
 1093    HZ   PHE  38           HZ       PHE  38 -12.076   3.028  -3.160
 1094    H    LYS  39           HN       LYS  39 -18.886   2.367   0.788
 1095    HA   LYS  39           HA       LYS  39 -18.900   4.790  -0.564
 1096   1HB   LYS  39          HB2       LYS  39 -20.986   3.708   1.310
 1097   2HB   LYS  39          HB1       LYS  39 -21.248   4.889   0.029
 1098   1HG   LYS  39          HG2       LYS  39 -19.949   2.628  -1.064
 1099   2HG   LYS  39          HG1       LYS  39 -21.337   2.070  -0.122
 1100   1HD   LYS  39          HD2       LYS  39 -22.695   3.846  -1.317
 1101   2HD   LYS  39          HD1       LYS  39 -21.331   3.997  -2.429
 1102   1HE   LYS  39          HE2       LYS  39 -21.519   1.571  -2.899
 1103   2HE   LYS  39          HE1       LYS  39 -22.947   1.513  -1.871
 1104   1HZ   LYS  39          HZ1       LYS  39 -22.691   3.188  -4.310
 1105   2HZ   LYS  39          HZ2       LYS  39 -24.071   3.025  -3.346
 1106   3HZ   LYS  39          HZ3       LYS  39 -23.501   1.703  -4.235
 1107    H    GLU  40           HN       GLU  40 -18.110   4.112   2.638
 1108    HA   GLU  40           HA       GLU  40 -18.631   6.753   3.635
 1109   1HB   GLU  40          HB2       GLU  40 -18.208   5.901   5.716
 1110   2HB   GLU  40          HB1       GLU  40 -18.583   4.392   4.893
 1111   1HG   GLU  40          HG2       GLU  40 -16.305   3.782   4.770
 1112   2HG   GLU  40          HG1       GLU  40 -15.764   5.401   5.203
 1113    H    LEU  41           HN       LEU  41 -16.391   5.513   1.530
 1114    HA   LEU  41           HA       LEU  41 -14.002   6.724   2.591
 1115   1HB   LEU  41          HB2       LEU  41 -14.614   5.475  -0.069
 1116   2HB   LEU  41          HB1       LEU  41 -13.038   6.072   0.386
 1117    HG   LEU  41           HG       LEU  41 -14.473   3.609   1.222
 1118   1HD1  LEU  41          HD11      LEU  41 -12.811   2.685   0.090
 1119   2HD1  LEU  41          HD12      LEU  41 -11.623   3.458   1.140
 1120   3HD1  LEU  41          HD13      LEU  41 -12.204   4.295  -0.300
 1121   1HD2  LEU  41          HD21      LEU  41 -12.503   3.559   3.020
 1122   2HD2  LEU  41          HD22      LEU  41 -14.108   4.184   3.399
 1123   3HD2  LEU  41          HD23      LEU  41 -12.799   5.295   3.002
 1124    H    ALA  42           HN       ALA  42 -15.022   7.103  -0.746
 1125    HA   ALA  42           HA       ALA  42 -13.991   9.520  -1.285
 1126   1HB   ALA  42          HB1       ALA  42 -16.510   9.483  -2.541
 1127   2HB   ALA  42          HB2       ALA  42 -15.892   7.834  -2.464
 1128   3HB   ALA  42          HB3       ALA  42 -14.933   9.098  -3.223
 1129    H    THR  43           HN       THR  43 -17.042   8.894   0.295
 1130    HA   THR  43           HA       THR  43 -18.146  11.401   0.284
 1131    HB   THR  43           HB       THR  43 -19.178  10.656   2.539
 1132    HG1  THR  43           HG1      THR  43 -18.018   8.169   1.744
 1133   1HG2  THR  43          HG21      THR  43 -20.484  10.456   0.589
 1134   2HG2  THR  43          HG22      THR  43 -20.497   8.842   1.301
 1135   3HG2  THR  43          HG23      THR  43 -19.450   9.195  -0.071
 1136    H    GLN  44           HN       GLN  44 -16.267  10.010   2.965
 1137    HA   GLN  44           HA       GLN  44 -15.801  12.602   4.187
 1138   1HB   GLN  44          HB2       GLN  44 -14.607   9.878   4.789
 1139   2HB   GLN  44          HB1       GLN  44 -14.602  11.286   5.864
 1140   1HG   GLN  44          HG2       GLN  44 -17.059  11.174   5.970
 1141   2HG   GLN  44          HG1       GLN  44 -17.017   9.736   4.943
 1142   1HE2  GLN  44          HE21      GLN  44 -17.968   8.441   6.503
 1143   2HE2  GLN  44          HE22      GLN  44 -17.133   7.935   7.928
 1144    H    GLN  45           HN       GLN  45 -14.130  10.290   2.243
 1145    HA   GLN  45           HA       GLN  45 -11.511  11.163   2.361
 1146   1HB   GLN  45          HB2       GLN  45 -13.205   9.941   0.233
 1147   2HB   GLN  45          HB1       GLN  45 -11.521  10.297  -0.072
 1148   1HG   GLN  45          HG2       GLN  45 -12.200   8.737   2.346
 1149   2HG   GLN  45          HG1       GLN  45 -12.345   7.930   0.777
 1150   1HE2  GLN  45          HE21      GLN  45 -10.574   7.146  -0.112
 1151   2HE2  GLN  45          HE22      GLN  45  -8.959   7.491   0.388
 1152    H    LEU  46           HN       LEU  46 -14.336  12.329   0.646
 1153    HA   LEU  46           HA       LEU  46 -13.376  14.046  -1.216
 1154   1HB   LEU  46          HB2       LEU  46 -15.769  14.112   0.529
 1155   2HB   LEU  46          HB1       LEU  46 -15.336  15.616  -0.247
 1156    HG   LEU  46           HG       LEU  46 -16.076  13.021  -1.599
 1157   1HD1  LEU  46          HD11      LEU  46 -17.352  15.746  -1.651
 1158   2HD1  LEU  46          HD12      LEU  46 -17.933  14.359  -0.731
 1159   3HD1  LEU  46          HD13      LEU  46 -17.920  14.306  -2.493
 1160   1HD2  LEU  46          HD21      LEU  46 -14.309  13.954  -2.906
 1161   2HD2  LEU  46          HD22      LEU  46 -14.988  15.575  -2.765
 1162   3HD2  LEU  46          HD23      LEU  46 -15.829  14.346  -3.709
 1163    HA   PRO  47           HA       PRO  47 -12.312  17.542   1.563
 1164   1HB   PRO  47          HB2       PRO  47 -13.110  17.773   4.102
 1165   2HB   PRO  47          HB1       PRO  47 -14.151  18.264   2.760
 1166   1HG   PRO  47          HG2       PRO  47 -14.221  15.775   4.419
 1167   2HG   PRO  47          HG1       PRO  47 -15.570  16.746   3.803
 1168   1HD   PRO  47          HD2       PRO  47 -14.701  14.411   2.646
 1169   2HD   PRO  47          HD1       PRO  47 -15.546  15.704   1.773
 1170    H    HIS  48           HN       HIS  48 -10.473  16.406   1.380
 1171    HA   HIS  48           HA       HIS  48  -9.201  15.387   3.784
 1172   1HB   HIS  48          HB2       HIS  48  -8.884  14.188   1.666
 1173   2HB   HIS  48          HB1       HIS  48  -8.323  15.692   0.916
 1174    HD1  HIS  48           HD1      HIS  48  -5.810  16.044   1.038
 1175    HD2  HIS  48           HD2      HIS  48  -7.115  13.274   3.831
 1176    HE1  HIS  48           HE1      HIS  48  -3.727  15.181   2.141
 1177    HE2  HIS  48           HE2      HIS  48  -4.563  13.654   3.958
 1178    H    LEU  49           HN       LEU  49  -6.748  16.396   3.890
 1179    HA   LEU  49           HA       LEU  49  -7.045  19.195   4.083
 1180   1HB   LEU  49          HB2       LEU  49  -4.532  17.503   4.015
 1181   2HB   LEU  49          HB1       LEU  49  -4.560  19.213   4.398
 1182    HG   LEU  49           HG       LEU  49  -5.728  16.954   6.013
 1183   1HD1  LEU  49          HD11      LEU  49  -3.602  19.005   6.607
 1184   2HD1  LEU  49          HD12      LEU  49  -3.339  17.293   6.281
 1185   3HD1  LEU  49          HD13      LEU  49  -4.203  17.792   7.736
 1186   1HD2  LEU  49          HD21      LEU  49  -6.019  19.925   6.428
 1187   2HD2  LEU  49          HD22      LEU  49  -6.469  18.685   7.597
 1188   3HD2  LEU  49          HD23      LEU  49  -7.310  18.785   6.050
 1189    H    LEU  50           HN       LEU  50  -4.594  17.548   2.090
 1190    HA   LEU  50           HA       LEU  50  -4.911  19.508  -0.031
 1191   1HB   LEU  50          HB2       LEU  50  -2.674  18.687   0.713
 1192   2HB   LEU  50          HB1       LEU  50  -3.091  17.100   0.097
 1193    HG   LEU  50           HG       LEU  50  -3.270  18.049  -2.181
 1194   1HD1  LEU  50          HD11      LEU  50  -2.248  20.573  -0.889
 1195   2HD1  LEU  50          HD12      LEU  50  -3.863  20.337  -1.556
 1196   3HD1  LEU  50          HD13      LEU  50  -2.456  20.300  -2.619
 1197   1HD2  LEU  50          HD21      LEU  50  -0.891  18.347  -2.547
 1198   2HD2  LEU  50          HD22      LEU  50  -1.171  17.048  -1.387
 1199   3HD2  LEU  50          HD23      LEU  50  -0.641  18.633  -0.825
 1200    H    LYS  51           HN       LYS  51  -7.260  18.163   0.177
 1201    HA   LYS  51           HA       LYS  51  -7.816  15.801  -0.938
 1202   1HB   LYS  51          HB2       LYS  51  -9.561  17.120  -0.125
 1203   2HB   LYS  51          HB1       LYS  51  -9.228  18.434  -1.232
 1204   1HG   LYS  51          HG2       LYS  51  -9.913  16.762  -3.053
 1205   2HG   LYS  51          HG1       LYS  51 -10.616  15.814  -1.738
 1206   1HD   LYS  51          HD2       LYS  51 -11.314  18.595  -2.684
 1207   2HD   LYS  51          HD1       LYS  51 -12.350  17.171  -2.619
 1208   1HE   LYS  51          HE2       LYS  51 -12.933  17.566  -0.504
 1209   2HE   LYS  51          HE1       LYS  51 -11.274  17.906  -0.006
 1210   1HZ   LYS  51          HZ1       LYS  51 -13.124  19.803  -1.366
 1211   2HZ   LYS  51          HZ2       LYS  51 -11.526  20.146  -0.929
 1212   3HZ   LYS  51          HZ3       LYS  51 -12.684  19.844   0.267
 1213    H    ASP  52           HN       ASP  52  -8.606  15.094  -2.954
 1214    HA   ASP  52           HA       ASP  52  -7.071  16.192  -5.217
 1215   1HB   ASP  52          HB2       ASP  52  -8.145  13.404  -4.702
 1216   2HB   ASP  52          HB1       ASP  52  -7.426  13.911  -6.230
 1217    H    VAL  53           HN       VAL  53 -10.159  15.119  -4.025
 1218    HA   VAL  53           HA       VAL  53 -12.209  15.927  -4.493
 1219    HB   VAL  53           HB       VAL  53 -10.941  17.788  -5.787
 1220   1HG1  VAL  53          HG11      VAL  53 -11.113  17.922  -8.067
 1221   2HG1  VAL  53          HG12      VAL  53 -12.493  16.828  -8.133
 1222   3HG1  VAL  53          HG13      VAL  53 -10.874  16.185  -7.888
 1223   1HG2  VAL  53          HG21      VAL  53 -13.854  17.139  -6.096
 1224   2HG2  VAL  53          HG22      VAL  53 -13.144  18.718  -6.430
 1225   3HG2  VAL  53          HG23      VAL  53 -13.092  18.056  -4.796
 1226    H    GLY  54           HN       GLY  54 -12.655  13.824  -4.406
 1227   1HA   GLY  54          HA2       GLY  54 -12.783  12.030  -6.577
 1228   2HA   GLY  54          HA1       GLY  54 -13.748  11.926  -5.135
 1229    H    SER  55           HN       SER  55 -13.984  11.985  -8.323
 1230    HA   SER  55           HA       SER  55 -16.183  13.803  -8.664
 1231   1HB   SER  55          HB2       SER  55 -14.419  13.099 -10.364
 1232   2HB   SER  55          HB1       SER  55 -15.359  11.617 -10.558
 1233    HG   SER  55           HG       SER  55 -16.562  14.164 -10.786
 1234    H    LEU  56           HN       LEU  56 -18.257  13.398  -8.341
 1235    HA   LEU  56           HA       LEU  56 -19.306  11.370  -6.932
 1236   1HB   LEU  56          HB2       LEU  56 -21.502  11.932  -7.842
 1237   2HB   LEU  56          HB1       LEU  56 -20.561  13.362  -7.462
 1238    HG   LEU  56           HG       LEU  56 -19.948  13.068 -10.084
 1239   1HD1  LEU  56          HD11      LEU  56 -21.916  12.482 -11.329
 1240   2HD1  LEU  56          HD12      LEU  56 -22.827  12.212  -9.844
 1241   3HD1  LEU  56          HD13      LEU  56 -21.496  11.137 -10.268
 1242   1HD2  LEU  56          HD21      LEU  56 -20.709  15.106  -8.959
 1243   2HD2  LEU  56          HD22      LEU  56 -22.363  14.491  -8.972
 1244   3HD2  LEU  56          HD23      LEU  56 -21.547  14.856 -10.491
 1245    H    ASP  57           HN       ASP  57 -19.104  11.322 -10.498
 1246    HA   ASP  57           HA       ASP  57 -20.383   8.824 -10.746
 1247   1HB   ASP  57          HB2       ASP  57 -19.029   8.711 -12.931
 1248   2HB   ASP  57          HB1       ASP  57 -20.302   9.925 -12.780
 1249    H    GLU  58           HN       GLU  58 -17.055   9.716 -10.641
 1250    HA   GLU  58           HA       GLU  58 -15.788   7.305 -11.058
 1251   1HB   GLU  58          HB2       GLU  58 -15.064   9.629  -9.268
 1252   2HB   GLU  58          HB1       GLU  58 -14.012   8.227  -9.450
 1253   1HG   GLU  58          HG2       GLU  58 -13.910   8.638 -11.873
 1254   2HG   GLU  58          HG1       GLU  58 -14.897  10.081 -11.651
 1255    H    LYS  59           HN       LYS  59 -17.264   8.642  -8.211
 1256    HA   LYS  59           HA       LYS  59 -16.518   6.652  -6.401
 1257   1HB   LYS  59          HB2       LYS  59 -18.758   8.646  -6.456
 1258   2HB   LYS  59          HB1       LYS  59 -18.572   7.503  -5.125
 1259   1HG   LYS  59          HG2       LYS  59 -17.073   8.803  -4.198
 1260   2HG   LYS  59          HG1       LYS  59 -16.058   8.739  -5.630
 1261   1HD   LYS  59          HD2       LYS  59 -16.444  11.026  -5.317
 1262   2HD   LYS  59          HD1       LYS  59 -17.613  10.556  -6.555
 1263   1HE   LYS  59          HE2       LYS  59 -19.396  10.472  -4.980
 1264   2HE   LYS  59          HE1       LYS  59 -18.283  10.645  -3.625
 1265   1HZ   LYS  59          HZ1       LYS  59 -19.517  12.699  -4.226
 1266   2HZ   LYS  59          HZ2       LYS  59 -18.682  12.730  -5.696
 1267   3HZ   LYS  59          HZ3       LYS  59 -17.835  12.880  -4.241
 1268    H    MET  60           HN       MET  60 -19.064   6.878  -8.738
 1269    HA   MET  60           HA       MET  60 -20.496   4.601  -7.648
 1270   1HB   MET  60          HB2       MET  60 -20.851   6.162 -10.224
 1271   2HB   MET  60          HB1       MET  60 -21.928   4.879  -9.677
 1272   1HG   MET  60          HG2       MET  60 -21.375   7.410  -8.147
 1273   2HG   MET  60          HG1       MET  60 -22.761   7.161  -9.208
 1274   1HE   MET  60          HE1       MET  60 -24.685   5.414  -8.744
 1275   2HE   MET  60          HE2       MET  60 -24.704   4.312  -7.367
 1276   3HE   MET  60          HE3       MET  60 -23.496   4.116  -8.637
 1277    H    LYS  61           HN       LYS  61 -18.132   5.210 -10.138
 1278    HA   LYS  61           HA       LYS  61 -18.441   2.609 -11.375
 1279   1HB   LYS  61          HB2       LYS  61 -15.963   3.968 -12.047
 1280   2HB   LYS  61          HB1       LYS  61 -17.265   3.413 -13.087
 1281   1HG   LYS  61          HG2       LYS  61 -18.519   5.479 -12.538
 1282   2HG   LYS  61          HG1       LYS  61 -17.129   6.021 -11.592
 1283   1HD   LYS  61          HD2       LYS  61 -17.085   5.378 -14.541
 1284   2HD   LYS  61          HD1       LYS  61 -17.176   7.002 -13.857
 1285   1HE   LYS  61          HE2       LYS  61 -15.021   6.643 -12.746
 1286   2HE   LYS  61          HE1       LYS  61 -14.931   5.028 -13.448
 1287   1HZ   LYS  61          HZ1       LYS  61 -14.997   7.576 -14.974
 1288   2HZ   LYS  61          HZ2       LYS  61 -14.914   6.027 -15.650
 1289   3HZ   LYS  61          HZ3       LYS  61 -13.630   6.612 -14.718
 1290    H    THR  62           HN       THR  62 -15.682   4.263  -9.873
 1291    HA   THR  62           HA       THR  62 -13.990   2.147  -9.545
 1292    HB   THR  62           HB       THR  62 -14.455   4.339  -7.512
 1293    HG1  THR  62           HG1      THR  62 -13.971   5.076  -9.659
 1294   1HG2  THR  62          HG21      THR  62 -13.107   2.500  -6.615
 1295   2HG2  THR  62          HG22      THR  62 -12.120   3.940  -6.868
 1296   3HG2  THR  62          HG23      THR  62 -12.035   2.600  -8.012
 1297    H    LEU  63           HN       LEU  63 -16.877   2.912  -7.811
 1298    HA   LEU  63           HA       LEU  63 -16.794   1.301  -5.584
 1299   1HB   LEU  63          HB2       LEU  63 -18.578   2.823  -6.038
 1300   2HB   LEU  63          HB1       LEU  63 -19.036   1.957  -7.487
 1301    HG   LEU  63           HG       LEU  63 -19.166   0.630  -4.832
 1302   1HD1  LEU  63          HD11      LEU  63 -20.391   2.569  -4.353
 1303   2HD1  LEU  63          HD12      LEU  63 -21.604   1.378  -4.824
 1304   3HD1  LEU  63          HD13      LEU  63 -21.094   2.619  -5.968
 1305   1HD2  LEU  63          HD21      LEU  63 -21.122  -0.491  -5.978
 1306   2HD2  LEU  63          HD22      LEU  63 -19.537  -0.853  -6.653
 1307   3HD2  LEU  63          HD23      LEU  63 -20.592   0.305  -7.459
 1308    H    ASP  64           HN       ASP  64 -17.847   0.489  -8.861
 1309    HA   ASP  64           HA       ASP  64 -18.167  -2.293  -8.315
 1310   1HB   ASP  64          HB2       ASP  64 -18.231  -0.564 -10.746
 1311   2HB   ASP  64          HB1       ASP  64 -18.060  -2.302 -10.936
 1312    H    VAL  65           HN       VAL  65 -15.543  -0.251  -9.246
 1313    HA   VAL  65           HA       VAL  65 -13.906  -2.274 -10.417
 1314    HB   VAL  65           HB       VAL  65 -13.135   0.412  -9.261
 1315   1HG1  VAL  65          HG11      VAL  65 -11.218  -1.078  -9.394
 1316   2HG1  VAL  65          HG12      VAL  65 -11.103   0.188 -10.617
 1317   3HG1  VAL  65          HG13      VAL  65 -11.597  -1.440 -11.078
 1318   1HG2  VAL  65          HG21      VAL  65 -13.121   1.151 -11.611
 1319   2HG2  VAL  65          HG22      VAL  65 -14.723   0.642 -11.076
 1320   3HG2  VAL  65          HG23      VAL  65 -13.752  -0.424 -12.093
 1321    H    ASN  66           HN       ASN  66 -13.322  -0.399  -7.459
 1322    HA   ASN  66           HA       ASN  66 -11.683  -2.539  -6.391
 1323   1HB   ASN  66          HB2       ASN  66 -12.421  -0.128  -4.790
 1324   2HB   ASN  66          HB1       ASN  66 -10.925  -1.066  -4.803
 1325   1HD2  ASN  66          HD21      ASN  66 -11.203   1.782  -5.004
 1326   2HD2  ASN  66          HD22      ASN  66 -10.512   2.251  -6.517
 1327    H    GLN  67           HN       GLN  67 -14.388  -3.359  -6.626
 1328    HA   GLN  67           HA       GLN  67 -15.892  -2.998  -4.320
 1329   1HB   GLN  67          HB2       GLN  67 -17.132  -4.929  -4.952
 1330   2HB   GLN  67          HB1       GLN  67 -16.683  -4.078  -6.415
 1331   1HG   GLN  67          HG2       GLN  67 -15.326  -6.544  -5.358
 1332   2HG   GLN  67          HG1       GLN  67 -16.534  -6.493  -6.633
 1333   1HE2  GLN  67          HE21      GLN  67 -13.424  -7.041  -6.313
 1334   2HE2  GLN  67          HE22      GLN  67 -12.789  -6.240  -7.710
 1335    H    ASP  68           HN       ASP  68 -13.600  -5.560  -5.076
 1336    HA   ASP  68           HA       ASP  68 -13.677  -6.536  -2.390
 1337   1HB   ASP  68          HB2       ASP  68 -12.250  -7.513  -4.840
 1338   2HB   ASP  68          HB1       ASP  68 -12.125  -8.267  -3.256
 1339    H    SER  69           HN       SER  69 -12.508  -3.841  -3.113
 1340    HA   SER  69           HA       SER  69  -9.818  -3.615  -3.137
 1341   1HB   SER  69          HB2       SER  69 -10.070  -1.613  -1.633
 1342   2HB   SER  69          HB1       SER  69 -11.225  -1.636  -2.968
 1343    HG   SER  69           HG       SER  69 -12.011  -1.176  -0.724
 1344    H    GLU  70           HN       GLU  70 -11.814  -4.705  -0.534
 1345    HA   GLU  70           HA       GLU  70  -9.418  -5.465   0.993
 1346   1HB   GLU  70          HB2       GLU  70 -10.611  -4.385   2.619
 1347   2HB   GLU  70          HB1       GLU  70 -12.119  -4.632   1.777
 1348   1HG   GLU  70          HG2       GLU  70 -12.217  -5.850   3.851
 1349   2HG   GLU  70          HG1       GLU  70 -12.132  -7.002   2.529
 1350    H    LEU  71           HN       LEU  71  -9.346  -7.641   1.699
 1351    HA   LEU  71           HA       LEU  71 -11.398  -9.339   0.594
 1352   1HB   LEU  71          HB2       LEU  71  -9.942  -9.169  -1.115
 1353   2HB   LEU  71          HB1       LEU  71  -8.542  -9.087  -0.088
 1354    HG   LEU  71           HG       LEU  71  -8.726 -11.053  -1.402
 1355   1HD1  LEU  71          HD11      LEU  71  -7.423 -12.001   0.049
 1356   2HD1  LEU  71          HD12      LEU  71  -8.833 -12.519   0.943
 1357   3HD1  LEU  71          HD13      LEU  71  -8.090 -10.972   1.308
 1358   1HD2  LEU  71          HD21      LEU  71 -10.442 -12.703  -0.653
 1359   2HD2  LEU  71          HD22      LEU  71 -10.928 -11.410  -1.688
 1360   3HD2  LEU  71          HD23      LEU  71 -11.241 -11.323   0.012
 1361    H    ARG  72           HN       ARG  72 -11.707 -11.297   1.621
 1362    HA   ARG  72           HA       ARG  72 -10.071 -11.874   3.976
 1363   1HB   ARG  72          HB2       ARG  72 -12.619 -13.321   3.409
 1364   2HB   ARG  72          HB1       ARG  72 -11.920 -12.874   4.955
 1365   1HG   ARG  72          HG2       ARG  72 -13.403 -11.117   3.030
 1366   2HG   ARG  72          HG1       ARG  72 -13.911 -11.618   4.642
 1367   1HD   ARG  72          HD2       ARG  72 -11.793  -9.656   3.849
 1368   2HD   ARG  72          HD1       ARG  72 -13.169  -9.438   4.918
 1369    HE   ARG  72           HE       ARG  72 -11.169 -11.326   5.821
 1370   1HH1  ARG  72          HH11      ARG  72 -12.361  -8.045   5.949
 1371   2HH1  ARG  72          HH12      ARG  72 -11.581  -7.693   7.452
 1372   1HH2  ARG  72          HH21      ARG  72 -10.139 -10.857   7.791
 1373   2HH2  ARG  72          HH22      ARG  72 -10.318  -9.285   8.496
 1374    H    PHE  73           HN       PHE  73 -11.345 -13.074   0.951
 1375    HA   PHE  73           HA       PHE  73  -9.878 -15.550   1.198
 1376   1HB   PHE  73          HB2       PHE  73 -11.226 -16.477  -0.498
 1377   2HB   PHE  73          HB1       PHE  73 -12.266 -15.503   0.497
 1378    HD1  PHE  73           HD1      PHE  73 -12.513 -12.955  -0.518
 1379    HD2  PHE  73           HD2      PHE  73 -11.743 -16.500  -2.708
 1380    HE1  PHE  73           HE1      PHE  73 -13.423 -11.882  -2.471
 1381    HE2  PHE  73           HE2      PHE  73 -12.679 -15.438  -4.718
 1382    HZ   PHE  73           HZ       PHE  73 -13.529 -13.127  -4.612
 1383    H    SER  74           HN       SER  74 -10.137 -13.981  -2.070
 1384    HA   SER  74           HA       SER  74  -7.212 -14.137  -2.078
 1385   1HB   SER  74          HB2       SER  74  -9.038 -15.514  -3.863
 1386   2HB   SER  74          HB1       SER  74  -7.874 -14.516  -4.738
 1387    HG   SER  74           HG       SER  74  -6.318 -15.816  -4.160
 1388    H    GLU  75           HN       GLU  75  -9.921 -12.313  -2.928
 1389    HA   GLU  75           HA       GLU  75  -8.898 -10.598  -4.869
 1390   1HB   GLU  75          HB2       GLU  75 -10.821  -9.910  -2.666
 1391   2HB   GLU  75          HB1       GLU  75 -10.664  -9.082  -4.206
 1392   1HG   GLU  75          HG2       GLU  75 -11.393 -11.967  -4.068
 1393   2HG   GLU  75          HG1       GLU  75 -12.603 -10.707  -3.845
 1394    H    TYR  76           HN       TYR  76  -7.043 -10.924  -2.337
 1395    HA   TYR  76           HA       TYR  76  -7.037  -8.469  -1.065
 1396   1HB   TYR  76          HB2       TYR  76  -5.365 -10.852  -1.045
 1397   2HB   TYR  76          HB1       TYR  76  -4.457  -9.375  -0.745
 1398    HD1  TYR  76           HD1      TYR  76  -4.937 -11.759   1.107
 1399    HD2  TYR  76           HD2      TYR  76  -6.917  -8.020   0.683
 1400    HE1  TYR  76           HE1      TYR  76  -5.724 -11.893   3.427
 1401    HE2  TYR  76           HE2      TYR  76  -7.696  -8.137   2.960
 1402    HH   TYR  76           HH       TYR  76  -6.443 -10.321   5.226
 1403    H    TRP  77           HN       TRP  77  -5.679  -9.617  -3.986
 1404    HA   TRP  77           HA       TRP  77  -3.723  -7.638  -4.489
 1405   1HB   TRP  77          HB2       TRP  77  -4.092  -8.125  -6.861
 1406   2HB   TRP  77          HB1       TRP  77  -4.113  -9.631  -5.948
 1407    HD1  TRP  77           HD1      TRP  77  -6.742  -7.054  -7.163
 1408    HE1  TRP  77           HE1      TRP  77  -8.807  -8.346  -7.937
 1409    HE3  TRP  77           HE3      TRP  77  -5.196 -11.789  -6.084
 1410    HZ2  TRP  77           HZ2      TRP  77  -9.697 -11.033  -8.065
 1411    HZ3  TRP  77           HZ3      TRP  77  -6.710 -13.668  -6.538
 1412    HH2  TRP  77           HH2      TRP  77  -8.913 -13.296  -7.504
 1413    H    ARG  78           HN       ARG  78  -7.166  -7.427  -4.227
 1414    HA   ARG  78           HA       ARG  78  -7.502  -5.130  -5.772
 1415   1HB   ARG  78          HB2       ARG  78  -9.141  -6.262  -3.520
 1416   2HB   ARG  78          HB1       ARG  78  -9.669  -4.918  -4.532
 1417   1HG   ARG  78          HG2       ARG  78  -8.838  -7.511  -5.755
 1418   2HG   ARG  78          HG1       ARG  78 -10.450  -7.299  -5.089
 1419   1HD   ARG  78          HD2       ARG  78 -10.756  -5.322  -6.539
 1420   2HD   ARG  78          HD1       ARG  78  -9.167  -5.629  -7.241
 1421    HE   ARG  78           HE       ARG  78 -10.982  -7.859  -7.406
 1422   1HH1  ARG  78          HH11      ARG  78  -9.864  -4.935  -8.934
 1423   2HH1  ARG  78          HH12      ARG  78 -10.370  -5.416 -10.519
 1424   1HH2  ARG  78          HH21      ARG  78 -11.650  -8.503  -9.487
 1425   2HH2  ARG  78          HH22      ARG  78 -11.386  -7.447 -10.834
 1426    H    LEU  79           HN       LEU  79  -6.296  -5.685  -2.563
 1427    HA   LEU  79           HA       LEU  79  -6.605  -2.983  -1.639
 1428   1HB   LEU  79          HB2       LEU  79  -4.371  -4.551  -0.547
 1429   2HB   LEU  79          HB1       LEU  79  -5.588  -3.633   0.298
 1430    HG   LEU  79           HG       LEU  79  -6.618  -6.151  -0.827
 1431   1HD1  LEU  79          HD11      LEU  79  -4.995  -7.524  -0.172
 1432   2HD1  LEU  79          HD12      LEU  79  -5.183  -6.940   1.477
 1433   3HD1  LEU  79          HD13      LEU  79  -4.031  -6.170   0.397
 1434   1HD2  LEU  79          HD21      LEU  79  -6.477  -5.250   2.039
 1435   2HD2  LEU  79          HD22      LEU  79  -7.683  -6.278   1.264
 1436   3HD2  LEU  79          HD23      LEU  79  -7.636  -4.552   0.912
 1437    H    ILE  80           HN       ILE  80  -4.430  -4.721  -3.628
 1438    HA   ILE  80           HA       ILE  80  -2.030  -3.557  -3.401
 1439    HB   ILE  80           HB       ILE  80  -2.976  -5.311  -5.115
 1440   1HG1  ILE  80          HG12      ILE  80  -0.756  -3.370  -5.846
 1441   2HG1  ILE  80          HG11      ILE  80  -0.601  -4.768  -4.786
 1442   1HG2  ILE  80          HG21      ILE  80  -4.430  -3.747  -6.331
 1443   2HG2  ILE  80          HG22      ILE  80  -3.211  -4.454  -7.386
 1444   3HG2  ILE  80          HG23      ILE  80  -3.025  -2.799  -6.808
 1445   1HD1  ILE  80          HD11      ILE  80  -1.316  -4.864  -7.705
 1446   2HD1  ILE  80          HD12      ILE  80  -1.092  -6.251  -6.638
 1447   3HD1  ILE  80          HD13      ILE  80   0.274  -5.201  -7.020
 1448    H    GLY  81           HN       GLY  81  -4.689  -2.141  -5.347
 1449   1HA   GLY  81          HA2       GLY  81  -3.178   0.299  -5.729
 1450   2HA   GLY  81          HA1       GLY  81  -4.798  -0.030  -6.322
 1451    H    GLU  82           HN       GLU  82  -5.047  -0.885  -3.205
 1452    HA   GLU  82           HA       GLU  82  -6.379   1.546  -2.480
 1453   1HB   GLU  82          HB2       GLU  82  -5.887  -0.938  -0.924
 1454   2HB   GLU  82          HB1       GLU  82  -7.030   0.322  -0.493
 1455   1HG   GLU  82          HG2       GLU  82  -7.168  -1.374  -2.963
 1456   2HG   GLU  82          HG1       GLU  82  -8.131  -1.616  -1.508
 1457    H    LEU  83           HN       LEU  83  -3.910  -0.425  -0.889
 1458    HA   LEU  83           HA       LEU  83  -3.201   1.382   1.097
 1459   1HB   LEU  83          HB2       LEU  83  -1.598  -0.735  -0.343
 1460   2HB   LEU  83          HB1       LEU  83  -0.935   0.205   0.983
 1461    HG   LEU  83           HG       LEU  83  -2.786  -0.673   2.434
 1462   1HD1  LEU  83          HD11      LEU  83  -4.407  -1.286   0.786
 1463   2HD1  LEU  83          HD12      LEU  83  -3.898  -2.748   1.631
 1464   3HD1  LEU  83          HD13      LEU  83  -3.278  -2.401   0.017
 1465   1HD2  LEU  83          HD21      LEU  83  -0.811  -2.558   1.167
 1466   2HD2  LEU  83          HD22      LEU  83  -1.784  -2.984   2.574
 1467   3HD2  LEU  83          HD23      LEU  83  -0.638  -1.647   2.667
 1468    H    ALA  84           HN       ALA  84  -2.580   1.385  -2.283
 1469    HA   ALA  84           HA       ALA  84  -0.379   3.179  -2.162
 1470   1HB   ALA  84          HB1       ALA  84  -0.875   3.488  -4.606
 1471   2HB   ALA  84          HB2       ALA  84  -2.212   2.361  -4.388
 1472   3HB   ALA  84          HB3       ALA  84  -0.555   1.832  -4.091
 1473    H    LYS  85           HN       LYS  85  -3.876   3.577  -2.340
 1474    HA   LYS  85           HA       LYS  85  -4.238   6.101  -3.234
 1475   1HB   LYS  85          HB2       LYS  85  -5.574   4.536  -1.157
 1476   2HB   LYS  85          HB1       LYS  85  -5.841   6.270  -1.090
 1477   1HG   LYS  85          HG2       LYS  85  -7.487   5.912  -2.534
 1478   2HG   LYS  85          HG1       LYS  85  -6.220   5.702  -3.744
 1479   1HD   LYS  85          HD2       LYS  85  -7.696   3.822  -3.874
 1480   2HD   LYS  85          HD1       LYS  85  -6.169   3.287  -3.176
 1481   1HE   LYS  85          HE2       LYS  85  -8.208   2.390  -2.035
 1482   2HE   LYS  85          HE1       LYS  85  -7.096   3.257  -0.978
 1483   1HZ   LYS  85          HZ1       LYS  85  -9.548   4.429  -2.174
 1484   2HZ   LYS  85          HZ2       LYS  85  -8.516   5.177  -1.062
 1485   3HZ   LYS  85          HZ3       LYS  85  -9.435   3.837  -0.594
 1486    H    GLU  86           HN       GLU  86  -3.848   5.488   0.072
 1487    HA   GLU  86           HA       GLU  86  -3.428   7.972   1.045
 1488   1HB   GLU  86          HB2       GLU  86  -1.842   6.718   2.719
 1489   2HB   GLU  86          HB1       GLU  86  -3.562   6.356   2.691
 1490   1HG   GLU  86          HG2       GLU  86  -3.221   4.259   2.111
 1491   2HG   GLU  86          HG1       GLU  86  -2.098   4.712   0.832
 1492    H    VAL  87           HN       VAL  87  -1.043   5.861  -0.467
 1493    HA   VAL  87           HA       VAL  87   1.109   7.713  -0.050
 1494    HB   VAL  87           HB       VAL  87   0.952   5.135  -1.600
 1495   1HG1  VAL  87          HG11      VAL  87   2.523   6.538  -2.758
 1496   2HG1  VAL  87          HG12      VAL  87   3.397   5.309  -1.852
 1497   3HG1  VAL  87          HG13      VAL  87   3.313   6.960  -1.243
 1498   1HG2  VAL  87          HG21      VAL  87   2.229   5.940   1.000
 1499   2HG2  VAL  87          HG22      VAL  87   2.571   4.420   0.175
 1500   3HG2  VAL  87          HG23      VAL  87   0.939   4.765   0.745
 1501    H    ARG  88           HN       ARG  88  -1.352   7.414  -2.361
 1502    HA   ARG  88           HA       ARG  88   0.061   8.327  -4.640
 1503   1HB   ARG  88          HB2       ARG  88  -2.153   7.124  -4.602
 1504   2HB   ARG  88          HB1       ARG  88  -2.885   8.647  -4.105
 1505   1HG   ARG  88          HG2       ARG  88  -2.096   9.704  -6.167
 1506   2HG   ARG  88          HG1       ARG  88  -1.381   8.170  -6.670
 1507   1HD   ARG  88          HD2       ARG  88  -3.600   7.133  -6.638
 1508   2HD   ARG  88          HD1       ARG  88  -4.310   8.670  -6.146
 1509    HE   ARG  88           HE       ARG  88  -2.806   8.850  -8.579
 1510   1HH1  ARG  88          HH11      ARG  88  -5.894   8.036  -7.196
 1511   2HH1  ARG  88          HH12      ARG  88  -6.776   8.341  -8.655
 1512   1HH2  ARG  88          HH21      ARG  88  -3.954   9.256 -10.508
 1513   2HH2  ARG  88          HH22      ARG  88  -5.672   9.035 -10.540
 1514    H    LYS  89           HN       LYS  89  -2.427  10.149  -2.856
 1515    HA   LYS  89           HA       LYS  89  -1.621  12.637  -3.931
 1516   1HB   LYS  89          HB2       LYS  89  -3.218  13.647  -2.534
 1517   2HB   LYS  89          HB1       LYS  89  -3.886  12.073  -2.916
 1518   1HG   LYS  89          HG2       LYS  89  -2.351  11.885  -0.477
 1519   2HG   LYS  89          HG1       LYS  89  -3.504  13.226  -0.386
 1520   1HD   LYS  89          HD2       LYS  89  -4.625  11.334   0.405
 1521   2HD   LYS  89          HD1       LYS  89  -5.245  11.602  -1.218
 1522   1HE   LYS  89          HE2       LYS  89  -2.916   9.854  -1.077
 1523   2HE   LYS  89          HE1       LYS  89  -4.344   9.230  -0.273
 1524   1HZ   LYS  89          HZ1       LYS  89  -5.604   9.424  -2.265
 1525   2HZ   LYS  89          HZ2       LYS  89  -4.177   8.609  -2.653
 1526   3HZ   LYS  89          HZ3       LYS  89  -4.354  10.235  -3.061
 1527    H    GLU  90           HN       GLU  90  -0.714  10.870  -1.092
 1528    HA   GLU  90           HA       GLU  90   0.532  12.991   0.289
 1529   1HB   GLU  90          HB2       GLU  90   0.721  10.005   0.438
 1530   2HB   GLU  90          HB1       GLU  90   1.680  11.041   1.490
 1531   1HG   GLU  90          HG2       GLU  90  -0.425  12.071   2.293
 1532   2HG   GLU  90          HG1       GLU  90  -1.329  10.915   1.307
 1533    H    LYS  91           HN       LYS  91   1.402  11.428  -2.565
 1534    HA   LYS  91           HA       LYS  91   4.182  11.301  -2.317
 1535   1HB   LYS  91          HB2       LYS  91   4.264  11.046  -4.646
 1536   2HB   LYS  91          HB1       LYS  91   2.758  10.294  -4.149
 1537   1HG   LYS  91          HG2       LYS  91   1.583  12.403  -4.798
 1538   2HG   LYS  91          HG1       LYS  91   3.112  12.983  -5.455
 1539   1HD   LYS  91          HD2       LYS  91   3.186  11.131  -7.012
 1540   2HD   LYS  91          HD1       LYS  91   1.719  10.448  -6.309
 1541   1HE   LYS  91          HE2       LYS  91   1.240  11.632  -8.393
 1542   2HE   LYS  91          HE1       LYS  91   0.455  12.408  -7.018
 1543   1HZ   LYS  91          HZ1       LYS  91   1.473  14.028  -8.491
 1544   2HZ   LYS  91          HZ2       LYS  91   2.987  13.302  -8.287
 1545   3HZ   LYS  91          HZ3       LYS  91   2.224  14.050  -6.975
 1546    H    ALA  92           HN       ALA  92   2.074  13.832  -3.587
 1547    HA   ALA  92           HA       ALA  92   4.278  15.669  -3.928
 1548   1HB   ALA  92          HB1       ALA  92   2.552  17.261  -4.652
 1549   2HB   ALA  92          HB2       ALA  92   1.305  16.095  -4.203
 1550   3HB   ALA  92          HB3       ALA  92   2.436  15.720  -5.503
 1551    H    LEU  93           HN       LEU  93   2.000  14.946  -1.424
 1552    HA   LEU  93           HA       LEU  93   2.375  17.482  -0.096
 1553   1HB   LEU  93          HB2       LEU  93   0.274  16.098   0.061
 1554   2HB   LEU  93          HB1       LEU  93   1.181  14.977   1.067
 1555    HG   LEU  93           HG       LEU  93   1.343  17.769   1.949
 1556   1HD1  LEU  93          HD11      LEU  93  -0.904  17.834   2.893
 1557   2HD1  LEU  93          HD12      LEU  93  -1.299  16.315   2.087
 1558   3HD1  LEU  93          HD13      LEU  93  -0.963  17.760   1.132
 1559   1HD2  LEU  93          HD21      LEU  93   0.933  16.724   4.124
 1560   2HD2  LEU  93          HD22      LEU  93   2.227  15.908   3.246
 1561   3HD2  LEU  93          HD23      LEU  93   0.621  15.183   3.325
 1562    H    GLY  94           HN       GLY  94   3.717  14.272   0.029
 1563   1HA   GLY  94          HA2       GLY  94   4.903  14.007   2.436
 1564   2HA   GLY  94          HA1       GLY  94   5.717  13.565   0.938
 1565    H    ILE  95           HN       ILE  95   6.013  16.168  -0.108
 1566    HA   ILE  95           HA       ILE  95   8.449  16.891   1.076
 1567    HB   ILE  95           HB       ILE  95   8.299  18.912  -0.410
 1568   1HG1  ILE  95          HG12      ILE  95   5.841  17.559  -1.473
 1569   2HG1  ILE  95          HG11      ILE  95   5.767  18.932  -0.377
 1570   1HG2  ILE  95          HG21      ILE  95   7.889  16.225  -1.626
 1571   2HG2  ILE  95          HG22      ILE  95   9.418  16.924  -1.102
 1572   3HG2  ILE  95          HG23      ILE  95   8.545  17.628  -2.463
 1573   1HD1  ILE  95          HD11      ILE  95   5.472  19.627  -2.684
 1574   2HD1  ILE  95          HD12      ILE  95   7.026  18.910  -3.111
 1575   3HD1  ILE  95          HD13      ILE  95   6.963  20.292  -2.018
 1576    H    ARG  96           HN       ARG  96   7.259  17.047   3.319
 1577    HA   ARG  96           HA       ARG  96   5.845  19.383   3.951
 1578   1HB   ARG  96          HB2       ARG  96   6.365  18.952   6.251
 1579   2HB   ARG  96          HB1       ARG  96   6.104  17.401   5.467
 1580   1HG   ARG  96          HG2       ARG  96   7.972  16.893   6.626
 1581   2HG   ARG  96          HG1       ARG  96   8.735  17.553   5.181
 1582   1HD   ARG  96          HD2       ARG  96   9.795  18.517   7.102
 1583   2HD   ARG  96          HD1       ARG  96   8.830  19.760   6.309
 1584    HE   ARG  96           HE       ARG  96   7.276  18.548   8.300
 1585   1HH1  ARG  96          HH11      ARG  96  10.056  20.618   7.965
 1586   2HH1  ARG  96          HH12      ARG  96   9.800  21.424   9.475
 1587   1HH2  ARG  96          HH21      ARG  96   6.927  19.605  10.289
 1588   2HH2  ARG  96          HH22      ARG  96   8.021  20.847  10.799
 1589    H    LYS  97           HN       LYS  97   9.172  18.790   3.252
 1590    HA   LYS  97           HA       LYS  97   9.962  21.435   4.157
 1591   1HB   LYS  97          HB2       LYS  97  12.219  20.553   3.029
 1592   2HB   LYS  97          HB1       LYS  97  11.772  20.152   4.679
 1593   1HG   LYS  97          HG2       LYS  97  10.889  18.337   2.494
 1594   2HG   LYS  97          HG1       LYS  97  12.585  18.311   2.989
 1595   1HD   LYS  97          HD2       LYS  97  12.116  17.471   5.049
 1596   2HD   LYS  97          HD1       LYS  97  10.535  18.248   5.129
 1597   1HE   LYS  97          HE2       LYS  97   9.560  16.609   3.730
 1598   2HE   LYS  97          HE1       LYS  97  11.128  15.956   3.271
 1599   1HZ   LYS  97          HZ1       LYS  97   9.916  15.828   5.983
 1600   2HZ   LYS  97          HZ2       LYS  97  11.435  15.213   5.562
 1601   3HZ   LYS  97          HZ3       LYS  97  10.035  14.542   4.889
 1602    H    LYS  98           HN       LYS  98   8.697  22.626   2.708
 1603    HA   LYS  98           HA       LYS  98   9.390  22.406  -0.127
 1604   1HB   LYS  98          HB2       LYS  98   7.234  24.039   1.222
 1605   2HB   LYS  98          HB1       LYS  98   7.468  23.884  -0.513
 1606   1HG   LYS  98          HG2       LYS  98   7.094  21.402  -0.218
 1607   2HG   LYS  98          HG1       LYS  98   6.582  21.773   1.430
 1608   1HD   LYS  98          HD2       LYS  98   4.804  23.182   0.611
 1609   2HD   LYS  98          HD1       LYS  98   5.366  22.982  -1.050
 1610   1HE   LYS  98          HE2       LYS  98   3.457  21.552  -0.653
 1611   2HE   LYS  98          HE1       LYS  98   4.903  20.572  -0.892
 1612   1HZ   LYS  98          HZ1       LYS  98   5.074  20.290   1.494
 1613   2HZ   LYS  98          HZ2       LYS  98   3.561  19.764   0.951
 1614   3HZ   LYS  98          HZ3       LYS  98   3.705  21.253   1.738
  Start of MODEL   10
    1   1H    MET   1          HT1       MET   1 -19.494   4.584  -2.437
    2   2H    MET   1          HT2       MET   1 -18.135   3.642  -2.086
    3   3H    MET   1          HT3       MET   1 -18.573   3.930  -3.694
    4    HA   MET   1           HA       MET   1 -18.194   6.320  -3.323
    5   1HB   MET   1          HB2       MET   1 -17.600   5.296  -0.635
    6   2HB   MET   1          HB1       MET   1 -16.418   6.392  -1.268
    7   1HG   MET   1          HG2       MET   1 -18.263   7.444   0.097
    8   2HG   MET   1          HG1       MET   1 -17.946   8.156  -1.474
    9   1HE   MET   1          HE1       MET   1 -21.398   8.661  -2.566
   10   2HE   MET   1          HE2       MET   1 -19.717   8.727  -3.093
   11   3HE   MET   1          HE3       MET   1 -20.184   9.436  -1.548
   12    H    ALA   2           HN       ALA   2 -16.041   7.261  -3.626
   13    HA   ALA   2           HA       ALA   2 -14.135   5.216  -4.508
   14   1HB   ALA   2          HB1       ALA   2 -14.799   6.421  -6.421
   15   2HB   ALA   2          HB2       ALA   2 -13.216   7.063  -5.985
   16   3HB   ALA   2          HB3       ALA   2 -14.675   7.967  -5.584
   17    H    ALA   3           HN       ALA   3 -12.298   5.059  -3.447
   18    HA   ALA   3           HA       ALA   3 -11.654   6.854  -1.348
   19   1HB   ALA   3          HB1       ALA   3  -9.411   5.508  -1.495
   20   2HB   ALA   3          HB2       ALA   3 -10.345   4.485  -2.591
   21   3HB   ALA   3          HB3       ALA   3 -10.888   4.723  -0.934
   22    H    GLU   4           HN       GLU   4 -11.612   8.848  -2.359
   23    HA   GLU   4           HA       GLU   4 -10.003   9.498  -4.588
   24   1HB   GLU   4          HB2       GLU   4 -11.249  11.246  -2.485
   25   2HB   GLU   4          HB1       GLU   4 -10.529  11.812  -3.987
   26   1HG   GLU   4          HG2       GLU   4 -12.828   9.893  -3.821
   27   2HG   GLU   4          HG1       GLU   4 -12.984  11.631  -4.043
   28    H    THR   5           HN       THR   5  -9.666  11.124  -1.484
   29    HA   THR   5           HA       THR   5  -6.857  11.498  -1.922
   30    HB   THR   5           HB       THR   5  -8.054  12.228   0.688
   31    HG1  THR   5           HG1      THR   5  -9.763  13.057  -0.276
   32   1HG2  THR   5          HG21      THR   5  -6.944  14.421  -0.047
   33   2HG2  THR   5          HG22      THR   5  -6.282  13.482  -1.381
   34   3HG2  THR   5          HG23      THR   5  -5.892  13.049   0.278
   35    H    LEU   6           HN       LEU   6  -6.313  11.441   1.047
   36    HA   LEU   6           HA       LEU   6  -5.204   8.855   1.182
   37   1HB   LEU   6          HB2       LEU   6  -5.558  11.072   3.186
   38   2HB   LEU   6          HB1       LEU   6  -4.761   9.573   3.583
   39    HG   LEU   6           HG       LEU   6  -3.490  10.508   1.262
   40   1HD1  LEU   6          HD11      LEU   6  -2.816  12.740   1.794
   41   2HD1  LEU   6          HD12      LEU   6  -3.697  12.698   3.321
   42   3HD1  LEU   6          HD13      LEU   6  -4.580  12.696   1.795
   43   1HD2  LEU   6          HD21      LEU   6  -2.889   9.903   4.046
   44   2HD2  LEU   6          HD22      LEU   6  -1.834  11.130   3.358
   45   3HD2  LEU   6          HD23      LEU   6  -1.966   9.550   2.586
   46    H    THR   7           HN       THR   7  -6.898   7.323   1.046
   47    HA   THR   7           HA       THR   7  -9.225   7.409   2.609
   48    HB   THR   7           HB       THR   7  -8.187   4.702   2.143
   49    HG1  THR   7           HG1      THR   7  -7.288   5.513   0.296
   50   1HG2  THR   7          HG21      THR   7 -10.612   5.588   0.761
   51   2HG2  THR   7          HG22      THR   7 -10.646   5.798   2.510
   52   3HG2  THR   7          HG23      THR   7 -10.347   4.204   1.818
   53    H    GLU   8           HN       GLU   8  -9.661   5.547   4.224
   54    HA   GLU   8           HA       GLU   8  -8.408   6.093   6.603
   55   1HB   GLU   8          HB2       GLU   8  -9.348   3.301   6.062
   56   2HB   GLU   8          HB1       GLU   8  -9.438   4.234   7.548
   57   1HG   GLU   8          HG2       GLU   8 -11.086   4.614   5.063
   58   2HG   GLU   8          HG1       GLU   8 -11.632   4.012   6.625
   59    H    LEU   9           HN       LEU   9  -7.315   4.034   4.061
   60    HA   LEU   9           HA       LEU   9  -5.491   2.429   5.405
   61   1HB   LEU   9          HB2       LEU   9  -5.231   3.523   2.623
   62   2HB   LEU   9          HB1       LEU   9  -4.544   2.036   3.229
   63    HG   LEU   9           HG       LEU   9  -7.422   2.668   2.633
   64   1HD1  LEU   9          HD11      LEU   9  -5.496   0.591   1.619
   65   2HD1  LEU   9          HD12      LEU   9  -6.234   1.913   0.722
   66   3HD1  LEU   9          HD13      LEU   9  -7.227   0.574   1.292
   67   1HD2  LEU   9          HD21      LEU   9  -6.354   0.870   4.648
   68   2HD2  LEU   9          HD22      LEU   9  -7.386   0.057   3.482
   69   3HD2  LEU   9          HD23      LEU   9  -7.999   1.434   4.385
   70    H    GLU  10           HN       GLU  10  -5.252   5.815   4.525
   71    HA   GLU  10           HA       GLU  10  -2.506   6.149   4.346
   72   1HB   GLU  10          HB2       GLU  10  -2.993   8.415   5.551
   73   2HB   GLU  10          HB1       GLU  10  -3.641   8.108   3.947
   74   1HG   GLU  10          HG2       GLU  10  -5.706   8.345   4.649
   75   2HG   GLU  10          HG1       GLU  10  -5.459   7.194   5.958
   76    H    ALA  11           HN       ALA  11  -4.547   5.785   7.216
   77    HA   ALA  11           HA       ALA  11  -2.663   6.312   9.204
   78   1HB   ALA  11          HB1       ALA  11  -4.138   5.355  10.685
   79   2HB   ALA  11          HB2       ALA  11  -4.549   4.038   9.590
   80   3HB   ALA  11          HB3       ALA  11  -5.220   5.643   9.324
   81    H    ALA  12           HN       ALA  12  -3.211   3.526   7.192
   82    HA   ALA  12           HA       ALA  12  -1.399   1.785   8.523
   83   1HB   ALA  12          HB1       ALA  12  -3.227   1.039   6.998
   84   2HB   ALA  12          HB2       ALA  12  -1.654   0.337   6.627
   85   3HB   ALA  12          HB3       ALA  12  -2.284   1.658   5.644
   86    H    ILE  13           HN       ILE  13  -1.099   4.293   6.141
   87    HA   ILE  13           HA       ILE  13   1.321   3.657   4.982
   88    HB   ILE  13           HB       ILE  13  -0.339   5.696   4.627
   89   1HG1  ILE  13          HG12      ILE  13   1.395   4.948   3.072
   90   2HG1  ILE  13          HG11      ILE  13   1.329   6.707   3.157
   91   1HG2  ILE  13          HG21      ILE  13   0.280   7.757   5.452
   92   2HG2  ILE  13          HG22      ILE  13   1.923   7.233   5.818
   93   3HG2  ILE  13          HG23      ILE  13   0.586   6.714   6.842
   94   1HD1  ILE  13          HD11      ILE  13   3.369   4.887   4.402
   95   2HD1  ILE  13          HD12      ILE  13   3.250   6.611   4.752
   96   3HD1  ILE  13          HD13      ILE  13   3.611   6.065   3.114
   97    H    GLU  14           HN       GLU  14   0.573   4.861   8.140
   98    HA   GLU  14           HA       GLU  14   3.074   5.848   8.927
   99   1HB   GLU  14          HB2       GLU  14   0.845   4.632  10.561
  100   2HB   GLU  14          HB1       GLU  14   2.234   5.462  11.249
  101   1HG   GLU  14          HG2       GLU  14   1.585   7.512  10.099
  102   2HG   GLU  14          HG1       GLU  14   0.202   6.680   9.389
  103    H    THR  15           HN       THR  15   1.698   2.568   9.116
  104    HA   THR  15           HA       THR  15   3.872   1.472  10.599
  105    HB   THR  15           HB       THR  15   2.032   0.027   8.681
  106    HG1  THR  15           HG1      THR  15   0.869  -0.459  10.649
  107   1HG2  THR  15          HG21      THR  15   3.765  -0.965  10.943
  108   2HG2  THR  15          HG22      THR  15   3.973  -1.303   9.224
  109   3HG2  THR  15          HG23      THR  15   2.574  -1.944  10.086
  110    H    VAL  16           HN       VAL  16   3.007   1.137   7.191
  111    HA   VAL  16           HA       VAL  16   5.269  -0.098   6.223
  112    HB   VAL  16           HB       VAL  16   3.256   0.200   4.903
  113   1HG1  VAL  16          HG11      VAL  16   2.636   2.403   5.707
  114   2HG1  VAL  16          HG12      VAL  16   2.702   2.387   3.945
  115   3HG1  VAL  16          HG13      VAL  16   4.013   3.117   4.870
  116   1HG2  VAL  16          HG21      VAL  16   5.857   1.190   3.845
  117   2HG2  VAL  16          HG22      VAL  16   4.428   1.386   2.836
  118   3HG2  VAL  16          HG23      VAL  16   4.903  -0.211   3.385
  119    H    VAL  17           HN       VAL  17   4.700   3.350   6.776
  120    HA   VAL  17           HA       VAL  17   7.214   4.086   5.606
  121    HB   VAL  17           HB       VAL  17   5.204   5.576   5.575
  122   1HG1  VAL  17          HG11      VAL  17   5.948   6.273   8.405
  123   2HG1  VAL  17          HG12      VAL  17   4.650   5.151   8.009
  124   3HG1  VAL  17          HG13      VAL  17   4.556   6.827   7.474
  125   1HG2  VAL  17          HG21      VAL  17   7.392   6.443   5.034
  126   2HG2  VAL  17          HG22      VAL  17   7.752   6.686   6.743
  127   3HG2  VAL  17          HG23      VAL  17   6.494   7.644   5.961
  128    H    SER  18           HN       SER  18   5.927   3.736   8.872
  129    HA   SER  18           HA       SER  18   8.357   4.656  10.101
  130   1HB   SER  18          HB2       SER  18   5.915   3.319  11.287
  131   2HB   SER  18          HB1       SER  18   7.244   3.998  12.225
  132    HG   SER  18           HG       SER  18   5.672   5.471  10.379
  133    H    THR  19           HN       THR  19   7.428   1.739   8.719
  134    HA   THR  19           HA       THR  19   9.007   0.099  10.496
  135    HB   THR  19           HB       THR  19   8.449  -1.768   8.908
  136    HG1  THR  19           HG1      THR  19   7.381   0.359   7.481
  137   1HG2  THR  19          HG21      THR  19   5.891  -1.561   9.468
  138   2HG2  THR  19          HG22      THR  19   6.430  -0.173  10.417
  139   3HG2  THR  19          HG23      THR  19   7.081  -1.777  10.751
  140    H    PHE  20           HN       PHE  20   9.133  -0.240   7.034
  141    HA   PHE  20           HA       PHE  20  11.976  -0.696   7.072
  142   1HB   PHE  20          HB2       PHE  20  11.015  -2.285   5.749
  143   2HB   PHE  20          HB1       PHE  20   9.666  -1.252   5.323
  144    HD1  PHE  20           HD1      PHE  20  13.360  -1.302   4.688
  145    HD2  PHE  20           HD2      PHE  20   9.436  -0.863   3.101
  146    HE1  PHE  20           HE1      PHE  20  14.300  -1.012   2.442
  147    HE2  PHE  20           HE2      PHE  20  10.380  -0.568   0.852
  148    HZ   PHE  20           HZ       PHE  20  12.807  -0.636   0.527
  149    H    PHE  21           HN       PHE  21   9.708   1.588   5.734
  150    HA   PHE  21           HA       PHE  21  11.490   2.955   4.090
  151   1HB   PHE  21          HB2       PHE  21   9.023   3.892   5.549
  152   2HB   PHE  21          HB1       PHE  21   9.836   4.826   4.305
  153    HD1  PHE  21           HD1      PHE  21  10.280   1.649   3.177
  154    HD2  PHE  21           HD2      PHE  21   7.123   4.464   3.720
  155    HE1  PHE  21           HE1      PHE  21   8.930   0.493   1.472
  156    HE2  PHE  21           HE2      PHE  21   5.774   3.286   2.046
  157    HZ   PHE  21           HZ       PHE  21   6.687   1.310   0.904
  158    H    THR  22           HN       THR  22  11.263   2.769   7.497
  159    HA   THR  22           HA       THR  22  12.309   5.273   8.209
  160    HB   THR  22           HB       THR  22  13.118   4.222  10.234
  161    HG1  THR  22           HG1      THR  22  13.892   2.331   9.118
  162   1HG2  THR  22          HG21      THR  22  10.515   3.009   9.365
  163   2HG2  THR  22          HG22      THR  22  10.705   4.657   9.967
  164   3HG2  THR  22          HG23      THR  22  11.041   3.287  11.026
  165    H    PHE  23           HN       PHE  23  13.748   2.634   6.529
  166    HA   PHE  23           HA       PHE  23  16.425   3.097   7.304
  167   1HB   PHE  23          HB2       PHE  23  16.884   1.290   6.056
  168   2HB   PHE  23          HB1       PHE  23  15.150   1.151   5.893
  169    HD1  PHE  23           HD1      PHE  23  17.977   2.938   4.156
  170    HD2  PHE  23           HD2      PHE  23  14.392   0.678   3.865
  171    HE1  PHE  23           HE1      PHE  23  18.226   2.873   1.732
  172    HE2  PHE  23           HE2      PHE  23  14.626   0.623   1.431
  173    HZ   PHE  23           HZ       PHE  23  16.569   1.690   0.376
  174    H    ALA  24           HN       ALA  24  14.318   4.978   5.475
  175    HA   ALA  24           HA       ALA  24  15.763   6.246   3.539
  176   1HB   ALA  24          HB1       ALA  24  13.451   6.815   4.947
  177   2HB   ALA  24          HB2       ALA  24  14.131   7.799   3.652
  178   3HB   ALA  24          HB3       ALA  24  14.500   8.178   5.333
  179    H    GLY  25           HN       GLY  25  15.857   6.737   6.984
  180   1HA   GLY  25          HA2       GLY  25  17.521   8.800   7.433
  181   2HA   GLY  25          HA1       GLY  25  17.603   7.304   8.370
  182    H    ARG  26           HN       ARG  26  18.478   5.735   6.031
  183    HA   ARG  26           HA       ARG  26  21.178   5.657   6.351
  184   1HB   ARG  26          HB2       ARG  26  19.923   3.977   5.090
  185   2HB   ARG  26          HB1       ARG  26  19.669   5.129   3.786
  186   1HG   ARG  26          HG2       ARG  26  21.539   4.410   2.850
  187   2HG   ARG  26          HG1       ARG  26  22.436   5.055   4.226
  188   1HD   ARG  26          HD2       ARG  26  21.350   2.280   3.852
  189   2HD   ARG  26          HD1       ARG  26  23.035   2.774   4.025
  190    HE   ARG  26           HE       ARG  26  21.361   3.400   6.288
  191   1HH1  ARG  26          HH11      ARG  26  23.454   1.043   4.802
  192   2HH1  ARG  26          HH12      ARG  26  23.837   0.253   6.294
  193   1HH2  ARG  26          HH21      ARG  26  21.862   2.367   8.257
  194   2HH2  ARG  26          HH22      ARG  26  22.933   1.006   8.259
  195    H    GLU  27           HN       GLU  27  19.403   7.636   3.997
  196    HA   GLU  27           HA       GLU  27  21.865   8.887   3.098
  197   1HB   GLU  27          HB2       GLU  27  18.971   9.166   2.314
  198   2HB   GLU  27          HB1       GLU  27  20.191  10.290   1.732
  199   1HG   GLU  27          HG2       GLU  27  20.307   7.311   1.341
  200   2HG   GLU  27          HG1       GLU  27  19.664   8.449   0.158
  201    H    GLY  28           HN       GLY  28  22.720  10.585   4.055
  202   1HA   GLY  28          HA2       GLY  28  22.020  11.763   6.365
  203   2HA   GLY  28          HA1       GLY  28  22.879  12.636   5.110
  204    H    ARG  29           HN       ARG  29  21.461  13.652   3.415
  205    HA   ARG  29           HA       ARG  29  19.865  15.569   4.478
  206   1HB   ARG  29          HB2       ARG  29  20.635  15.675   2.183
  207   2HB   ARG  29          HB1       ARG  29  19.610  14.314   1.743
  208   1HG   ARG  29          HG2       ARG  29  17.623  15.638   2.204
  209   2HG   ARG  29          HG1       ARG  29  18.633  17.000   2.693
  210   1HD   ARG  29          HD2       ARG  29  18.535  15.740  -0.044
  211   2HD   ARG  29          HD1       ARG  29  17.821  17.285   0.416
  212    HE   ARG  29           HE       ARG  29  20.556  17.343   1.023
  213   1HH1  ARG  29          HH11      ARG  29  18.437  17.259  -1.738
  214   2HH1  ARG  29          HH12      ARG  29  19.547  18.085  -2.780
  215   1HH2  ARG  29          HH21      ARG  29  22.027  18.433  -0.339
  216   2HH2  ARG  29          HH22      ARG  29  21.587  18.753  -1.983
  217    H    LYS  30           HN       LYS  30  17.535  15.971   4.296
  218    HA   LYS  30           HA       LYS  30  16.031  13.583   5.092
  219   1HB   LYS  30          HB2       LYS  30  15.294  16.510   5.371
  220   2HB   LYS  30          HB1       LYS  30  14.387  15.149   6.016
  221   1HG   LYS  30          HG2       LYS  30  15.576  16.036   7.832
  222   2HG   LYS  30          HG1       LYS  30  16.444  14.573   7.365
  223   1HD   LYS  30          HD2       LYS  30  18.168  15.815   6.325
  224   2HD   LYS  30          HD1       LYS  30  17.224  17.305   6.370
  225   1HE   LYS  30          HE2       LYS  30  18.976  17.312   8.069
  226   2HE   LYS  30          HE1       LYS  30  17.374  17.329   8.805
  227   1HZ   LYS  30          HZ1       LYS  30  19.108  14.937   8.492
  228   2HZ   LYS  30          HZ2       LYS  30  17.572  14.952   9.199
  229   3HZ   LYS  30          HZ3       LYS  30  18.848  15.786   9.932
  230    H    GLY  31           HN       GLY  31  16.513  13.630   2.440
  231   1HA   GLY  31          HA2       GLY  31  14.109  14.734   1.123
  232   2HA   GLY  31          HA1       GLY  31  15.534  14.085   0.311
  233    H    SER  32           HN       SER  32  15.860  11.735   0.438
  234    HA   SER  32           HA       SER  32  13.420  10.340   1.158
  235   1HB   SER  32          HB2       SER  32  13.328   9.172  -1.018
  236   2HB   SER  32          HB1       SER  32  13.010  10.908  -1.113
  237    HG   SER  32           HG       SER  32  15.600   9.849  -1.523
  238    H    LEU  33           HN       LEU  33  13.634   8.013   0.501
  239    HA   LEU  33           HA       LEU  33  16.025   6.965   1.771
  240   1HB   LEU  33          HB2       LEU  33  14.033   6.128   2.677
  241   2HB   LEU  33          HB1       LEU  33  13.317   5.952   1.103
  242    HG   LEU  33           HG       LEU  33  15.645   4.232   1.754
  243   1HD1  LEU  33          HD11      LEU  33  13.138   4.292   3.259
  244   2HD1  LEU  33          HD12      LEU  33  14.689   3.604   3.677
  245   3HD1  LEU  33          HD13      LEU  33  13.583   2.714   2.634
  246   1HD2  LEU  33          HD21      LEU  33  13.029   3.554   0.421
  247   2HD2  LEU  33          HD22      LEU  33  14.555   2.693   0.316
  248   3HD2  LEU  33          HD23      LEU  33  14.380   4.263  -0.453
  249    H    ASN  34           HN       ASN  34  17.107   5.051   0.753
  250    HA   ASN  34           HA       ASN  34  16.779   5.249  -2.140
  251   1HB   ASN  34          HB2       ASN  34  19.214   5.046  -2.331
  252   2HB   ASN  34          HB1       ASN  34  18.790   6.357  -1.230
  253   1HD2  ASN  34          HD21      ASN  34  18.923   5.968   1.047
  254   2HD2  ASN  34          HD22      ASN  34  20.070   4.829   1.655
  255    H    ILE  35           HN       ILE  35  19.107   3.034  -1.882
  256    HA   ILE  35           HA       ILE  35  17.392   0.851  -1.180
  257    HB   ILE  35           HB       ILE  35  18.687  -0.269  -3.285
  258   1HG1  ILE  35          HG12      ILE  35  18.493   1.197  -5.203
  259   2HG1  ILE  35          HG11      ILE  35  17.830   2.483  -4.204
  260   1HG2  ILE  35          HG21      ILE  35  16.487  -0.063  -4.460
  261   2HG2  ILE  35          HG22      ILE  35  15.965   0.995  -3.150
  262   3HG2  ILE  35          HG23      ILE  35  16.403  -0.676  -2.812
  263   1HD1  ILE  35          HD11      ILE  35  20.473   2.137  -4.908
  264   2HD1  ILE  35          HD12      ILE  35  20.401   1.576  -3.237
  265   3HD1  ILE  35          HD13      ILE  35  19.852   3.200  -3.648
  266    H    ASN  36           HN       ASN  36  19.587   2.080   0.138
  267    HA   ASN  36           HA       ASN  36  21.796   0.238  -0.094
  268   1HB   ASN  36          HB2       ASN  36  22.231   2.591   0.499
  269   2HB   ASN  36          HB1       ASN  36  21.235   2.400   1.944
  270   1HD2  ASN  36          HD21      ASN  36  24.074   3.114   1.635
  271   2HD2  ASN  36          HD22      ASN  36  24.950   1.961   2.578
  272    H    GLU  37           HN       GLU  37  19.667   1.179   2.630
  273    HA   GLU  37           HA       GLU  37  20.169  -1.349   3.850
  274   1HB   GLU  37          HB2       GLU  37  17.797   0.294   4.540
  275   2HB   GLU  37          HB1       GLU  37  18.723  -0.785   5.557
  276   1HG   GLU  37          HG2       GLU  37  20.645   0.786   5.286
  277   2HG   GLU  37          HG1       GLU  37  19.540   1.922   4.497
  278    H    PHE  38           HN       PHE  38  17.912  -0.165   1.464
  279    HA   PHE  38           HA       PHE  38  15.882  -1.996   1.669
  280   1HB   PHE  38          HB2       PHE  38  16.153  -0.147  -0.059
  281   2HB   PHE  38          HB1       PHE  38  17.235  -1.221  -0.940
  282    HD1  PHE  38           HD1      PHE  38  15.875  -3.766  -0.958
  283    HD2  PHE  38           HD2      PHE  38  14.245   0.146  -1.212
  284    HE1  PHE  38           HE1      PHE  38  13.920  -4.668  -2.132
  285    HE2  PHE  38           HE2      PHE  38  12.283  -0.744  -2.393
  286    HZ   PHE  38           HZ       PHE  38  12.117  -3.156  -2.855
  287    H    LYS  39           HN       LYS  39  19.202  -2.300   0.730
  288    HA   LYS  39           HA       LYS  39  19.288  -4.776  -0.435
  289   1HB   LYS  39          HB2       LYS  39  21.401  -3.541   1.274
  290   2HB   LYS  39          HB1       LYS  39  21.639  -4.774   0.042
  291   1HG   LYS  39          HG2       LYS  39  20.219  -2.573  -1.042
  292   2HG   LYS  39          HG1       LYS  39  21.722  -2.010  -0.301
  293   1HD   LYS  39          HD2       LYS  39  22.935  -3.761  -1.586
  294   2HD   LYS  39          HD1       LYS  39  21.421  -4.139  -2.409
  295   1HE   LYS  39          HE2       LYS  39  22.720  -2.662  -3.797
  296   2HE   LYS  39          HE1       LYS  39  21.309  -1.797  -3.192
  297   1HZ   LYS  39          HZ1       LYS  39  24.059  -1.601  -2.085
  298   2HZ   LYS  39          HZ2       LYS  39  22.705  -0.765  -1.512
  299   3HZ   LYS  39          HZ3       LYS  39  23.303  -0.443  -3.061
  300    H    GLU  40           HN       GLU  40  18.704  -3.985   2.716
  301    HA   GLU  40           HA       GLU  40  19.393  -6.571   3.797
  302   1HB   GLU  40          HB2       GLU  40  19.103  -5.686   5.901
  303   2HB   GLU  40          HB1       GLU  40  19.525  -4.232   5.005
  304   1HG   GLU  40          HG2       GLU  40  17.318  -3.460   5.013
  305   2HG   GLU  40          HG1       GLU  40  16.670  -5.024   5.508
  306    H    LEU  41           HN       LEU  41  16.902  -5.414   1.965
  307    HA   LEU  41           HA       LEU  41  14.702  -6.683   3.298
  308   1HB   LEU  41          HB2       LEU  41  14.881  -5.540   0.512
  309   2HB   LEU  41          HB1       LEU  41  13.409  -6.096   1.283
  310    HG   LEU  41           HG       LEU  41  14.987  -3.627   1.740
  311   1HD1  LEU  41          HD11      LEU  41  13.203  -2.890   0.648
  312   2HD1  LEU  41          HD12      LEU  41  12.297  -3.171   2.136
  313   3HD1  LEU  41          HD13      LEU  41  12.340  -4.408   0.880
  314   1HD2  LEU  41          HD21      LEU  41  13.131  -4.788   3.818
  315   2HD2  LEU  41          HD22      LEU  41  13.952  -3.229   3.889
  316   3HD2  LEU  41          HD23      LEU  41  14.888  -4.721   3.961
  317    H    ALA  42           HN       ALA  42  15.191  -7.203  -0.172
  318    HA   ALA  42           HA       ALA  42  14.232  -9.632  -0.491
  319   1HB   ALA  42          HB1       ALA  42  16.600  -9.711  -1.965
  320   2HB   ALA  42          HB2       ALA  42  16.083  -8.026  -1.873
  321   3HB   ALA  42          HB3       ALA  42  14.985  -9.257  -2.503
  322    H    THR  43           HN       THR  43  17.313  -8.932   0.911
  323    HA   THR  43           HA       THR  43  18.517 -11.403   0.901
  324    HB   THR  43           HB       THR  43  19.497 -10.337   3.133
  325    HG1  THR  43           HG1      THR  43  18.818  -7.912   1.902
  326   1HG2  THR  43          HG21      THR  43  20.798 -10.635   1.115
  327   2HG2  THR  43          HG22      THR  43  21.043  -8.997   1.720
  328   3HG2  THR  43          HG23      THR  43  19.969  -9.279   0.353
  329    H    GLN  44           HN       GLN  44  16.884  -9.874   3.672
  330    HA   GLN  44           HA       GLN  44  16.506 -12.379   4.959
  331   1HB   GLN  44          HB2       GLN  44  17.042 -10.489   6.341
  332   2HB   GLN  44          HB1       GLN  44  15.697  -9.570   5.682
  333   1HG   GLN  44          HG2       GLN  44  14.112 -11.024   6.760
  334   2HG   GLN  44          HG1       GLN  44  15.412 -12.071   7.330
  335   1HE2  GLN  44          HE21      GLN  44  13.813  -9.007   7.714
  336   2HE2  GLN  44          HE22      GLN  44  14.505  -8.608   9.246
  337    H    GLN  45           HN       GLN  45  14.521 -10.160   3.090
  338    HA   GLN  45           HA       GLN  45  12.094 -11.452   3.930
  339   1HB   GLN  45          HB2       GLN  45  10.917 -10.017   2.497
  340   2HB   GLN  45          HB1       GLN  45  12.237  -9.050   3.131
  341   1HG   GLN  45          HG2       GLN  45  13.083  -8.693   1.120
  342   2HG   GLN  45          HG1       GLN  45  12.892 -10.376   0.630
  343   1HE2  GLN  45          HE21      GLN  45  11.138  -7.397   1.139
  344   2HE2  GLN  45          HE22      GLN  45   9.939  -7.644  -0.082
  345    H    LEU  46           HN       LEU  46  14.555 -12.110   1.625
  346    HA   LEU  46           HA       LEU  46  13.370 -13.474  -0.341
  347   1HB   LEU  46          HB2       LEU  46  15.931 -13.822   1.081
  348   2HB   LEU  46          HB1       LEU  46  15.345 -15.270   0.301
  349    HG   LEU  46           HG       LEU  46  16.623 -12.903  -0.860
  350   1HD1  LEU  46          HD11      LEU  46  17.233 -14.543  -2.567
  351   2HD1  LEU  46          HD12      LEU  46  16.182 -15.728  -1.792
  352   3HD1  LEU  46          HD13      LEU  46  17.592 -15.105  -0.936
  353   1HD2  LEU  46          HD21      LEU  46  14.389 -12.425  -1.700
  354   2HD2  LEU  46          HD22      LEU  46  14.225 -14.087  -2.264
  355   3HD2  LEU  46          HD23      LEU  46  15.420 -13.020  -3.001
  356    HA   PRO  47           HA       PRO  47  12.418 -17.458   1.845
  357   1HB   PRO  47          HB2       PRO  47  13.292 -17.197   4.658
  358   2HB   PRO  47          HB1       PRO  47  13.493 -18.562   3.549
  359   1HG   PRO  47          HG2       PRO  47  15.570 -17.048   4.284
  360   2HG   PRO  47          HG1       PRO  47  15.435 -17.676   2.630
  361   1HD   PRO  47          HD2       PRO  47  14.829 -14.925   3.667
  362   2HD   PRO  47          HD1       PRO  47  15.657 -15.420   2.181
  363    H    HIS  48           HN       HIS  48  10.560 -16.124   1.573
  364    HA   HIS  48           HA       HIS  48   9.232 -15.233   4.008
  365   1HB   HIS  48          HB2       HIS  48   9.273 -14.229   1.344
  366   2HB   HIS  48          HB1       HIS  48   7.607 -14.713   1.683
  367    HD1  HIS  48           HD1      HIS  48  10.307 -12.390   2.889
  368    HD2  HIS  48           HD2      HIS  48   6.278 -13.167   3.532
  369    HE1  HIS  48           HE1      HIS  48   9.480 -10.501   4.327
  370    HE2  HIS  48           HE2      HIS  48   7.038 -10.995   4.707
  371    H    LEU  49           HN       LEU  49   6.572 -15.615   2.924
  372    HA   LEU  49           HA       LEU  49   6.247 -18.419   3.481
  373   1HB   LEU  49          HB2       LEU  49   4.301 -16.225   2.750
  374   2HB   LEU  49          HB1       LEU  49   3.808 -17.886   3.015
  375    HG   LEU  49           HG       LEU  49   4.621 -17.756   5.334
  376   1HD1  LEU  49          HD11      LEU  49   5.192 -15.524   6.257
  377   2HD1  LEU  49          HD12      LEU  49   5.245 -14.898   4.610
  378   3HD1  LEU  49          HD13      LEU  49   6.385 -16.144   5.118
  379   1HD2  LEU  49          HD21      LEU  49   2.708 -15.559   4.557
  380   2HD2  LEU  49          HD22      LEU  49   2.890 -16.239   6.174
  381   3HD2  LEU  49          HD23      LEU  49   2.293 -17.246   4.855
  382    H    LEU  50           HN       LEU  50   4.547 -16.701   0.898
  383    HA   LEU  50           HA       LEU  50   5.106 -18.841  -0.978
  384   1HB   LEU  50          HB2       LEU  50   2.857 -17.727  -0.687
  385   2HB   LEU  50          HB1       LEU  50   3.542 -16.314  -1.469
  386    HG   LEU  50           HG       LEU  50   3.958 -17.636  -3.500
  387   1HD1  LEU  50          HD11      LEU  50   4.273 -19.816  -2.466
  388   2HD1  LEU  50          HD12      LEU  50   3.019 -19.884  -3.705
  389   3HD1  LEU  50          HD13      LEU  50   2.573 -19.852  -1.999
  390   1HD2  LEU  50          HD21      LEU  50   1.608 -17.935  -4.159
  391   2HD2  LEU  50          HD22      LEU  50   1.879 -16.410  -3.316
  392   3HD2  LEU  50          HD23      LEU  50   1.128 -17.762  -2.471
  393    H    LYS  51           HN       LYS  51   7.263 -16.900  -0.132
  394    HA   LYS  51           HA       LYS  51   7.997 -14.961  -1.808
  395   1HB   LYS  51          HB2       LYS  51   9.333 -15.701   0.084
  396   2HB   LYS  51          HB1       LYS  51   9.789 -17.154  -0.794
  397   1HG   LYS  51          HG2       LYS  51  10.407 -14.939  -2.410
  398   2HG   LYS  51          HG1       LYS  51  11.012 -14.588  -0.830
  399   1HD   LYS  51          HD2       LYS  51  11.702 -16.900  -2.625
  400   2HD   LYS  51          HD1       LYS  51  12.784 -15.700  -1.926
  401   1HE   LYS  51          HE2       LYS  51  13.177 -17.025  -0.184
  402   2HE   LYS  51          HE1       LYS  51  11.458 -17.088   0.188
  403   1HZ   LYS  51          HZ1       LYS  51  11.346 -18.848  -1.623
  404   2HZ   LYS  51          HZ2       LYS  51  12.056 -19.288  -0.153
  405   3HZ   LYS  51          HZ3       LYS  51  13.031 -18.936  -1.487
  406    H    ASP  52           HN       ASP  52   9.068 -14.665  -3.685
  407    HA   ASP  52           HA       ASP  52   8.802 -16.785  -5.668
  408   1HB   ASP  52          HB2       ASP  52   9.291 -13.817  -5.957
  409   2HB   ASP  52          HB1       ASP  52   9.164 -14.941  -7.309
  410    H    VAL  53           HN       VAL  53  11.317 -15.297  -3.831
  411    HA   VAL  53           HA       VAL  53  13.517 -15.752  -3.713
  412    HB   VAL  53           HB       VAL  53  12.997 -17.492  -6.095
  413   1HG1  VAL  53          HG11      VAL  53  15.284 -16.952  -6.252
  414   2HG1  VAL  53          HG12      VAL  53  15.230 -18.519  -5.444
  415   3HG1  VAL  53          HG13      VAL  53  15.499 -17.051  -4.505
  416   1HG2  VAL  53          HG21      VAL  53  11.896 -18.224  -4.041
  417   2HG2  VAL  53          HG22      VAL  53  13.457 -18.212  -3.219
  418   3HG2  VAL  53          HG23      VAL  53  13.165 -19.343  -4.540
  419    H    GLY  54           HN       GLY  54  13.418 -13.464  -4.240
  420   1HA   GLY  54          HA2       GLY  54  13.649 -12.304  -6.720
  421   2HA   GLY  54          HA1       GLY  54  14.427 -11.673  -5.277
  422    H    SER  55           HN       SER  55  14.919 -12.888  -8.339
  423    HA   SER  55           HA       SER  55  17.341 -14.250  -8.118
  424   1HB   SER  55          HB2       SER  55  15.890 -13.939 -10.199
  425   2HB   SER  55          HB1       SER  55  16.656 -12.361 -10.376
  426    HG   SER  55           HG       SER  55  18.145 -14.753 -10.139
  427    H    LEU  56           HN       LEU  56  19.444 -13.595  -7.889
  428    HA   LEU  56           HA       LEU  56  20.150 -11.425  -6.440
  429   1HB   LEU  56          HB2       LEU  56  22.432 -11.659  -7.314
  430   2HB   LEU  56          HB1       LEU  56  21.710 -13.208  -6.923
  431    HG   LEU  56           HG       LEU  56  21.112 -13.190  -9.506
  432   1HD1  LEU  56          HD11      LEU  56  23.575 -11.459  -9.349
  433   2HD1  LEU  56          HD12      LEU  56  21.993 -10.968  -9.948
  434   3HD1  LEU  56          HD13      LEU  56  22.922 -12.188 -10.816
  435   1HD2  LEU  56          HD21      LEU  56  23.160 -14.460  -9.908
  436   2HD2  LEU  56          HD22      LEU  56  22.433 -14.886  -8.360
  437   3HD2  LEU  56          HD23      LEU  56  23.846 -13.832  -8.410
  438    H    ASP  57           HN       ASP  57  19.510 -11.451  -9.876
  439    HA   ASP  57           HA       ASP  57  20.544  -8.793 -10.300
  440   1HB   ASP  57          HB2       ASP  57  19.167  -9.023 -12.468
  441   2HB   ASP  57          HB1       ASP  57  20.618 -10.010 -12.283
  442    H    GLU  58           HN       GLU  58  17.373 -10.301 -10.012
  443    HA   GLU  58           HA       GLU  58  15.725  -8.141 -10.504
  444   1HB   GLU  58          HB2       GLU  58  15.051 -10.549 -10.000
  445   2HB   GLU  58          HB1       GLU  58  15.239 -10.151  -8.297
  446   1HG   GLU  58          HG2       GLU  58  13.464  -8.611  -8.353
  447   2HG   GLU  58          HG1       GLU  58  13.420  -8.610 -10.116
  448    H    LYS  59           HN       LYS  59  17.583  -9.017  -7.712
  449    HA   LYS  59           HA       LYS  59  16.589  -6.956  -6.044
  450   1HB   LYS  59          HB2       LYS  59  18.928  -8.829  -5.848
  451   2HB   LYS  59          HB1       LYS  59  18.579  -7.637  -4.611
  452   1HG   LYS  59          HG2       LYS  59  17.019  -8.944  -3.700
  453   2HG   LYS  59          HG1       LYS  59  16.208  -9.124  -5.251
  454   1HD   LYS  59          HD2       LYS  59  16.833 -11.293  -4.469
  455   2HD   LYS  59          HD1       LYS  59  17.860 -10.884  -5.844
  456   1HE   LYS  59          HE2       LYS  59  19.661 -10.262  -4.323
  457   2HE   LYS  59          HE1       LYS  59  18.630 -10.626  -2.939
  458   1HZ   LYS  59          HZ1       LYS  59  19.554 -12.572  -4.985
  459   2HZ   LYS  59          HZ2       LYS  59  18.524 -12.933  -3.695
  460   3HZ   LYS  59          HZ3       LYS  59  20.118 -12.457  -3.393
  461    H    MET  60           HN       MET  60  19.258  -7.259  -8.268
  462    HA   MET  60           HA       MET  60  20.448  -4.796  -7.425
  463   1HB   MET  60          HB2       MET  60  21.023  -6.627  -9.751
  464   2HB   MET  60          HB1       MET  60  21.928  -5.152  -9.436
  465   1HG   MET  60          HG2       MET  60  21.696  -7.476  -7.541
  466   2HG   MET  60          HG1       MET  60  23.061  -7.168  -8.612
  467   1HE   MET  60          HE1       MET  60  23.324  -7.609  -5.468
  468   2HE   MET  60          HE2       MET  60  24.477  -6.346  -5.038
  469   3HE   MET  60          HE3       MET  60  24.712  -7.294  -6.508
  470    H    LYS  61           HN       LYS  61  18.128  -5.836  -9.725
  471    HA   LYS  61           HA       LYS  61  18.241  -3.498 -11.400
  472   1HB   LYS  61          HB2       LYS  61  17.568  -5.516 -12.466
  473   2HB   LYS  61          HB1       LYS  61  16.384  -5.863 -11.210
  474   1HG   LYS  61          HG2       LYS  61  15.096  -3.882 -11.959
  475   2HG   LYS  61          HG1       LYS  61  16.233  -3.695 -13.295
  476   1HD   LYS  61          HD2       LYS  61  15.651  -5.912 -14.122
  477   2HD   LYS  61          HD1       LYS  61  14.549  -6.142 -12.763
  478   1HE   LYS  61          HE2       LYS  61  13.325  -5.514 -14.770
  479   2HE   LYS  61          HE1       LYS  61  13.198  -4.258 -13.541
  480   1HZ   LYS  61          HZ1       LYS  61  14.880  -2.985 -14.691
  481   2HZ   LYS  61          HZ2       LYS  61  13.614  -3.346 -15.753
  482   3HZ   LYS  61          HZ3       LYS  61  15.068  -4.205 -15.848
  483    H    THR  62           HN       THR  62  15.623  -4.888  -9.419
  484    HA   THR  62           HA       THR  62  13.994  -2.684  -9.327
  485    HB   THR  62           HB       THR  62  14.464  -4.620  -7.048
  486    HG1  THR  62           HG1      THR  62  13.687  -5.239  -9.390
  487   1HG2  THR  62          HG21      THR  62  12.176  -4.054  -6.378
  488   2HG2  THR  62          HG22      THR  62  12.081  -2.875  -7.685
  489   3HG2  THR  62          HG23      THR  62  13.215  -2.629  -6.357
  490    H    LEU  63           HN       LEU  63  16.982  -3.275  -7.718
  491    HA   LEU  63           HA       LEU  63  17.102  -1.581  -5.613
  492   1HB   LEU  63          HB2       LEU  63  18.904  -3.041  -6.511
  493   2HB   LEU  63          HB1       LEU  63  19.190  -1.866  -7.775
  494    HG   LEU  63           HG       LEU  63  19.417  -1.042  -4.910
  495   1HD1  LEU  63          HD11      LEU  63  21.901  -1.598  -5.229
  496   2HD1  LEU  63          HD12      LEU  63  21.345  -2.702  -6.487
  497   3HD1  LEU  63          HD13      LEU  63  20.797  -2.911  -4.824
  498   1HD2  LEU  63          HD21      LEU  63  21.033   0.528  -5.829
  499   2HD2  LEU  63          HD22      LEU  63  19.520   0.650  -6.721
  500   3HD2  LEU  63          HD23      LEU  63  20.885  -0.215  -7.419
  501    H    ASP  64           HN       ASP  64  18.078  -0.585  -8.907
  502    HA   ASP  64           HA       ASP  64  17.981   2.180  -8.255
  503   1HB   ASP  64          HB2       ASP  64  18.009   0.869 -10.977
  504   2HB   ASP  64          HB1       ASP  64  18.307   2.576 -10.642
  505    H    VAL  65           HN       VAL  65  15.562  -0.083  -9.089
  506    HA   VAL  65           HA       VAL  65  13.742   1.817 -10.261
  507    HB   VAL  65           HB       VAL  65  13.175  -0.959  -9.178
  508   1HG1  VAL  65          HG11      VAL  65  11.150  -0.842 -10.537
  509   2HG1  VAL  65          HG12      VAL  65  11.561   0.801 -11.027
  510   3HG1  VAL  65          HG13      VAL  65  11.178   0.453  -9.341
  511   1HG2  VAL  65          HG21      VAL  65  14.823  -1.005 -10.977
  512   2HG2  VAL  65          HG22      VAL  65  13.750  -0.047 -11.998
  513   3HG2  VAL  65          HG23      VAL  65  13.285  -1.678 -11.515
  514    H    ASN  66           HN       ASN  66  13.370  -0.212  -7.368
  515    HA   ASN  66           HA       ASN  66  11.655   1.738  -6.102
  516   1HB   ASN  66          HB2       ASN  66  12.812  -0.808  -4.964
  517   2HB   ASN  66          HB1       ASN  66  11.443   0.098  -4.320
  518   1HD2  ASN  66          HD21      ASN  66  10.161  -1.767  -4.473
  519   2HD2  ASN  66          HD22      ASN  66   9.534  -2.312  -5.988
  520    H    GLN  67           HN       GLN  67  14.066   3.003  -6.495
  521    HA   GLN  67           HA       GLN  67  15.792   2.608  -4.251
  522   1HB   GLN  67          HB2       GLN  67  17.155   4.285  -5.148
  523   2HB   GLN  67          HB1       GLN  67  16.498   3.457  -6.547
  524   1HG   GLN  67          HG2       GLN  67  15.501   6.029  -5.417
  525   2HG   GLN  67          HG1       GLN  67  16.619   5.901  -6.763
  526   1HE2  GLN  67          HE21      GLN  67  13.854   6.957  -6.428
  527   2HE2  GLN  67          HE22      GLN  67  12.926   6.212  -7.648
  528    H    ASP  68           HN       ASP  68  13.491   5.088  -5.217
  529    HA   ASP  68           HA       ASP  68  13.718   6.332  -2.623
  530   1HB   ASP  68          HB2       ASP  68  12.367   7.198  -5.159
  531   2HB   ASP  68          HB1       ASP  68  12.125   8.022  -3.621
  532    H    SER  69           HN       SER  69  12.451   3.667  -3.072
  533    HA   SER  69           HA       SER  69   9.755   3.493  -3.141
  534   1HB   SER  69          HB2       SER  69  10.595   1.403  -2.815
  535   2HB   SER  69          HB1       SER  69  11.919   1.986  -1.812
  536    HG   SER  69           HG       SER  69  10.596   0.817  -0.492
  537    H    GLU  70           HN       GLU  70  11.802   4.635  -0.635
  538    HA   GLU  70           HA       GLU  70   9.457   5.509   0.922
  539   1HB   GLU  70          HB2       GLU  70  10.666   4.449   2.539
  540   2HB   GLU  70          HB1       GLU  70  12.164   4.654   1.660
  541   1HG   GLU  70          HG2       GLU  70  12.301   5.915   3.701
  542   2HG   GLU  70          HG1       GLU  70  12.221   7.041   2.355
  543    H    LEU  71           HN       LEU  71   9.381   7.705   1.553
  544    HA   LEU  71           HA       LEU  71  11.449   9.370   0.422
  545   1HB   LEU  71          HB2       LEU  71  10.019   9.166  -1.314
  546   2HB   LEU  71          HB1       LEU  71   8.604   9.163  -0.306
  547    HG   LEU  71           HG       LEU  71   8.876  11.076  -1.636
  548   1HD1  LEU  71          HD11      LEU  71   9.042  12.551   0.723
  549   2HD1  LEU  71          HD12      LEU  71   8.130  11.078   0.999
  550   3HD1  LEU  71          HD13      LEU  71   7.635  12.202  -0.261
  551   1HD2  LEU  71          HD21      LEU  71  10.617  12.718  -0.936
  552   2HD2  LEU  71          HD22      LEU  71  11.088  11.371  -1.918
  553   3HD2  LEU  71          HD23      LEU  71  11.376  11.335  -0.215
  554    H    ARG  72           HN       ARG  72  11.774  11.339   1.378
  555    HA   ARG  72           HA       ARG  72  10.097  12.063   3.664
  556   1HB   ARG  72          HB2       ARG  72  12.751  13.328   3.238
  557   2HB   ARG  72          HB1       ARG  72  11.967  12.866   4.743
  558   1HG   ARG  72          HG2       ARG  72  13.588  11.211   2.858
  559   2HG   ARG  72          HG1       ARG  72  13.805  11.450   4.591
  560   1HD   ARG  72          HD2       ARG  72  12.032   9.599   3.113
  561   2HD   ARG  72          HD1       ARG  72  12.931   9.357   4.607
  562    HE   ARG  72           HE       ARG  72  10.228  10.281   4.363
  563   1HH1  ARG  72          HH11      ARG  72  13.082  10.312   6.357
  564   2HH1  ARG  72          HH12      ARG  72  12.210  10.591   7.826
  565   1HH2  ARG  72          HH21      ARG  72   9.069  10.645   6.294
  566   2HH2  ARG  72          HH22      ARG  72   9.928  10.782   7.791
  567    H    PHE  73           HN       PHE  73  11.518  13.120   0.651
  568    HA   PHE  73           HA       PHE  73  10.212  15.695   0.844
  569   1HB   PHE  73          HB2       PHE  73  11.580  16.500  -0.897
  570   2HB   PHE  73          HB1       PHE  73  12.615  15.591   0.176
  571    HD1  PHE  73           HD1      PHE  73  12.707  12.918  -0.772
  572    HD2  PHE  73           HD2      PHE  73  12.183  16.466  -3.045
  573    HE1  PHE  73           HE1      PHE  73  13.528  11.749  -2.725
  574    HE2  PHE  73           HE2      PHE  73  13.045  15.304  -5.028
  575    HZ   PHE  73           HZ       PHE  73  13.729  12.947  -4.879
  576    H    SER  74           HN       SER  74  10.420  14.145  -2.447
  577    HA   SER  74           HA       SER  74   7.489  14.234  -2.383
  578   1HB   SER  74          HB2       SER  74   7.752  14.643  -4.947
  579   2HB   SER  74          HB1       SER  74   7.924  15.996  -3.832
  580    HG   SER  74           HG       SER  74  10.109  14.447  -4.759
  581    H    GLU  75           HN       GLU  75  10.146  12.343  -3.134
  582    HA   GLU  75           HA       GLU  75   9.063  10.623  -5.044
  583   1HB   GLU  75          HB2       GLU  75  11.007   9.876  -2.877
  584   2HB   GLU  75          HB1       GLU  75  10.778   9.053  -4.409
  585   1HG   GLU  75          HG2       GLU  75  11.584  11.904  -4.324
  586   2HG   GLU  75          HG1       GLU  75  12.774  10.621  -4.109
  587    H    TYR  76           HN       TYR  76   7.185  10.972  -2.555
  588    HA   TYR  76           HA       TYR  76   7.111   8.467  -1.304
  589   1HB   TYR  76          HB2       TYR  76   5.510  10.915  -1.235
  590   2HB   TYR  76          HB1       TYR  76   4.549   9.457  -1.015
  591    HD1  TYR  76           HD1      TYR  76   4.892  11.651   1.003
  592    HD2  TYR  76           HD2      TYR  76   7.070   8.059   0.387
  593    HE1  TYR  76           HE1      TYR  76   5.623  11.661   3.348
  594    HE2  TYR  76           HE2      TYR  76   7.804   8.062   2.646
  595    HH   TYR  76           HH       TYR  76   8.093   9.669   4.527
  596    H    TRP  77           HN       TRP  77   5.934   9.659  -4.258
  597    HA   TRP  77           HA       TRP  77   3.905   7.767  -4.752
  598   1HB   TRP  77          HB2       TRP  77   4.333   8.144  -7.142
  599   2HB   TRP  77          HB1       TRP  77   4.314   9.674  -6.278
  600    HD1  TRP  77           HD1      TRP  77   6.952   7.085  -7.407
  601    HE1  TRP  77           HE1      TRP  77   9.053   8.355  -8.117
  602    HE3  TRP  77           HE3      TRP  77   5.422  11.838  -6.371
  603    HZ2  TRP  77           HZ2      TRP  77   9.966  11.036  -8.232
  604    HZ3  TRP  77           HZ3      TRP  77   6.958  13.699  -6.795
  605    HH2  TRP  77           HH2      TRP  77   9.188  13.309  -7.713
  606    H    ARG  78           HN       ARG  78   7.248   7.316  -4.213
  607    HA   ARG  78           HA       ARG  78   7.588   5.069  -5.957
  608   1HB   ARG  78          HB2       ARG  78   9.211   6.125  -3.648
  609   2HB   ARG  78          HB1       ARG  78   9.712   4.749  -4.624
  610   1HG   ARG  78          HG2       ARG  78   9.022   7.201  -6.093
  611   2HG   ARG  78          HG1       ARG  78  10.458   7.286  -5.083
  612   1HD   ARG  78          HD2       ARG  78  10.797   6.570  -7.490
  613   2HD   ARG  78          HD1       ARG  78  11.517   5.543  -6.251
  614    HE   ARG  78           HE       ARG  78   9.212   4.296  -6.624
  615   1HH1  ARG  78          HH11      ARG  78  11.457   5.575  -8.977
  616   2HH1  ARG  78          HH12      ARG  78  11.022   4.425 -10.194
  617   1HH2  ARG  78          HH21      ARG  78   8.651   2.784  -8.224
  618   2HH2  ARG  78          HH22      ARG  78   9.433   2.840  -9.768
  619    H    LEU  79           HN       LEU  79   6.668   5.663  -2.631
  620    HA   LEU  79           HA       LEU  79   6.720   2.985  -1.754
  621   1HB   LEU  79          HB2       LEU  79   4.506   4.532  -0.644
  622   2HB   LEU  79          HB1       LEU  79   5.787   3.676   0.169
  623    HG   LEU  79           HG       LEU  79   6.791   6.164  -0.971
  624   1HD1  LEU  79          HD11      LEU  79   5.128   7.573  -0.458
  625   2HD1  LEU  79          HD12      LEU  79   5.180   7.027   1.209
  626   3HD1  LEU  79          HD13      LEU  79   4.118   6.234   0.058
  627   1HD2  LEU  79          HD21      LEU  79   6.473   5.405   1.918
  628   2HD2  LEU  79          HD22      LEU  79   7.716   6.405   1.168
  629   3HD2  LEU  79          HD23      LEU  79   7.700   4.667   0.894
  630    H    ILE  80           HN       ILE  80   4.664   4.746  -3.853
  631    HA   ILE  80           HA       ILE  80   2.242   3.656  -3.545
  632    HB   ILE  80           HB       ILE  80   3.148   5.389  -5.284
  633   1HG1  ILE  80          HG12      ILE  80   0.796   3.567  -5.848
  634   2HG1  ILE  80          HG11      ILE  80   0.782   5.004  -4.831
  635   1HG2  ILE  80          HG21      ILE  80   3.019   2.904  -6.970
  636   2HG2  ILE  80          HG22      ILE  80   4.463   3.843  -6.596
  637   3HG2  ILE  80          HG23      ILE  80   3.175   4.556  -7.565
  638   1HD1  ILE  80          HD11      ILE  80   1.313   6.370  -6.809
  639   2HD1  ILE  80          HD12      ILE  80  -0.209   5.494  -6.968
  640   3HD1  ILE  80          HD13      ILE  80   1.232   4.916  -7.804
  641    H    GLY  81           HN       GLY  81   4.730   2.200  -5.652
  642   1HA   GLY  81          HA2       GLY  81   3.128  -0.195  -5.934
  643   2HA   GLY  81          HA1       GLY  81   4.726   0.080  -6.613
  644    H    GLU  82           HN       GLU  82   4.899   0.943  -3.428
  645    HA   GLU  82           HA       GLU  82   6.377  -1.466  -2.801
  646   1HB   GLU  82          HB2       GLU  82   5.858   1.016  -1.196
  647   2HB   GLU  82          HB1       GLU  82   6.932  -0.287  -0.699
  648   1HG   GLU  82          HG2       GLU  82   7.270   1.409  -3.157
  649   2HG   GLU  82          HG1       GLU  82   8.180   1.600  -1.659
  650    H    LEU  83           HN       LEU  83   3.854   0.376  -1.124
  651    HA   LEU  83           HA       LEU  83   3.239  -1.427   0.857
  652   1HB   LEU  83          HB2       LEU  83   1.495   0.529  -0.618
  653   2HB   LEU  83          HB1       LEU  83   0.896  -0.428   0.723
  654    HG   LEU  83           HG       LEU  83   2.700   0.591   2.152
  655   1HD1  LEU  83          HD11      LEU  83   3.060   2.316  -0.287
  656   2HD1  LEU  83          HD12      LEU  83   4.272   1.317   0.517
  657   3HD1  LEU  83          HD13      LEU  83   3.635   2.749   1.323
  658   1HD2  LEU  83          HD21      LEU  83   0.694   2.458   0.898
  659   2HD2  LEU  83          HD22      LEU  83   1.529   2.728   2.428
  660   3HD2  LEU  83          HD23      LEU  83   0.409   1.376   2.262
  661    H    ALA  84           HN       ALA  84   2.502  -1.575  -2.512
  662    HA   ALA  84           HA       ALA  84   0.493  -3.583  -2.270
  663   1HB   ALA  84          HB1       ALA  84   0.890  -3.845  -4.742
  664   2HB   ALA  84          HB2       ALA  84   2.108  -2.580  -4.593
  665   3HB   ALA  84          HB3       ALA  84   0.421  -2.231  -4.212
  666    H    LYS  85           HN       LYS  85   3.957  -3.555  -2.639
  667    HA   LYS  85           HA       LYS  85   4.575  -6.123  -3.458
  668   1HB   LYS  85          HB2       LYS  85   5.918  -4.616  -1.217
  669   2HB   LYS  85          HB1       LYS  85   6.630  -5.899  -2.191
  670   1HG   LYS  85          HG2       LYS  85   6.432  -4.489  -4.183
  671   2HG   LYS  85          HG1       LYS  85   5.750  -3.201  -3.198
  672   1HD   LYS  85          HD2       LYS  85   8.513  -4.363  -3.037
  673   2HD   LYS  85          HD1       LYS  85   8.072  -2.741  -3.559
  674   1HE   LYS  85          HE2       LYS  85   7.338  -2.177  -1.333
  675   2HE   LYS  85          HE1       LYS  85   7.611  -3.825  -0.779
  676   1HZ   LYS  85          HZ1       LYS  85   9.705  -3.322  -0.350
  677   2HZ   LYS  85          HZ2       LYS  85   9.378  -1.710  -0.728
  678   3HZ   LYS  85          HZ3       LYS  85   9.965  -2.751  -1.921
  679    H    GLU  86           HN       GLU  86   3.112  -5.117  -0.509
  680    HA   GLU  86           HA       GLU  86   3.439  -7.694   0.725
  681   1HB   GLU  86          HB2       GLU  86   1.571  -5.522   1.627
  682   2HB   GLU  86          HB1       GLU  86   2.373  -6.756   2.588
  683   1HG   GLU  86          HG2       GLU  86   3.641  -4.421   1.210
  684   2HG   GLU  86          HG1       GLU  86   3.395  -4.630   2.932
  685    H    VAL  87           HN       VAL  87   0.855  -5.783  -0.689
  686    HA   VAL  87           HA       VAL  87  -1.131  -7.793  -0.333
  687    HB   VAL  87           HB       VAL  87  -1.122  -5.223  -1.924
  688   1HG1  VAL  87          HG11      VAL  87  -3.586  -5.506  -2.040
  689   2HG1  VAL  87          HG12      VAL  87  -3.379  -7.159  -1.471
  690   3HG1  VAL  87          HG13      VAL  87  -2.685  -6.660  -3.010
  691   1HG2  VAL  87          HG21      VAL  87  -1.000  -4.845   0.430
  692   2HG2  VAL  87          HG22      VAL  87  -2.308  -5.986   0.733
  693   3HG2  VAL  87          HG23      VAL  87  -2.635  -4.470  -0.109
  694    H    ARG  88           HN       ARG  88   1.379  -7.542  -2.536
  695    HA   ARG  88           HA       ARG  88   0.043  -8.377  -4.892
  696   1HB   ARG  88          HB2       ARG  88   2.362  -7.321  -4.671
  697   2HB   ARG  88          HB1       ARG  88   2.930  -8.941  -4.274
  698   1HG   ARG  88          HG2       ARG  88   2.111  -9.764  -6.420
  699   2HG   ARG  88          HG1       ARG  88   1.537  -8.143  -6.819
  700   1HD   ARG  88          HD2       ARG  88   3.660  -8.524  -7.896
  701   2HD   ARG  88          HD1       ARG  88   3.860  -7.317  -6.626
  702    HE   ARG  88           HE       ARG  88   4.472  -9.710  -5.440
  703   1HH1  ARG  88          HH11      ARG  88   5.637  -7.923  -8.192
  704   2HH1  ARG  88          HH12      ARG  88   7.251  -8.540  -8.073
  705   1HH2  ARG  88          HH21      ARG  88   6.592 -10.529  -5.273
  706   2HH2  ARG  88          HH22      ARG  88   7.794 -10.023  -6.413
  707    H    LYS  89           HN       LYS  89   2.348 -10.336  -2.999
  708    HA   LYS  89           HA       LYS  89   1.308 -12.757  -4.065
  709   1HB   LYS  89          HB2       LYS  89   2.838 -13.917  -2.705
  710   2HB   LYS  89          HB1       LYS  89   3.653 -12.433  -3.157
  711   1HG   LYS  89          HG2       LYS  89   2.282 -12.051  -0.668
  712   2HG   LYS  89          HG1       LYS  89   3.279 -13.488  -0.589
  713   1HD   LYS  89          HD2       LYS  89   4.655 -11.736   0.090
  714   2HD   LYS  89          HD1       LYS  89   5.103 -12.042  -1.584
  715   1HE   LYS  89          HE2       LYS  89   2.990 -10.083  -1.242
  716   2HE   LYS  89          HE1       LYS  89   4.546  -9.629  -0.550
  717   1HZ   LYS  89          HZ1       LYS  89   5.611  -9.967  -2.643
  718   2HZ   LYS  89          HZ2       LYS  89   4.282  -8.957  -2.902
  719   3HZ   LYS  89          HZ3       LYS  89   4.202 -10.589  -3.341
  720    H    GLU  90           HN       GLU  90   0.544 -10.767  -1.365
  721    HA   GLU  90           HA       GLU  90  -0.840 -12.659   0.188
  722   1HB   GLU  90          HB2       GLU  90  -0.773  -9.666   0.053
  723   2HB   GLU  90          HB1       GLU  90  -2.001 -10.472   1.035
  724   1HG   GLU  90          HG2       GLU  90   0.975 -10.849   1.290
  725   2HG   GLU  90          HG1       GLU  90  -0.033  -9.866   2.353
  726    H    LYS  91           HN       LYS  91  -1.596 -11.364  -2.840
  727    HA   LYS  91           HA       LYS  91  -4.394 -11.151  -2.608
  728   1HB   LYS  91          HB2       LYS  91  -4.470 -10.945  -4.928
  729   2HB   LYS  91          HB1       LYS  91  -2.943 -10.220  -4.461
  730   1HG   LYS  91          HG2       LYS  91  -1.785 -12.292  -5.107
  731   2HG   LYS  91          HG1       LYS  91  -3.328 -12.974  -5.619
  732   1HD   LYS  91          HD2       LYS  91  -3.575 -11.270  -7.308
  733   2HD   LYS  91          HD1       LYS  91  -2.124 -10.444  -6.738
  734   1HE   LYS  91          HE2       LYS  91  -1.719 -11.786  -8.766
  735   2HE   LYS  91          HE1       LYS  91  -0.750 -12.319  -7.394
  736   1HZ   LYS  91          HZ1       LYS  91  -1.699 -14.191  -8.586
  737   2HZ   LYS  91          HZ2       LYS  91  -3.262 -13.596  -8.332
  738   3HZ   LYS  91          HZ3       LYS  91  -2.330 -14.107  -7.017
  739    H    ALA  92           HN       ALA  92  -2.332 -13.736  -3.814
  740    HA   ALA  92           HA       ALA  92  -4.546 -15.561  -4.096
  741   1HB   ALA  92          HB1       ALA  92  -2.894 -17.176  -4.825
  742   2HB   ALA  92          HB2       ALA  92  -1.590 -16.119  -4.285
  743   3HB   ALA  92          HB3       ALA  92  -2.621 -15.629  -5.628
  744    H    LEU  93           HN       LEU  93  -2.067 -14.954  -1.692
  745    HA   LEU  93           HA       LEU  93  -2.684 -17.382  -0.249
  746   1HB   LEU  93          HB2       LEU  93  -0.421 -16.338  -0.215
  747   2HB   LEU  93          HB1       LEU  93  -1.098 -15.002   0.700
  748    HG   LEU  93           HG       LEU  93  -1.573 -17.704   1.809
  749   1HD1  LEU  93          HD11      LEU  93   1.155 -16.401   1.816
  750   2HD1  LEU  93          HD12      LEU  93   0.728 -17.950   1.088
  751   3HD1  LEU  93          HD13      LEU  93   0.675 -17.755   2.840
  752   1HD2  LEU  93          HD21      LEU  93  -2.359 -15.702   2.950
  753   2HD2  LEU  93          HD22      LEU  93  -0.720 -15.054   2.987
  754   3HD2  LEU  93          HD23      LEU  93  -1.116 -16.505   3.907
  755    H    GLY  94           HN       GLY  94  -3.863 -14.156  -0.347
  756   1HA   GLY  94          HA2       GLY  94  -4.890 -13.722   2.167
  757   2HA   GLY  94          HA1       GLY  94  -5.701 -13.246   0.681
  758    H    ILE  95           HN       ILE  95  -5.836 -16.093  -0.151
  759    HA   ILE  95           HA       ILE  95  -8.432 -16.581   0.761
  760    HB   ILE  95           HB       ILE  95  -8.285 -18.683  -0.456
  761   1HG1  ILE  95          HG12      ILE  95  -5.348 -18.010  -0.513
  762   2HG1  ILE  95          HG11      ILE  95  -6.104 -19.503   0.014
  763   1HG2  ILE  95          HG21      ILE  95  -8.835 -16.821  -1.745
  764   2HG2  ILE  95          HG22      ILE  95  -7.580 -17.645  -2.663
  765   3HG2  ILE  95          HG23      ILE  95  -7.184 -16.206  -1.719
  766   1HD1  ILE  95          HD11      ILE  95  -4.953 -19.756  -2.122
  767   2HD1  ILE  95          HD12      ILE  95  -6.004 -18.529  -2.828
  768   3HD1  ILE  95          HD13      ILE  95  -6.684 -20.057  -2.266
  769    H    ARG  96           HN       ARG  96  -7.593 -16.356   3.128
  770    HA   ARG  96           HA       ARG  96  -6.395 -18.445   4.488
  771   1HB   ARG  96          HB2       ARG  96  -8.665 -16.648   5.355
  772   2HB   ARG  96          HB1       ARG  96  -7.775 -17.698   6.449
  773   1HG   ARG  96          HG2       ARG  96  -6.583 -15.457   4.829
  774   2HG   ARG  96          HG1       ARG  96  -7.014 -15.368   6.537
  775   1HD   ARG  96          HD2       ARG  96  -5.027 -17.306   5.360
  776   2HD   ARG  96          HD1       ARG  96  -4.602 -15.786   6.145
  777    HE   ARG  96           HE       ARG  96  -6.161 -17.187   7.947
  778   1HH1  ARG  96          HH11      ARG  96  -3.126 -17.636   6.301
  779   2HH1  ARG  96          HH12      ARG  96  -2.426 -18.580   7.573
  780   1HH2  ARG  96          HH21      ARG  96  -5.248 -18.427   9.632
  781   2HH2  ARG  96          HH22      ARG  96  -3.633 -19.030   9.468
  782    H    LYS  97           HN       LYS  97  -9.493 -18.232   2.982
  783    HA   LYS  97           HA       LYS  97 -10.559 -20.601   4.256
  784   1HB   LYS  97          HB2       LYS  97 -11.939 -19.744   1.826
  785   2HB   LYS  97          HB1       LYS  97 -12.567 -19.940   3.452
  786   1HG   LYS  97          HG2       LYS  97 -11.118 -17.506   2.414
  787   2HG   LYS  97          HG1       LYS  97 -12.857 -17.656   2.623
  788   1HD   LYS  97          HD2       LYS  97 -12.731 -17.592   4.917
  789   2HD   LYS  97          HD1       LYS  97 -11.067 -18.182   4.949
  790   1HE   LYS  97          HE2       LYS  97 -10.247 -16.068   4.167
  791   2HE   LYS  97          HE1       LYS  97 -11.889 -15.458   3.927
  792   1HZ   LYS  97          HZ1       LYS  97 -12.231 -15.659   6.334
  793   2HZ   LYS  97          HZ2       LYS  97 -10.956 -14.608   5.970
  794   3HZ   LYS  97          HZ3       LYS  97 -10.630 -16.170   6.528
  795    H    LYS  98           HN       LYS  98  -8.875 -22.067   3.641
  796    HA   LYS  98           HA       LYS  98  -8.853 -22.760   0.781
  797   1HB   LYS  98          HB2       LYS  98  -6.826 -23.559   2.874
  798   2HB   LYS  98          HB1       LYS  98  -6.698 -23.791   1.139
  799   1HG   LYS  98          HG2       LYS  98  -6.895 -21.173   1.081
  800   2HG   LYS  98          HG1       LYS  98  -6.353 -21.313   2.754
  801   1HD   LYS  98          HD2       LYS  98  -4.352 -21.108   1.634
  802   2HD   LYS  98          HD1       LYS  98  -4.521 -22.863   1.723
  803   1HE   LYS  98          HE2       LYS  98  -5.351 -21.169  -0.631
  804   2HE   LYS  98          HE1       LYS  98  -3.824 -22.044  -0.516
  805   1HZ   LYS  98          HZ1       LYS  98  -6.560 -23.162  -0.682
  806   2HZ   LYS  98          HZ2       LYS  98  -5.234 -24.094  -0.196
  807   3HZ   LYS  98          HZ3       LYS  98  -5.264 -23.407  -1.741
  808   1H    MET   1          HT1       MET   1  19.501  -4.607  -2.510
  809   2H    MET   1          HT2       MET   1  18.150  -3.619  -2.265
  810   3H    MET   1          HT3       MET   1  18.621  -4.030  -3.836
  811    HA   MET   1           HA       MET   1  18.170  -6.380  -3.321
  812   1HB   MET   1          HB2       MET   1  17.650  -5.150  -0.742
  813   2HB   MET   1          HB1       MET   1  16.404  -6.250  -1.226
  814   1HG   MET   1          HG2       MET   1  18.241  -7.181   0.206
  815   2HG   MET   1          HG1       MET   1  17.892  -8.072  -1.275
  816   1HE   MET   1          HE1       MET   1  21.286  -8.635  -2.596
  817   2HE   MET   1          HE2       MET   1  19.595  -8.619  -3.092
  818   3HE   MET   1          HE3       MET   1  20.063  -9.397  -1.580
  819    H    ALA   2           HN       ALA   2  16.028  -7.278  -3.640
  820    HA   ALA   2           HA       ALA   2  14.134  -5.234  -4.539
  821   1HB   ALA   2          HB1       ALA   2  14.768  -6.445  -6.444
  822   2HB   ALA   2          HB2       ALA   2  13.194  -7.094  -5.990
  823   3HB   ALA   2          HB3       ALA   2  14.664  -7.988  -5.598
  824    H    ALA   3           HN       ALA   3  12.313  -5.046  -3.444
  825    HA   ALA   3           HA       ALA   3  11.639  -6.810  -1.315
  826   1HB   ALA   3          HB1       ALA   3   9.428  -5.452  -1.487
  827   2HB   ALA   3          HB2       ALA   3  10.343  -4.477  -2.640
  828   3HB   ALA   3          HB3       ALA   3  10.915  -4.648  -0.985
  829    H    GLU   4           HN       GLU   4  11.630  -8.808  -2.379
  830    HA   GLU   4           HA       GLU   4  10.010  -9.437  -4.605
  831   1HB   GLU   4          HB2       GLU   4  11.323 -11.159  -2.510
  832   2HB   GLU   4          HB1       GLU   4  10.552 -11.790  -3.961
  833   1HG   GLU   4          HG2       GLU   4  12.861  -9.870  -3.907
  834   2HG   GLU   4          HG1       GLU   4  12.986 -11.611  -4.113
  835    H    THR   5           HN       THR   5   9.693 -11.151  -1.539
  836    HA   THR   5           HA       THR   5   6.889 -11.502  -1.978
  837    HB   THR   5           HB       THR   5   8.043 -12.263   0.641
  838    HG1  THR   5           HG1      THR   5   9.788 -13.032  -0.315
  839   1HG2  THR   5          HG21      THR   5   6.979 -14.468  -0.175
  840   2HG2  THR   5          HG22      THR   5   6.308 -13.495  -1.473
  841   3HG2  THR   5          HG23      THR   5   5.906 -13.125   0.203
  842    H    LEU   6           HN       LEU   6   6.330 -11.451   1.003
  843    HA   LEU   6           HA       LEU   6   5.240  -8.849   1.116
  844   1HB   LEU   6          HB2       LEU   6   5.580 -11.030   3.166
  845   2HB   LEU   6          HB1       LEU   6   4.779  -9.523   3.519
  846    HG   LEU   6           HG       LEU   6   3.512 -10.495   1.221
  847   1HD1  LEU   6          HD11      LEU   6   2.866 -12.727   1.738
  848   2HD1  LEU   6          HD12      LEU   6   3.713 -12.680   3.283
  849   3HD1  LEU   6          HD13      LEU   6   4.630 -12.675   1.777
  850   1HD2  LEU   6          HD21      LEU   6   2.911  -9.894   4.011
  851   2HD2  LEU   6          HD22      LEU   6   1.858 -11.124   3.317
  852   3HD2  LEU   6          HD23      LEU   6   1.987  -9.541   2.551
  853    H    THR   7           HN       THR   7   6.800  -7.238   1.069
  854    HA   THR   7           HA       THR   7   9.201  -7.346   2.576
  855    HB   THR   7           HB       THR   7   8.182  -4.645   2.033
  856    HG1  THR   7           HG1      THR   7   7.214  -5.475   0.244
  857   1HG2  THR   7          HG21      THR   7  10.553  -5.663   0.601
  858   2HG2  THR   7          HG22      THR   7  10.637  -5.753   2.366
  859   3HG2  THR   7          HG23      THR   7  10.348  -4.201   1.578
  860    H    GLU   8           HN       GLU   8   9.670  -5.550   4.222
  861    HA   GLU   8           HA       GLU   8   8.420  -6.057   6.581
  862   1HB   GLU   8          HB2       GLU   8   9.353  -3.264   5.987
  863   2HB   GLU   8          HB1       GLU   8   9.460  -4.157   7.499
  864   1HG   GLU   8          HG2       GLU   8  11.087  -4.601   5.002
  865   2HG   GLU   8          HG1       GLU   8  11.642  -3.988   6.560
  866    H    LEU   9           HN       LEU   9   7.341  -3.955   4.070
  867    HA   LEU   9           HA       LEU   9   5.455  -2.408   5.372
  868   1HB   LEU   9          HB2       LEU   9   5.226  -3.493   2.592
  869   2HB   LEU   9          HB1       LEU   9   4.539  -2.011   3.202
  870    HG   LEU   9           HG       LEU   9   7.421  -2.637   2.614
  871   1HD1  LEU   9          HD11      LEU   9   5.516  -0.534   1.613
  872   2HD1  LEU   9          HD12      LEU   9   6.196  -1.885   0.711
  873   3HD1  LEU   9          HD13      LEU   9   7.240  -0.575   1.255
  874   1HD2  LEU   9          HD21      LEU   9   6.362  -0.877   4.652
  875   2HD2  LEU   9          HD22      LEU   9   7.337  -0.015   3.474
  876   3HD2  LEU   9          HD23      LEU   9   8.020  -1.383   4.342
  877    H    GLU  10           HN       GLU  10   5.255  -5.795   4.529
  878    HA   GLU  10           HA       GLU  10   2.501  -6.115   4.356
  879   1HB   GLU  10          HB2       GLU  10   3.005  -8.396   5.540
  880   2HB   GLU  10          HB1       GLU  10   3.626  -8.088   3.925
  881   1HG   GLU  10          HG2       GLU  10   5.715  -8.300   4.604
  882   2HG   GLU  10          HG1       GLU  10   5.467  -7.172   5.932
  883    H    ALA  11           HN       ALA  11   4.561  -5.761   7.199
  884    HA   ALA  11           HA       ALA  11   2.685  -6.299   9.195
  885   1HB   ALA  11          HB1       ALA  11   4.163  -5.331  10.674
  886   2HB   ALA  11          HB2       ALA  11   4.587  -4.030   9.562
  887   3HB   ALA  11          HB3       ALA  11   5.242  -5.647   9.315
  888    H    ALA  12           HN       ALA  12   3.212  -3.531   7.159
  889    HA   ALA  12           HA       ALA  12   1.415  -1.779   8.502
  890   1HB   ALA  12          HB1       ALA  12   3.251  -1.055   6.958
  891   2HB   ALA  12          HB2       ALA  12   1.683  -0.323   6.623
  892   3HB   ALA  12          HB3       ALA  12   2.271  -1.644   5.615
  893    H    ILE  13           HN       ILE  13   1.106  -4.277   6.107
  894    HA   ILE  13           HA       ILE  13  -1.321  -3.634   4.959
  895    HB   ILE  13           HB       ILE  13   0.335  -5.674   4.584
  896   1HG1  ILE  13          HG12      ILE  13  -1.424  -4.924   3.049
  897   2HG1  ILE  13          HG11      ILE  13  -1.338  -6.681   3.122
  898   1HG2  ILE  13          HG21      ILE  13  -0.260  -7.731   5.422
  899   2HG2  ILE  13          HG22      ILE  13  -1.908  -7.224   5.785
  900   3HG2  ILE  13          HG23      ILE  13  -0.579  -6.690   6.810
  901   1HD1  ILE  13          HD11      ILE  13  -3.387  -4.886   4.384
  902   2HD1  ILE  13          HD12      ILE  13  -3.244  -6.605   4.745
  903   3HD1  ILE  13          HD13      ILE  13  -3.625  -6.077   3.106
  904    H    GLU  14           HN       GLU  14  -0.561  -4.830   8.113
  905    HA   GLU  14           HA       GLU  14  -3.055  -5.826   8.907
  906   1HB   GLU  14          HB2       GLU  14  -0.817  -4.610  10.526
  907   2HB   GLU  14          HB1       GLU  14  -2.205  -5.434  11.225
  908   1HG   GLU  14          HG2       GLU  14  -1.571  -7.489  10.074
  909   2HG   GLU  14          HG1       GLU  14  -0.186  -6.663   9.360
  910    H    THR  15           HN       THR  15  -1.721  -2.517   9.073
  911    HA   THR  15           HA       THR  15  -3.843  -1.481  10.586
  912    HB   THR  15           HB       THR  15  -1.996  -0.044   8.691
  913    HG1  THR  15           HG1      THR  15  -0.862   0.443  10.675
  914   1HG2  THR  15          HG21      THR  15  -3.778   0.988  10.898
  915   2HG2  THR  15          HG22      THR  15  -3.925   1.323   9.173
  916   3HG2  THR  15          HG23      THR  15  -2.548   1.949  10.078
  917    H    VAL  16           HN       VAL  16  -3.032  -1.174   7.181
  918    HA   VAL  16           HA       VAL  16  -5.334   0.085   6.246
  919    HB   VAL  16           HB       VAL  16  -3.301  -0.160   4.912
  920   1HG1  VAL  16          HG11      VAL  16  -2.632  -2.356   5.691
  921   2HG1  VAL  16          HG12      VAL  16  -2.705  -2.326   3.929
  922   3HG1  VAL  16          HG13      VAL  16  -3.997  -3.092   4.853
  923   1HG2  VAL  16          HG21      VAL  16  -5.887  -1.161   3.848
  924   2HG2  VAL  16          HG22      VAL  16  -4.456  -1.377   2.842
  925   3HG2  VAL  16          HG23      VAL  16  -4.922   0.229   3.378
  926    H    VAL  17           HN       VAL  17  -4.702  -3.348   6.782
  927    HA   VAL  17           HA       VAL  17  -7.211  -4.097   5.613
  928    HB   VAL  17           HB       VAL  17  -5.192  -5.579   5.576
  929   1HG1  VAL  17          HG11      VAL  17  -5.930  -6.272   8.407
  930   2HG1  VAL  17          HG12      VAL  17  -4.638  -5.145   8.007
  931   3HG1  VAL  17          HG13      VAL  17  -4.538  -6.823   7.475
  932   1HG2  VAL  17          HG21      VAL  17  -7.377  -6.455   5.035
  933   2HG2  VAL  17          HG22      VAL  17  -7.735  -6.699   6.746
  934   3HG2  VAL  17          HG23      VAL  17  -6.474  -7.652   5.964
  935    H    SER  18           HN       SER  18  -5.912  -3.723   8.857
  936    HA   SER  18           HA       SER  18  -8.343  -4.622  10.099
  937   1HB   SER  18          HB2       SER  18  -5.896  -3.290  11.280
  938   2HB   SER  18          HB1       SER  18  -7.224  -3.976  12.215
  939    HG   SER  18           HG       SER  18  -5.658  -5.446  10.363
  940    H    THR  19           HN       THR  19  -7.360  -1.703   8.712
  941    HA   THR  19           HA       THR  19  -8.955  -0.067  10.481
  942    HB   THR  19           HB       THR  19  -8.386   1.821   8.943
  943    HG1  THR  19           HG1      THR  19  -7.251  -0.265   7.493
  944   1HG2  THR  19          HG21      THR  19  -5.822   1.587   9.501
  945   2HG2  THR  19          HG22      THR  19  -6.390   0.210  10.447
  946   3HG2  THR  19          HG23      THR  19  -7.020   1.824  10.770
  947    H    PHE  20           HN       PHE  20  -9.024   0.370   7.009
  948    HA   PHE  20           HA       PHE  20 -11.879   0.753   7.092
  949   1HB   PHE  20          HB2       PHE  20 -10.991   2.326   5.725
  950   2HB   PHE  20          HB1       PHE  20  -9.633   1.312   5.289
  951    HD1  PHE  20           HD1      PHE  20 -13.330   1.355   4.705
  952    HD2  PHE  20           HD2      PHE  20  -9.431   0.844   3.077
  953    HE1  PHE  20           HE1      PHE  20 -14.302   1.034   2.465
  954    HE2  PHE  20           HE2      PHE  20 -10.404   0.524   0.842
  955    HZ   PHE  20           HZ       PHE  20 -12.835   0.617   0.540
  956    H    PHE  21           HN       PHE  21  -9.677  -1.559   5.664
  957    HA   PHE  21           HA       PHE  21 -11.530  -2.889   4.131
  958   1HB   PHE  21          HB2       PHE  21  -9.039  -3.925   5.486
  959   2HB   PHE  21          HB1       PHE  21  -9.908  -4.794   4.246
  960    HD1  PHE  21           HD1      PHE  21 -10.301  -1.639   3.129
  961    HD2  PHE  21           HD2      PHE  21  -7.176  -4.454   3.766
  962    HE1  PHE  21           HE1      PHE  21  -8.916  -0.500   1.457
  963    HE2  PHE  21           HE2      PHE  21  -5.795  -3.305   2.118
  964    HZ   PHE  21           HZ       PHE  21  -6.663  -1.326   0.936
  965    H    THR  22           HN       THR  22 -11.264  -2.791   7.522
  966    HA   THR  22           HA       THR  22 -12.304  -5.272   8.237
  967    HB   THR  22           HB       THR  22 -13.088  -4.223  10.283
  968    HG1  THR  22           HG1      THR  22 -13.598  -2.160   8.876
  969   1HG2  THR  22          HG21      THR  22 -10.489  -3.029   9.378
  970   2HG2  THR  22          HG22      THR  22 -10.689  -4.684   9.957
  971   3HG2  THR  22          HG23      THR  22 -10.992  -3.327  11.044
  972    H    PHE  23           HN       PHE  23 -13.756  -2.639   6.597
  973    HA   PHE  23           HA       PHE  23 -16.429  -3.077   7.302
  974   1HB   PHE  23          HB2       PHE  23 -16.741  -1.240   6.083
  975   2HB   PHE  23          HB1       PHE  23 -15.003  -1.243   5.827
  976    HD1  PHE  23           HD1      PHE  23 -17.917  -3.015   4.191
  977    HD2  PHE  23           HD2      PHE  23 -14.426  -0.644   3.821
  978    HE1  PHE  23           HE1      PHE  23 -18.236  -2.937   1.773
  979    HE2  PHE  23           HE2      PHE  23 -14.725  -0.561   1.396
  980    HZ   PHE  23           HZ       PHE  23 -16.654  -1.688   0.385
  981    H    ALA  24           HN       ALA  24 -14.304  -4.975   5.477
  982    HA   ALA  24           HA       ALA  24 -15.734  -6.255   3.549
  983   1HB   ALA  24          HB1       ALA  24 -13.443  -6.825   4.961
  984   2HB   ALA  24          HB2       ALA  24 -14.127  -7.823   3.678
  985   3HB   ALA  24          HB3       ALA  24 -14.495  -8.181   5.365
  986    H    GLY  25           HN       GLY  25 -15.843  -7.016   6.994
  987   1HA   GLY  25          HA2       GLY  25 -17.607  -8.991   7.250
  988   2HA   GLY  25          HA1       GLY  25 -17.652  -7.597   8.319
  989    H    ARG  26           HN       ARG  26 -18.476  -5.787   6.059
  990    HA   ARG  26           HA       ARG  26 -21.171  -5.651   6.370
  991   1HB   ARG  26          HB2       ARG  26 -19.920  -3.974   5.105
  992   2HB   ARG  26          HB1       ARG  26 -19.658  -5.128   3.802
  993   1HG   ARG  26          HG2       ARG  26 -21.526  -4.411   2.854
  994   2HG   ARG  26          HG1       ARG  26 -22.431  -5.049   4.228
  995   1HD   ARG  26          HD2       ARG  26 -21.337  -2.279   3.845
  996   2HD   ARG  26          HD1       ARG  26 -23.023  -2.769   4.014
  997    HE   ARG  26           HE       ARG  26 -21.353  -3.393   6.285
  998   1HH1  ARG  26          HH11      ARG  26 -23.457  -1.046   4.800
  999   2HH1  ARG  26          HH12      ARG  26 -23.851  -0.265   6.295
 1000   1HH2  ARG  26          HH21      ARG  26 -21.864  -2.370   8.256
 1001   2HH2  ARG  26          HH22      ARG  26 -22.945  -1.016   8.259
 1002    H    GLU  27           HN       GLU  27 -19.462  -7.497   3.896
 1003    HA   GLU  27           HA       GLU  27 -21.881  -8.861   3.069
 1004   1HB   GLU  27          HB2       GLU  27 -18.979  -9.110   2.298
 1005   2HB   GLU  27          HB1       GLU  27 -20.183 -10.255   1.723
 1006   1HG   GLU  27          HG2       GLU  27 -20.332  -7.284   1.303
 1007   2HG   GLU  27          HG1       GLU  27 -19.678  -8.427   0.131
 1008    H    GLY  28           HN       GLY  28 -22.711 -10.559   4.047
 1009   1HA   GLY  28          HA2       GLY  28 -21.993 -11.729   6.357
 1010   2HA   GLY  28          HA1       GLY  28 -22.848 -12.608   5.105
 1011    H    ARG  29           HN       ARG  29 -21.456 -13.654   3.430
 1012    HA   ARG  29           HA       ARG  29 -19.839 -15.546   4.491
 1013   1HB   ARG  29          HB2       ARG  29 -20.618 -15.661   2.195
 1014   2HB   ARG  29          HB1       ARG  29 -19.588 -14.309   1.747
 1015   1HG   ARG  29          HG2       ARG  29 -17.607 -15.642   2.224
 1016   2HG   ARG  29          HG1       ARG  29 -18.628 -16.998   2.707
 1017   1HD   ARG  29          HD2       ARG  29 -18.522 -15.737  -0.031
 1018   2HD   ARG  29          HD1       ARG  29 -17.802 -17.280   0.431
 1019    HE   ARG  29           HE       ARG  29 -20.539 -17.346   1.035
 1020   1HH1  ARG  29          HH11      ARG  29 -18.417 -17.260  -1.723
 1021   2HH1  ARG  29          HH12      ARG  29 -19.523 -18.092  -2.765
 1022   1HH2  ARG  29          HH21      ARG  29 -22.006 -18.442  -0.328
 1023   2HH2  ARG  29          HH22      ARG  29 -21.566 -18.762  -1.972
 1024    H    LYS  30           HN       LYS  30 -17.513 -15.937   4.326
 1025    HA   LYS  30           HA       LYS  30 -16.010 -13.527   5.105
 1026   1HB   LYS  30          HB2       LYS  30 -15.256 -16.459   5.377
 1027   2HB   LYS  30          HB1       LYS  30 -14.371 -15.093   6.037
 1028   1HG   LYS  30          HG2       LYS  30 -15.554 -16.010   7.841
 1029   2HG   LYS  30          HG1       LYS  30 -16.442 -14.556   7.384
 1030   1HD   LYS  30          HD2       LYS  30 -18.144 -15.819   6.324
 1031   2HD   LYS  30          HD1       LYS  30 -17.178 -17.295   6.374
 1032   1HE   LYS  30          HE2       LYS  30 -18.945 -17.317   8.063
 1033   2HE   LYS  30          HE1       LYS  30 -17.346 -17.332   8.804
 1034   1HZ   LYS  30          HZ1       LYS  30 -19.091 -14.946   8.500
 1035   2HZ   LYS  30          HZ2       LYS  30 -17.555 -14.957   9.207
 1036   3HZ   LYS  30          HZ3       LYS  30 -18.826 -15.801   9.936
 1037    H    GLY  31           HN       GLY  31 -16.493 -13.603   2.445
 1038   1HA   GLY  31          HA2       GLY  31 -14.100 -14.744   1.142
 1039   2HA   GLY  31          HA1       GLY  31 -15.516 -14.086   0.321
 1040    H    SER  32           HN       SER  32 -15.824 -11.754   0.441
 1041    HA   SER  32           HA       SER  32 -13.388 -10.346   1.139
 1042   1HB   SER  32          HB2       SER  32 -13.274  -9.181  -1.022
 1043   2HB   SER  32          HB1       SER  32 -13.025 -10.915  -1.174
 1044    HG   SER  32           HG       SER  32 -15.602  -9.836  -1.485
 1045    H    LEU  33           HN       LEU  33 -13.627  -8.018   0.495
 1046    HA   LEU  33           HA       LEU  33 -16.023  -6.990   1.784
 1047   1HB   LEU  33          HB2       LEU  33 -14.019  -6.156   2.678
 1048   2HB   LEU  33          HB1       LEU  33 -13.326  -5.962   1.095
 1049    HG   LEU  33           HG       LEU  33 -15.655  -4.258   1.778
 1050   1HD1  LEU  33          HD11      LEU  33 -13.133  -4.302   3.267
 1051   2HD1  LEU  33          HD12      LEU  33 -14.694  -3.646   3.708
 1052   3HD1  LEU  33          HD13      LEU  33 -13.612  -2.724   2.665
 1053   1HD2  LEU  33          HD21      LEU  33 -13.044  -3.590   0.423
 1054   2HD2  LEU  33          HD22      LEU  33 -14.546  -2.681   0.377
 1055   3HD2  LEU  33          HD23      LEU  33 -14.436  -4.239  -0.434
 1056    H    ASN  34           HN       ASN  34 -17.163  -5.092   0.772
 1057    HA   ASN  34           HA       ASN  34 -16.832  -5.248  -2.121
 1058   1HB   ASN  34          HB2       ASN  34 -19.256  -4.997  -2.311
 1059   2HB   ASN  34          HB1       ASN  34 -18.875  -6.348  -1.252
 1060   1HD2  ASN  34          HD21      ASN  34 -18.897  -5.938   1.063
 1061   2HD2  ASN  34          HD22      ASN  34 -20.047  -4.814   1.690
 1062    H    ILE  35           HN       ILE  35 -19.033  -3.107  -1.935
 1063    HA   ILE  35           HA       ILE  35 -17.339  -0.867  -1.207
 1064    HB   ILE  35           HB       ILE  35 -18.676   0.237  -3.287
 1065   1HG1  ILE  35          HG12      ILE  35 -18.495  -1.230  -5.213
 1066   2HG1  ILE  35          HG11      ILE  35 -17.839  -2.519  -4.212
 1067   1HG2  ILE  35          HG21      ILE  35 -16.489   0.033  -4.495
 1068   2HG2  ILE  35          HG22      ILE  35 -15.950  -1.021  -3.187
 1069   3HG2  ILE  35          HG23      ILE  35 -16.390   0.651  -2.848
 1070   1HD1  ILE  35          HD11      ILE  35 -20.491  -2.125  -4.895
 1071   2HD1  ILE  35          HD12      ILE  35 -20.384  -1.601  -3.213
 1072   3HD1  ILE  35          HD13      ILE  35 -19.866  -3.224  -3.666
 1073    H    ASN  36           HN       ASN  36 -19.588  -2.117   0.127
 1074    HA   ASN  36           HA       ASN  36 -21.746  -0.212  -0.111
 1075   1HB   ASN  36          HB2       ASN  36 -22.323  -2.512   0.407
 1076   2HB   ASN  36          HB1       ASN  36 -21.304  -2.483   1.844
 1077   1HD2  ASN  36          HD21      ASN  36 -24.117  -3.078   1.632
 1078   2HD2  ASN  36          HD22      ASN  36 -24.945  -1.925   2.616
 1079    H    GLU  37           HN       GLU  37 -19.718  -1.257   2.683
 1080    HA   GLU  37           HA       GLU  37 -20.188   1.285   3.894
 1081   1HB   GLU  37          HB2       GLU  37 -17.810  -0.348   4.569
 1082   2HB   GLU  37          HB1       GLU  37 -18.772   0.660   5.618
 1083   1HG   GLU  37          HG2       GLU  37 -20.651  -0.939   5.275
 1084   2HG   GLU  37          HG1       GLU  37 -19.501  -2.023   4.482
 1085    H    PHE  38           HN       PHE  38 -17.947   0.164   1.484
 1086    HA   PHE  38           HA       PHE  38 -15.884   1.975   1.683
 1087   1HB   PHE  38          HB2       PHE  38 -16.231   0.149  -0.076
 1088   2HB   PHE  38          HB1       PHE  38 -17.272   1.280  -0.925
 1089    HD1  PHE  38           HD1      PHE  38 -15.863   3.775  -0.916
 1090    HD2  PHE  38           HD2      PHE  38 -14.304  -0.161  -1.222
 1091    HE1  PHE  38           HE1      PHE  38 -13.895   4.658  -2.086
 1092    HE2  PHE  38           HE2      PHE  38 -12.325   0.709  -2.394
 1093    HZ   PHE  38           HZ       PHE  38 -12.119   3.124  -2.829
 1094    H    LYS  39           HN       LYS  39 -19.178   2.276   0.627
 1095    HA   LYS  39           HA       LYS  39 -19.296   4.771  -0.535
 1096   1HB   LYS  39          HB2       LYS  39 -21.334   3.525   1.287
 1097   2HB   LYS  39          HB1       LYS  39 -21.647   4.753   0.065
 1098   1HG   LYS  39          HG2       LYS  39 -20.262   2.500  -1.027
 1099   2HG   LYS  39          HG1       LYS  39 -21.762   1.996  -0.250
 1100   1HD   LYS  39          HD2       LYS  39 -22.993   3.656  -1.541
 1101   2HD   LYS  39          HD1       LYS  39 -21.501   4.129  -2.362
 1102   1HE   LYS  39          HE2       LYS  39 -22.707   2.633  -3.790
 1103   2HE   LYS  39          HE1       LYS  39 -21.299   1.775  -3.162
 1104   1HZ   LYS  39          HZ1       LYS  39 -24.068   1.541  -2.110
 1105   2HZ   LYS  39          HZ2       LYS  39 -22.716   0.707  -1.528
 1106   3HZ   LYS  39          HZ3       LYS  39 -23.290   0.402  -3.090
 1107    H    GLU  40           HN       GLU  40 -18.708   3.969   2.738
 1108    HA   GLU  40           HA       GLU  40 -19.373   6.577   3.761
 1109   1HB   GLU  40          HB2       GLU  40 -19.137   5.687   5.860
 1110   2HB   GLU  40          HB1       GLU  40 -19.444   4.203   4.968
 1111   1HG   GLU  40          HG2       GLU  40 -17.142   3.607   5.018
 1112   2HG   GLU  40          HG1       GLU  40 -16.674   5.195   5.609
 1113    H    LEU  41           HN       LEU  41 -16.884   5.514   1.888
 1114    HA   LEU  41           HA       LEU  41 -14.698   6.710   3.316
 1115   1HB   LEU  41          HB2       LEU  41 -14.843   5.600   0.530
 1116   2HB   LEU  41          HB1       LEU  41 -13.374   6.120   1.322
 1117    HG   LEU  41           HG       LEU  41 -15.008   3.674   1.726
 1118   1HD1  LEU  41          HD11      LEU  41 -13.233   2.878   0.663
 1119   2HD1  LEU  41          HD12      LEU  41 -12.307   3.185   2.133
 1120   3HD1  LEU  41          HD13      LEU  41 -12.357   4.395   0.852
 1121   1HD2  LEU  41          HD21      LEU  41 -13.141   4.780   3.826
 1122   2HD2  LEU  41          HD22      LEU  41 -13.977   3.229   3.877
 1123   3HD2  LEU  41          HD23      LEU  41 -14.899   4.730   3.961
 1124    H    ALA  42           HN       ALA  42 -15.290   7.208  -0.127
 1125    HA   ALA  42           HA       ALA  42 -14.244   9.669  -0.445
 1126   1HB   ALA  42          HB1       ALA  42 -16.588   9.761  -1.971
 1127   2HB   ALA  42          HB2       ALA  42 -16.084   8.077  -1.896
 1128   3HB   ALA  42          HB3       ALA  42 -14.967   9.303  -2.486
 1129    H    THR  43           HN       THR  43 -17.376   8.908   0.822
 1130    HA   THR  43           HA       THR  43 -18.571  11.355   0.896
 1131    HB   THR  43           HB       THR  43 -19.592  10.437   3.132
 1132    HG1  THR  43           HG1      THR  43 -18.581   8.014   2.049
 1133   1HG2  THR  43          HG21      THR  43 -20.867  10.518   1.116
 1134   2HG2  THR  43          HG22      THR  43 -21.025   8.886   1.764
 1135   3HG2  THR  43          HG23      THR  43 -19.943   9.195   0.406
 1136    H    GLN  44           HN       GLN  44 -16.825   9.856   3.591
 1137    HA   GLN  44           HA       GLN  44 -16.481  12.378   4.962
 1138   1HB   GLN  44          HB2       GLN  44 -16.952  10.390   6.258
 1139   2HB   GLN  44          HB1       GLN  44 -15.564   9.555   5.558
 1140   1HG   GLN  44          HG2       GLN  44 -14.044  10.984   6.719
 1141   2HG   GLN  44          HG1       GLN  44 -15.352  12.041   7.250
 1142   1HE2  GLN  44          HE21      GLN  44 -13.772   8.978   7.705
 1143   2HE2  GLN  44          HE22      GLN  44 -14.502   8.598   9.223
 1144    H    GLN  45           HN       GLN  45 -14.358  10.057   3.279
 1145    HA   GLN  45           HA       GLN  45 -11.981  11.469   3.884
 1146   1HB   GLN  45          HB2       GLN  45 -10.887   9.971   2.487
 1147   2HB   GLN  45          HB1       GLN  45 -12.251   9.058   3.118
 1148   1HG   GLN  45          HG2       GLN  45 -13.057   8.687   1.105
 1149   2HG   GLN  45          HG1       GLN  45 -12.900  10.378   0.639
 1150   1HE2  GLN  45          HE21      GLN  45 -11.094   7.406   1.056
 1151   2HE2  GLN  45          HE22      GLN  45  -9.932   7.713  -0.184
 1152    H    LEU  46           HN       LEU  46 -14.547  12.113   1.676
 1153    HA   LEU  46           HA       LEU  46 -13.383  13.466  -0.331
 1154   1HB   LEU  46          HB2       LEU  46 -15.941  13.794   1.100
 1155   2HB   LEU  46          HB1       LEU  46 -15.370  15.251   0.327
 1156    HG   LEU  46           HG       LEU  46 -16.635  12.887  -0.841
 1157   1HD1  LEU  46          HD11      LEU  46 -17.250  14.527  -2.548
 1158   2HD1  LEU  46          HD12      LEU  46 -16.200  15.713  -1.773
 1159   3HD1  LEU  46          HD13      LEU  46 -17.608  15.089  -0.915
 1160   1HD2  LEU  46          HD21      LEU  46 -14.402  12.413  -1.686
 1161   2HD2  LEU  46          HD22      LEU  46 -14.243  14.077  -2.251
 1162   3HD2  LEU  46          HD23      LEU  46 -15.437  13.006  -2.985
 1163    HA   PRO  47           HA       PRO  47 -12.383  17.408   1.825
 1164   1HB   PRO  47          HB2       PRO  47 -13.322  17.320   4.612
 1165   2HB   PRO  47          HB1       PRO  47 -13.526  18.610   3.420
 1166   1HG   PRO  47          HG2       PRO  47 -15.590  17.102   4.246
 1167   2HG   PRO  47          HG1       PRO  47 -15.470  17.669   2.569
 1168   1HD   PRO  47          HD2       PRO  47 -14.819  14.973   3.711
 1169   2HD   PRO  47          HD1       PRO  47 -15.666  15.392   2.212
 1170    H    HIS  48           HN       HIS  48 -10.610  16.166   1.639
 1171    HA   HIS  48           HA       HIS  48  -9.303  15.244   4.060
 1172   1HB   HIS  48          HB2       HIS  48  -9.574  14.315   1.456
 1173   2HB   HIS  48          HB1       HIS  48  -7.870  14.814   1.595
 1174    HD1  HIS  48           HD1      HIS  48 -10.346  12.358   2.930
 1175    HD2  HIS  48           HD2      HIS  48  -6.327  13.275   3.403
 1176    HE1  HIS  48           HE1      HIS  48  -9.388  10.468   4.270
 1177    HE2  HIS  48           HE2      HIS  48  -6.976  11.092   4.633
 1178    H    LEU  49           HN       LEU  49  -6.666  15.600   2.873
 1179    HA   LEU  49           HA       LEU  49  -6.288  18.402   3.449
 1180   1HB   LEU  49          HB2       LEU  49  -4.361  16.190   2.721
 1181   2HB   LEU  49          HB1       LEU  49  -3.856  17.852   2.961
 1182    HG   LEU  49           HG       LEU  49  -4.658  17.749   5.291
 1183   1HD1  LEU  49          HD11      LEU  49  -5.208  15.527   6.242
 1184   2HD1  LEU  49          HD12      LEU  49  -5.259  14.879   4.603
 1185   3HD1  LEU  49          HD13      LEU  49  -6.410  16.120   5.096
 1186   1HD2  LEU  49          HD21      LEU  49  -2.729  15.564   4.515
 1187   2HD2  LEU  49          HD22      LEU  49  -2.910  16.246   6.132
 1188   3HD2  LEU  49          HD23      LEU  49  -2.329  17.257   4.809
 1189    H    LEU  50           HN       LEU  50  -4.612  16.676   0.869
 1190    HA   LEU  50           HA       LEU  50  -5.168  18.819  -1.005
 1191   1HB   LEU  50          HB2       LEU  50  -2.905  17.732  -0.704
 1192   2HB   LEU  50          HB1       LEU  50  -3.570  16.311  -1.487
 1193    HG   LEU  50           HG       LEU  50  -3.996  17.635  -3.523
 1194   1HD1  LEU  50          HD11      LEU  50  -4.311  19.815  -2.486
 1195   2HD1  LEU  50          HD12      LEU  50  -3.057  19.882  -3.725
 1196   3HD1  LEU  50          HD13      LEU  50  -2.610  19.850  -2.020
 1197   1HD2  LEU  50          HD21      LEU  50  -1.646  17.936  -4.181
 1198   2HD2  LEU  50          HD22      LEU  50  -1.915  16.411  -3.337
 1199   3HD2  LEU  50          HD23      LEU  50  -1.165  17.766  -2.492
 1200    H    LYS  51           HN       LYS  51  -7.304  16.839  -0.164
 1201    HA   LYS  51           HA       LYS  51  -8.007  14.889  -1.842
 1202   1HB   LYS  51          HB2       LYS  51  -9.374  15.592   0.028
 1203   2HB   LYS  51          HB1       LYS  51  -9.803  17.074  -0.807
 1204   1HG   LYS  51          HG2       LYS  51 -10.469  14.899  -2.459
 1205   2HG   LYS  51          HG1       LYS  51 -11.070  14.531  -0.885
 1206   1HD   LYS  51          HD2       LYS  51 -11.735  16.874  -2.650
 1207   2HD   LYS  51          HD1       LYS  51 -12.830  15.691  -1.939
 1208   1HE   LYS  51          HE2       LYS  51 -13.177  17.021  -0.199
 1209   2HE   LYS  51          HE1       LYS  51 -11.454  17.042   0.165
 1210   1HZ   LYS  51          HZ1       LYS  51 -11.313  18.817  -1.627
 1211   2HZ   LYS  51          HZ2       LYS  51 -12.035  19.262  -0.165
 1212   3HZ   LYS  51          HZ3       LYS  51 -12.998  18.925  -1.511
 1213    H    ASP  52           HN       ASP  52  -9.188  14.626  -3.726
 1214    HA   ASP  52           HA       ASP  52  -8.837  16.762  -5.688
 1215   1HB   ASP  52          HB2       ASP  52  -9.336  13.800  -6.011
 1216   2HB   ASP  52          HB1       ASP  52  -9.204  14.936  -7.352
 1217    H    VAL  53           HN       VAL  53 -11.352  15.307  -3.866
 1218    HA   VAL  53           HA       VAL  53 -13.538  15.803  -3.728
 1219    HB   VAL  53           HB       VAL  53 -13.021  17.509  -6.131
 1220   1HG1  VAL  53          HG11      VAL  53 -15.314  17.030  -6.291
 1221   2HG1  VAL  53          HG12      VAL  53 -15.247  18.565  -5.429
 1222   3HG1  VAL  53          HG13      VAL  53 -15.521  17.067  -4.540
 1223   1HG2  VAL  53          HG21      VAL  53 -11.904  18.244  -4.090
 1224   2HG2  VAL  53          HG22      VAL  53 -13.456  18.242  -3.254
 1225   3HG2  VAL  53          HG23      VAL  53 -13.172  19.369  -4.579
 1226    H    GLY  54           HN       GLY  54 -13.262  13.500  -4.308
 1227   1HA   GLY  54          HA2       GLY  54 -13.696  12.238  -6.647
 1228   2HA   GLY  54          HA1       GLY  54 -14.469  11.715  -5.168
 1229    H    SER  55           HN       SER  55 -14.924  12.864  -8.266
 1230    HA   SER  55           HA       SER  55 -17.346  14.233  -8.076
 1231   1HB   SER  55          HB2       SER  55 -15.781  13.895 -10.066
 1232   2HB   SER  55          HB1       SER  55 -16.625  12.366 -10.327
 1233    HG   SER  55           HG       SER  55 -18.092  14.751 -10.041
 1234    H    LEU  56           HN       LEU  56 -19.446  13.567  -7.898
 1235    HA   LEU  56           HA       LEU  56 -20.141  11.379  -6.473
 1236   1HB   LEU  56          HB2       LEU  56 -22.429  11.627  -7.322
 1237   2HB   LEU  56          HB1       LEU  56 -21.703  13.174  -6.930
 1238    HG   LEU  56           HG       LEU  56 -21.126  13.175  -9.516
 1239   1HD1  LEU  56          HD11      LEU  56 -23.571  11.420  -9.355
 1240   2HD1  LEU  56          HD12      LEU  56 -21.990  10.951  -9.974
 1241   3HD1  LEU  56          HD13      LEU  56 -22.941  12.168 -10.820
 1242   1HD2  LEU  56          HD21      LEU  56 -23.188  14.430  -9.903
 1243   2HD2  LEU  56          HD22      LEU  56 -22.456  14.855  -8.356
 1244   3HD2  LEU  56          HD23      LEU  56 -23.861  13.790  -8.404
 1245    H    ASP  57           HN       ASP  57 -19.497  11.428  -9.902
 1246    HA   ASP  57           HA       ASP  57 -20.533   8.782 -10.320
 1247   1HB   ASP  57          HB2       ASP  57 -19.171   8.999 -12.496
 1248   2HB   ASP  57          HB1       ASP  57 -20.631   9.975 -12.308
 1249    H    GLU  58           HN       GLU  58 -17.460  10.265  -9.938
 1250    HA   GLU  58           HA       GLU  58 -15.749   8.145 -10.483
 1251   1HB   GLU  58          HB2       GLU  58 -15.116  10.564  -9.948
 1252   2HB   GLU  58          HB1       GLU  58 -15.298  10.133  -8.246
 1253   1HG   GLU  58          HG2       GLU  58 -13.499   8.626  -8.329
 1254   2HG   GLU  58          HG1       GLU  58 -13.473   8.625 -10.092
 1255    H    LYS  59           HN       LYS  59 -17.619   8.996  -7.690
 1256    HA   LYS  59           HA       LYS  59 -16.619   6.927  -6.036
 1257   1HB   LYS  59          HB2       LYS  59 -18.971   8.784  -5.844
 1258   2HB   LYS  59          HB1       LYS  59 -18.641   7.562  -4.620
 1259   1HG   LYS  59          HG2       LYS  59 -17.161   8.893  -3.652
 1260   2HG   LYS  59          HG1       LYS  59 -16.247   9.024  -5.153
 1261   1HD   LYS  59          HD2       LYS  59 -16.830  11.232  -4.535
 1262   2HD   LYS  59          HD1       LYS  59 -17.904  10.789  -5.865
 1263   1HE   LYS  59          HE2       LYS  59 -19.682  10.268  -4.281
 1264   2HE   LYS  59          HE1       LYS  59 -18.615  10.666  -2.935
 1265   1HZ   LYS  59          HZ1       LYS  59 -19.537  12.553  -5.035
 1266   2HZ   LYS  59          HZ2       LYS  59 -18.498  12.941  -3.757
 1267   3HZ   LYS  59          HZ3       LYS  59 -20.099  12.492  -3.440
 1268    H    MET  60           HN       MET  60 -19.249   7.242  -8.299
 1269    HA   MET  60           HA       MET  60 -20.477   4.757  -7.440
 1270   1HB   MET  60          HB2       MET  60 -21.039   6.599  -9.770
 1271   2HB   MET  60          HB1       MET  60 -21.948   5.127  -9.455
 1272   1HG   MET  60          HG2       MET  60 -21.711   7.458  -7.565
 1273   2HG   MET  60          HG1       MET  60 -23.079   7.143  -8.632
 1274   1HE   MET  60          HE1       MET  60 -23.332   7.589  -5.479
 1275   2HE   MET  60          HE2       MET  60 -24.487   6.328  -5.052
 1276   3HE   MET  60          HE3       MET  60 -24.720   7.276  -6.520
 1277    H    LYS  61           HN       LYS  61 -18.154   5.794  -9.761
 1278    HA   LYS  61           HA       LYS  61 -18.291   3.409 -11.373
 1279   1HB   LYS  61          HB2       LYS  61 -17.680   5.274 -12.584
 1280   2HB   LYS  61          HB1       LYS  61 -16.570   5.860 -11.355
 1281   1HG   LYS  61          HG2       LYS  61 -15.119   3.883 -11.909
 1282   2HG   LYS  61          HG1       LYS  61 -16.177   3.594 -13.292
 1283   1HD   LYS  61          HD2       LYS  61 -15.692   5.869 -14.108
 1284   2HD   LYS  61          HD1       LYS  61 -14.588   6.104 -12.752
 1285   1HE   LYS  61          HE2       LYS  61 -13.363   5.507 -14.767
 1286   2HE   LYS  61          HE1       LYS  61 -13.218   4.240 -13.549
 1287   1HZ   LYS  61          HZ1       LYS  61 -14.897   2.967 -14.707
 1288   2HZ   LYS  61          HZ2       LYS  61 -13.628   3.339 -15.761
 1289   3HZ   LYS  61          HZ3       LYS  61 -15.085   4.192 -15.859
 1290    H    THR  62           HN       THR  62 -15.658   4.863  -9.454
 1291    HA   THR  62           HA       THR  62 -13.997   2.677  -9.357
 1292    HB   THR  62           HB       THR  62 -14.481   4.640  -7.109
 1293    HG1  THR  62           HG1      THR  62 -13.885   5.581  -9.144
 1294   1HG2  THR  62          HG21      THR  62 -12.205   4.093  -6.403
 1295   2HG2  THR  62          HG22      THR  62 -12.079   2.910  -7.705
 1296   3HG2  THR  62          HG23      THR  62 -13.224   2.654  -6.388
 1297    H    LEU  63           HN       LEU  63 -16.978   3.242  -7.725
 1298    HA   LEU  63           HA       LEU  63 -17.048   1.534  -5.614
 1299   1HB   LEU  63          HB2       LEU  63 -18.838   3.001  -6.421
 1300   2HB   LEU  63          HB1       LEU  63 -19.153   1.905  -7.746
 1301    HG   LEU  63           HG       LEU  63 -19.391   0.957  -4.924
 1302   1HD1  LEU  63          HD11      LEU  63 -21.864   1.545  -5.206
 1303   2HD1  LEU  63          HD12      LEU  63 -21.318   2.668  -6.452
 1304   3HD1  LEU  63          HD13      LEU  63 -20.753   2.850  -4.791
 1305   1HD2  LEU  63          HD21      LEU  63 -21.035  -0.553  -5.901
 1306   2HD2  LEU  63          HD22      LEU  63 -19.504  -0.684  -6.757
 1307   3HD2  LEU  63          HD23      LEU  63 -20.834   0.222  -7.469
 1308    H    ASP  64           HN       ASP  64 -18.075   0.607  -8.898
 1309    HA   ASP  64           HA       ASP  64 -18.043  -2.173  -8.343
 1310   1HB   ASP  64          HB2       ASP  64 -18.047  -0.671 -10.962
 1311   2HB   ASP  64          HB1       ASP  64 -18.288  -2.412 -10.813
 1312    H    VAL  65           HN       VAL  65 -15.569   0.063  -9.119
 1313    HA   VAL  65           HA       VAL  65 -13.765  -1.850 -10.298
 1314    HB   VAL  65           HB       VAL  65 -13.184   0.903  -9.187
 1315   1HG1  VAL  65          HG11      VAL  65 -11.166   0.802 -10.562
 1316   2HG1  VAL  65          HG12      VAL  65 -11.578  -0.841 -11.052
 1317   3HG1  VAL  65          HG13      VAL  65 -11.191  -0.495  -9.366
 1318   1HG2  VAL  65          HG21      VAL  65 -14.835   0.994 -10.978
 1319   2HG2  VAL  65          HG22      VAL  65 -13.774   0.042 -12.017
 1320   3HG2  VAL  65          HG23      VAL  65 -13.293   1.661 -11.513
 1321    H    ASN  66           HN       ASN  66 -13.423   0.164  -7.398
 1322    HA   ASN  66           HA       ASN  66 -11.685  -1.749  -6.119
 1323   1HB   ASN  66          HB2       ASN  66 -12.929   0.769  -4.998
 1324   2HB   ASN  66          HB1       ASN  66 -11.547  -0.122  -4.343
 1325   1HD2  ASN  66          HD21      ASN  66 -10.230   1.715  -4.469
 1326   2HD2  ASN  66          HD22      ASN  66  -9.603   2.283  -5.976
 1327    H    GLN  67           HN       GLN  67 -14.177  -2.968  -6.553
 1328    HA   GLN  67           HA       GLN  67 -15.864  -2.657  -4.293
 1329   1HB   GLN  67          HB2       GLN  67 -17.186  -4.360  -5.197
 1330   2HB   GLN  67          HB1       GLN  67 -16.527  -3.513  -6.582
 1331   1HG   GLN  67          HG2       GLN  67 -15.467  -6.112  -5.501
 1332   2HG   GLN  67          HG1       GLN  67 -16.596  -5.945  -6.840
 1333   1HE2  GLN  67          HE21      GLN  67 -13.682  -6.903  -6.510
 1334   2HE2  GLN  67          HE22      GLN  67 -12.862  -6.093  -7.797
 1335    H    ASP  68           HN       ASP  68 -13.548  -5.143  -5.238
 1336    HA   ASP  68           HA       ASP  68 -13.763  -6.359  -2.643
 1337   1HB   ASP  68          HB2       ASP  68 -12.352  -7.212  -5.148
 1338   2HB   ASP  68          HB1       ASP  68 -12.197  -8.055  -3.611
 1339    H    SER  69           HN       SER  69 -12.481  -3.669  -3.219
 1340    HA   SER  69           HA       SER  69  -9.800  -3.539  -3.171
 1341   1HB   SER  69          HB2       SER  69 -10.605  -1.423  -2.878
 1342   2HB   SER  69          HB1       SER  69 -11.943  -1.970  -1.870
 1343    HG   SER  69           HG       SER  69 -10.625  -0.837  -0.535
 1344    H    GLU  70           HN       GLU  70 -11.852  -4.699  -0.642
 1345    HA   GLU  70           HA       GLU  70  -9.475  -5.511   0.892
 1346   1HB   GLU  70          HB2       GLU  70 -10.676  -4.450   2.512
 1347   2HB   GLU  70          HB1       GLU  70 -12.180  -4.682   1.661
 1348   1HG   GLU  70          HG2       GLU  70 -12.286  -5.931   3.713
 1349   2HG   GLU  70          HG1       GLU  70 -12.186  -7.069   2.381
 1350    H    LEU  71           HN       LEU  71  -9.384  -7.709   1.547
 1351    HA   LEU  71           HA       LEU  71 -11.458  -9.383   0.440
 1352   1HB   LEU  71          HB2       LEU  71 -10.059  -9.175  -1.307
 1353   2HB   LEU  71          HB1       LEU  71  -8.628  -9.159  -0.321
 1354    HG   LEU  71           HG       LEU  71  -8.905 -11.065  -1.655
 1355   1HD1  LEU  71          HD11      LEU  71  -9.024 -12.555   0.696
 1356   2HD1  LEU  71          HD12      LEU  71  -8.126 -11.075   0.973
 1357   3HD1  LEU  71          HD13      LEU  71  -7.634 -12.183  -0.302
 1358   1HD2  LEU  71          HD21      LEU  71 -10.629 -12.712  -0.907
 1359   2HD2  LEU  71          HD22      LEU  71 -11.098 -11.398  -1.930
 1360   3HD2  LEU  71          HD23      LEU  71 -11.395 -11.314  -0.228
 1361    H    ARG  72           HN       ARG  72 -11.756 -11.355   1.383
 1362    HA   ARG  72           HA       ARG  72 -10.062 -12.056   3.663
 1363   1HB   ARG  72          HB2       ARG  72 -12.715 -13.343   3.281
 1364   2HB   ARG  72          HB1       ARG  72 -11.919 -12.848   4.766
 1365   1HG   ARG  72          HG2       ARG  72 -13.580 -11.229   2.878
 1366   2HG   ARG  72          HG1       ARG  72 -13.769 -11.449   4.615
 1367   1HD   ARG  72          HD2       ARG  72 -12.016  -9.603   3.091
 1368   2HD   ARG  72          HD1       ARG  72 -12.910  -9.350   4.590
 1369    HE   ARG  72           HE       ARG  72 -10.205 -10.263   4.351
 1370   1HH1  ARG  72          HH11      ARG  72 -13.058 -10.302   6.345
 1371   2HH1  ARG  72          HH12      ARG  72 -12.187 -10.585   7.815
 1372   1HH2  ARG  72          HH21      ARG  72  -9.045 -10.634   6.281
 1373   2HH2  ARG  72          HH22      ARG  72  -9.904 -10.771   7.778
 1374    H    PHE  73           HN       PHE  73 -11.486 -13.122   0.661
 1375    HA   PHE  73           HA       PHE  73 -10.170 -15.688   0.831
 1376   1HB   PHE  73          HB2       PHE  73 -11.626 -16.502  -0.817
 1377   2HB   PHE  73          HB1       PHE  73 -12.571 -15.444   0.187
 1378    HD1  PHE  73           HD1      PHE  73 -12.712 -12.922  -0.784
 1379    HD2  PHE  73           HD2      PHE  73 -12.078 -16.459  -3.043
 1380    HE1  PHE  73           HE1      PHE  73 -13.557 -11.776  -2.738
 1381    HE2  PHE  73           HE2      PHE  73 -12.953 -15.322  -5.039
 1382    HZ   PHE  73           HZ       PHE  73 -13.705 -12.981  -4.898
 1383    H    SER  74           HN       SER  74 -10.408 -13.931  -2.355
 1384    HA   SER  74           HA       SER  74  -7.497 -14.230  -2.444
 1385   1HB   SER  74          HB2       SER  74  -7.848 -14.619  -4.995
 1386   2HB   SER  74          HB1       SER  74  -8.001 -15.968  -3.871
 1387    HG   SER  74           HG       SER  74 -10.175 -14.394  -4.788
 1388    H    GLU  75           HN       GLU  75 -10.136 -12.278  -3.189
 1389    HA   GLU  75           HA       GLU  75  -9.082 -10.551  -5.100
 1390   1HB   GLU  75          HB2       GLU  75 -10.993  -9.885  -2.878
 1391   2HB   GLU  75          HB1       GLU  75 -10.809  -9.023  -4.393
 1392   1HG   GLU  75          HG2       GLU  75 -11.591 -11.886  -4.330
 1393   2HG   GLU  75          HG1       GLU  75 -12.780 -10.603  -4.117
 1394    H    TYR  76           HN       TYR  76  -7.213 -10.951  -2.587
 1395    HA   TYR  76           HA       TYR  76  -7.181  -8.495  -1.307
 1396   1HB   TYR  76          HB2       TYR  76  -5.552 -10.894  -1.250
 1397   2HB   TYR  76          HB1       TYR  76  -4.584  -9.441  -1.041
 1398    HD1  TYR  76           HD1      TYR  76  -4.907 -11.628   0.965
 1399    HD2  TYR  76           HD2      TYR  76  -7.091  -8.036   0.409
 1400    HE1  TYR  76           HE1      TYR  76  -5.615 -11.690   3.306
 1401    HE2  TYR  76           HE2      TYR  76  -7.800  -8.079   2.707
 1402    HH   TYR  76           HH       TYR  76  -8.062  -9.689   4.548
 1403    H    TRP  77           HN       TRP  77  -5.837  -9.649  -4.231
 1404    HA   TRP  77           HA       TRP  77  -3.876  -7.686  -4.747
 1405   1HB   TRP  77          HB2       TRP  77  -4.324  -8.096  -7.133
 1406   2HB   TRP  77          HB1       TRP  77  -4.288  -9.620  -6.254
 1407    HD1  TRP  77           HD1      TRP  77  -6.982  -7.055  -7.321
 1408    HE1  TRP  77           HE1      TRP  77  -9.066  -8.352  -8.038
 1409    HE3  TRP  77           HE3      TRP  77  -5.358 -11.800  -6.382
 1410    HZ2  TRP  77           HZ2      TRP  77  -9.938 -11.047  -8.181
 1411    HZ3  TRP  77           HZ3      TRP  77  -6.871 -13.681  -6.814
 1412    HH2  TRP  77           HH2      TRP  77  -9.112 -13.314  -7.694
 1413    H    ARG  78           HN       ARG  78  -7.318  -7.421  -4.447
 1414    HA   ARG  78           HA       ARG  78  -7.635  -5.103  -5.955
 1415   1HB   ARG  78          HB2       ARG  78  -9.240  -6.213  -3.666
 1416   2HB   ARG  78          HB1       ARG  78  -9.749  -4.814  -4.614
 1417   1HG   ARG  78          HG2       ARG  78  -9.041  -7.226  -6.139
 1418   2HG   ARG  78          HG1       ARG  78 -10.476  -7.329  -5.136
 1419   1HD   ARG  78          HD2       ARG  78 -10.820  -6.573  -7.521
 1420   2HD   ARG  78          HD1       ARG  78 -11.535  -5.561  -6.270
 1421    HE   ARG  78           HE       ARG  78  -9.237  -4.308  -6.628
 1422   1HH1  ARG  78          HH11      ARG  78 -11.449  -5.582  -9.017
 1423   2HH1  ARG  78          HH12      ARG  78 -11.008  -4.420 -10.219
 1424   1HH2  ARG  78          HH21      ARG  78  -8.662  -2.786  -8.214
 1425   2HH2  ARG  78          HH22      ARG  78  -9.428  -2.836  -9.766
 1426    H    LEU  79           HN       LEU  79  -6.433  -5.686  -2.739
 1427    HA   LEU  79           HA       LEU  79  -6.654  -2.974  -1.832
 1428   1HB   LEU  79          HB2       LEU  79  -4.468  -4.562  -0.711
 1429   2HB   LEU  79          HB1       LEU  79  -5.709  -3.666   0.118
 1430    HG   LEU  79           HG       LEU  79  -6.732  -6.167  -1.025
 1431   1HD1  LEU  79          HD11      LEU  79  -5.110  -7.570  -0.442
 1432   2HD1  LEU  79          HD12      LEU  79  -5.213  -7.001   1.218
 1433   3HD1  LEU  79          HD13      LEU  79  -4.111  -6.233   0.092
 1434   1HD2  LEU  79          HD21      LEU  79  -6.501  -5.388   1.866
 1435   2HD2  LEU  79          HD22      LEU  79  -7.751  -6.346   1.075
 1436   3HD2  LEU  79          HD23      LEU  79  -7.670  -4.607   0.811
 1437    H    ILE  80           HN       ILE  80  -4.530  -4.772  -3.819
 1438    HA   ILE  80           HA       ILE  80  -2.100  -3.653  -3.574
 1439    HB   ILE  80           HB       ILE  80  -3.107  -5.396  -5.300
 1440   1HG1  ILE  80          HG12      ILE  80  -0.746  -3.590  -5.913
 1441   2HG1  ILE  80          HG11      ILE  80  -0.727  -5.028  -4.897
 1442   1HG2  ILE  80          HG21      ILE  80  -2.983  -2.880  -6.981
 1443   2HG2  ILE  80          HG22      ILE  80  -4.430  -3.808  -6.597
 1444   3HG2  ILE  80          HG23      ILE  80  -3.166  -4.522  -7.594
 1445   1HD1  ILE  80          HD11      ILE  80  -1.315  -6.386  -6.862
 1446   2HD1  ILE  80          HD12      ILE  80   0.214  -5.527  -7.052
 1447   3HD1  ILE  80          HD13      ILE  80  -1.237  -4.932  -7.860
 1448    H    GLY  81           HN       GLY  81  -4.707  -2.219  -5.577
 1449   1HA   GLY  81          HA2       GLY  81  -3.156   0.200  -5.945
 1450   2HA   GLY  81          HA1       GLY  81  -4.766  -0.113  -6.571
 1451    H    GLU  82           HN       GLU  82  -4.997  -0.913  -3.401
 1452    HA   GLU  82           HA       GLU  82  -6.393   1.516  -2.770
 1453   1HB   GLU  82          HB2       GLU  82  -5.877  -0.933  -1.167
 1454   2HB   GLU  82          HB1       GLU  82  -6.981   0.350  -0.703
 1455   1HG   GLU  82          HG2       GLU  82  -7.238  -1.397  -3.132
 1456   2HG   GLU  82          HG1       GLU  82  -8.168  -1.559  -1.649
 1457    H    LEU  83           HN       LEU  83  -3.864  -0.373  -1.187
 1458    HA   LEU  83           HA       LEU  83  -3.215   1.387   0.835
 1459   1HB   LEU  83          HB2       LEU  83  -1.566  -0.615  -0.693
 1460   2HB   LEU  83          HB1       LEU  83  -0.881   0.334   0.621
 1461    HG   LEU  83           HG       LEU  83  -2.708  -0.610   2.102
 1462   1HD1  LEU  83          HD11      LEU  83  -3.082  -2.369  -0.311
 1463   2HD1  LEU  83          HD12      LEU  83  -4.285  -1.346   0.475
 1464   3HD1  LEU  83          HD13      LEU  83  -3.664  -2.773   1.304
 1465   1HD2  LEU  83          HD21      LEU  83  -0.707  -2.502   0.873
 1466   2HD2  LEU  83          HD22      LEU  83  -1.545  -2.755   2.404
 1467   3HD2  LEU  83          HD23      LEU  83  -0.423  -1.405   2.224
 1468    H    ALA  84           HN       ALA  84  -2.563   1.500  -2.545
 1469    HA   ALA  84           HA       ALA  84  -0.504   3.477  -2.307
 1470   1HB   ALA  84          HB1       ALA  84  -0.880   3.770  -4.769
 1471   2HB   ALA  84          HB2       ALA  84  -2.132   2.536  -4.640
 1472   3HB   ALA  84          HB3       ALA  84  -0.457   2.138  -4.256
 1473    H    LYS  85           HN       LYS  85  -3.964   3.506  -2.648
 1474    HA   LYS  85           HA       LYS  85  -4.522   6.055  -3.503
 1475   1HB   LYS  85          HB2       LYS  85  -5.913   4.615  -1.268
 1476   2HB   LYS  85          HB1       LYS  85  -6.590   5.914  -2.237
 1477   1HG   LYS  85          HG2       LYS  85  -6.464   4.512  -4.223
 1478   2HG   LYS  85          HG1       LYS  85  -5.764   3.212  -3.266
 1479   1HD   LYS  85          HD2       LYS  85  -8.526   4.371  -3.071
 1480   2HD   LYS  85          HD1       LYS  85  -8.084   2.734  -3.540
 1481   1HE   LYS  85          HE2       LYS  85  -7.262   2.306  -1.275
 1482   2HE   LYS  85          HE1       LYS  85  -7.671   3.950  -0.810
 1483   1HZ   LYS  85          HZ1       LYS  85  -9.719   3.296  -0.360
 1484   2HZ   LYS  85          HZ2       LYS  85  -9.302   1.701  -0.740
 1485   3HZ   LYS  85          HZ3       LYS  85  -9.932   2.717  -1.935
 1486    H    GLU  86           HN       GLU  86  -3.081   5.101  -0.548
 1487    HA   GLU  86           HA       GLU  86  -3.419   7.693   0.665
 1488   1HB   GLU  86          HB2       GLU  86  -1.526   5.552   1.571
 1489   2HB   GLU  86          HB1       GLU  86  -2.326   6.788   2.535
 1490   1HG   GLU  86          HG2       GLU  86  -3.600   4.414   1.223
 1491   2HG   GLU  86          HG1       GLU  86  -3.345   4.669   2.939
 1492    H    VAL  87           HN       VAL  87  -0.844   5.765  -0.731
 1493    HA   VAL  87           HA       VAL  87   1.165   7.748  -0.409
 1494    HB   VAL  87           HB       VAL  87   1.128   5.175  -1.978
 1495   1HG1  VAL  87          HG11      VAL  87   3.602   5.453  -2.041
 1496   2HG1  VAL  87          HG12      VAL  87   3.374   7.118  -1.517
 1497   3HG1  VAL  87          HG13      VAL  87   2.714   6.579  -3.059
 1498   1HG2  VAL  87          HG21      VAL  87   0.995   4.820   0.385
 1499   2HG2  VAL  87          HG22      VAL  87   2.305   5.963   0.679
 1500   3HG2  VAL  87          HG23      VAL  87   2.633   4.438  -0.144
 1501    H    ARG  88           HN       ARG  88  -1.370   7.583  -2.572
 1502    HA   ARG  88           HA       ARG  88  -0.042   8.389  -4.955
 1503   1HB   ARG  88          HB2       ARG  88  -2.356   7.327  -4.714
 1504   2HB   ARG  88          HB1       ARG  88  -2.927   8.942  -4.303
 1505   1HG   ARG  88          HG2       ARG  88  -2.138   9.776  -6.460
 1506   2HG   ARG  88          HG1       ARG  88  -1.563   8.161  -6.872
 1507   1HD   ARG  88          HD2       ARG  88  -3.694   8.527  -7.923
 1508   2HD   ARG  88          HD1       ARG  88  -3.881   7.324  -6.648
 1509    HE   ARG  88           HE       ARG  88  -4.493   9.716  -5.463
 1510   1HH1  ARG  88          HH11      ARG  88  -5.660   7.922  -8.210
 1511   2HH1  ARG  88          HH12      ARG  88  -7.275   8.538  -8.089
 1512   1HH2  ARG  88          HH21      ARG  88  -6.615  10.535  -5.295
 1513   2HH2  ARG  88          HH22      ARG  88  -7.818  10.024  -6.431
 1514    H    LYS  89           HN       LYS  89  -2.315  10.342  -3.000
 1515    HA   LYS  89           HA       LYS  89  -1.352  12.783  -4.104
 1516   1HB   LYS  89          HB2       LYS  89  -2.800  13.896  -2.581
 1517   2HB   LYS  89          HB1       LYS  89  -3.635  12.441  -3.096
 1518   1HG   LYS  89          HG2       LYS  89  -2.163  11.787  -0.735
 1519   2HG   LYS  89          HG1       LYS  89  -3.037  13.310  -0.460
 1520   1HD   LYS  89          HD2       LYS  89  -4.568  11.674   0.145
 1521   2HD   LYS  89          HD1       LYS  89  -5.036  12.081  -1.505
 1522   1HE   LYS  89          HE2       LYS  89  -3.044   9.967  -1.253
 1523   2HE   LYS  89          HE1       LYS  89  -4.634   9.588  -0.595
 1524   1HZ   LYS  89          HZ1       LYS  89  -5.639  10.037  -2.693
 1525   2HZ   LYS  89          HZ2       LYS  89  -4.345   8.984  -2.968
 1526   3HZ   LYS  89          HZ3       LYS  89  -4.194  10.624  -3.342
 1527    H    GLU  90           HN       GLU  90  -0.537  10.846  -1.371
 1528    HA   GLU  90           HA       GLU  90   0.870  12.752   0.128
 1529   1HB   GLU  90          HB2       GLU  90   0.800   9.769   0.007
 1530   2HB   GLU  90          HB1       GLU  90   1.972  10.583   1.043
 1531   1HG   GLU  90          HG2       GLU  90  -1.012  11.016   1.127
 1532   2HG   GLU  90          HG1       GLU  90  -0.103   9.946   2.216
 1533    H    LYS  91           HN       LYS  91   1.617  11.382  -2.869
 1534    HA   LYS  91           HA       LYS  91   4.413  11.193  -2.645
 1535   1HB   LYS  91          HB2       LYS  91   4.474  10.980  -4.967
 1536   2HB   LYS  91          HB1       LYS  91   2.955  10.244  -4.488
 1537   1HG   LYS  91          HG2       LYS  91   1.780  12.310  -5.134
 1538   2HG   LYS  91          HG1       LYS  91   3.316  12.993  -5.664
 1539   1HD   LYS  91          HD2       LYS  91   3.555  11.277  -7.342
 1540   2HD   LYS  91          HD1       LYS  91   2.105  10.456  -6.757
 1541   1HE   LYS  91          HE2       LYS  91   1.696  11.791  -8.794
 1542   2HE   LYS  91          HE1       LYS  91   0.728  12.323  -7.420
 1543   1HZ   LYS  91          HZ1       LYS  91   1.669  14.195  -8.617
 1544   2HZ   LYS  91          HZ2       LYS  91   3.235  13.605  -8.367
 1545   3HZ   LYS  91          HZ3       LYS  91   2.304  14.116  -7.050
 1546    H    ALA  92           HN       ALA  92   2.298  13.758  -3.843
 1547    HA   ALA  92           HA       ALA  92   4.505  15.595  -4.155
 1548   1HB   ALA  92          HB1       ALA  92   2.839  17.196  -4.881
 1549   2HB   ALA  92          HB2       ALA  92   1.544  16.133  -4.331
 1550   3HB   ALA  92          HB3       ALA  92   2.573  15.645  -5.678
 1551    H    LEU  93           HN       LEU  93   2.037  14.973  -1.744
 1552    HA   LEU  93           HA       LEU  93   2.629  17.395  -0.298
 1553   1HB   LEU  93          HB2       LEU  93   0.392  16.276  -0.250
 1554   2HB   LEU  93          HB1       LEU  93   1.125  14.971   0.671
 1555    HG   LEU  93           HG       LEU  93   1.530  17.685   1.760
 1556   1HD1  LEU  93          HD11      LEU  93  -1.179  16.358   1.772
 1557   2HD1  LEU  93          HD12      LEU  93  -0.767  17.909   1.044
 1558   3HD1  LEU  93          HD13      LEU  93  -0.710  17.716   2.796
 1559   1HD2  LEU  93          HD21      LEU  93   2.352  15.708   2.906
 1560   2HD2  LEU  93          HD22      LEU  93   0.722  15.038   2.958
 1561   3HD2  LEU  93          HD23      LEU  93   1.103  16.502   3.864
 1562    H    GLY  94           HN       GLY  94   3.844  14.178  -0.440
 1563   1HA   GLY  94          HA2       GLY  94   4.912  13.649   2.017
 1564   2HA   GLY  94          HA1       GLY  94   5.739  13.286   0.497
 1565    H    ILE  95           HN       ILE  95   5.854  16.119  -0.206
 1566    HA   ILE  95           HA       ILE  95   8.432  16.608   0.741
 1567    HB   ILE  95           HB       ILE  95   8.261  18.759  -0.402
 1568   1HG1  ILE  95          HG12      ILE  95   5.358  17.984  -0.575
 1569   2HG1  ILE  95          HG11      ILE  95   6.047  19.500  -0.020
 1570   1HG2  ILE  95          HG21      ILE  95   8.938  16.920  -1.664
 1571   2HG2  ILE  95          HG22      ILE  95   7.761  17.789  -2.649
 1572   3HG2  ILE  95          HG23      ILE  95   7.288  16.313  -1.806
 1573   1HD1  ILE  95          HD11      ILE  95   4.960  19.758  -2.172
 1574   2HD1  ILE  95          HD12      ILE  95   6.018  18.529  -2.866
 1575   3HD1  ILE  95          HD13      ILE  95   6.693  20.056  -2.299
 1576    H    ARG  96           HN       ARG  96   7.635  16.361   3.098
 1577    HA   ARG  96           HA       ARG  96   6.409  18.454   4.448
 1578   1HB   ARG  96          HB2       ARG  96   8.684  16.673   5.355
 1579   2HB   ARG  96          HB1       ARG  96   7.763  17.723   6.425
 1580   1HG   ARG  96          HG2       ARG  96   6.603  15.469   4.798
 1581   2HG   ARG  96          HG1       ARG  96   7.026  15.378   6.510
 1582   1HD   ARG  96          HD2       ARG  96   5.028  17.303   5.322
 1583   2HD   ARG  96          HD1       ARG  96   4.615  15.785   6.118
 1584    HE   ARG  96           HE       ARG  96   6.161  17.208   7.913
 1585   1HH1  ARG  96          HH11      ARG  96   3.125  17.635   6.259
 1586   2HH1  ARG  96          HH12      ARG  96   2.422  18.586   7.523
 1587   1HH2  ARG  96          HH21      ARG  96   5.244  18.456   9.585
 1588   2HH2  ARG  96          HH22      ARG  96   3.627  19.053   9.415
 1589    H    LYS  97           HN       LYS  97   9.492  18.238   2.908
 1590    HA   LYS  97           HA       LYS  97  10.540  20.611   4.152
 1591   1HB   LYS  97          HB2       LYS  97  11.916  19.747   1.732
 1592   2HB   LYS  97          HB1       LYS  97  12.553  19.989   3.349
 1593   1HG   LYS  97          HG2       LYS  97  11.162  17.515   2.337
 1594   2HG   LYS  97          HG1       LYS  97  12.893  17.708   2.615
 1595   1HD   LYS  97          HD2       LYS  97  12.678  17.638   4.892
 1596   2HD   LYS  97          HD1       LYS  97  11.020  18.248   4.866
 1597   1HE   LYS  97          HE2       LYS  97  10.191  16.137   4.096
 1598   2HE   LYS  97          HE1       LYS  97  11.830  15.519   3.878
 1599   1HZ   LYS  97          HZ1       LYS  97  12.160  15.710   6.283
 1600   2HZ   LYS  97          HZ2       LYS  97  10.884  14.665   5.908
 1601   3HZ   LYS  97          HZ3       LYS  97  10.558  16.227   6.467
 1602    H    LYS  98           HN       LYS  98   8.880  22.085   3.568
 1603    HA   LYS  98           HA       LYS  98   8.834  22.785   0.709
 1604   1HB   LYS  98          HB2       LYS  98   6.821  23.572   2.819
 1605   2HB   LYS  98          HB1       LYS  98   6.678  23.804   1.085
 1606   1HG   LYS  98          HG2       LYS  98   6.906  21.185   1.033
 1607   2HG   LYS  98          HG1       LYS  98   6.361  21.328   2.703
 1608   1HD   LYS  98          HD2       LYS  98   4.360  21.098   1.581
 1609   2HD   LYS  98          HD1       LYS  98   4.511  22.853   1.675
 1610   1HE   LYS  98          HE2       LYS  98   5.352  21.176  -0.686
 1611   2HE   LYS  98          HE1       LYS  98   3.817  22.034  -0.563
 1612   1HZ   LYS  98          HZ1       LYS  98   6.540  23.180  -0.738
 1613   2HZ   LYS  98          HZ2       LYS  98   5.210  24.097  -0.239
 1614   3HZ   LYS  98          HZ3       LYS  98   5.236  23.418  -1.787
  Start of MODEL   11
    1   1H    MET   1          HT1       MET   1 -18.576   3.549  -2.859
    2   2H    MET   1          HT2       MET   1 -19.592   4.417  -1.824
    3   3H    MET   1          HT3       MET   1 -18.121   3.808  -1.249
    4    HA   MET   1           HA       MET   1 -18.594   6.038  -3.108
    5   1HB   MET   1          HB2       MET   1 -17.449   5.696  -0.381
    6   2HB   MET   1          HB1       MET   1 -16.674   6.864  -1.425
    7   1HG   MET   1          HG2       MET   1 -18.553   7.645   0.170
    8   2HG   MET   1          HG1       MET   1 -18.495   8.271  -1.472
    9   1HE   MET   1          HE1       MET   1 -21.435   8.397   0.272
   10   2HE   MET   1          HE2       MET   1 -22.255   8.279  -1.284
   11   3HE   MET   1          HE3       MET   1 -20.749   9.186  -1.148
   12    H    ALA   2           HN       ALA   2 -16.154   7.131  -3.258
   13    HA   ALA   2           HA       ALA   2 -14.584   5.043  -4.590
   14   1HB   ALA   2          HB1       ALA   2 -13.658   6.937  -5.973
   15   2HB   ALA   2          HB2       ALA   2 -14.914   7.950  -5.262
   16   3HB   ALA   2          HB3       ALA   2 -15.356   6.549  -6.237
   17    H    ALA   3           HN       ALA   3 -12.301   5.121  -4.535
   18    HA   ALA   3           HA       ALA   3 -11.245   5.965  -2.018
   19   1HB   ALA   3          HB1       ALA   3  -9.778   4.938  -4.450
   20   2HB   ALA   3          HB2       ALA   3 -10.435   3.938  -3.154
   21   3HB   ALA   3          HB3       ALA   3  -9.125   5.070  -2.817
   22    H    GLU   4           HN       GLU   4 -11.732   8.179  -2.109
   23    HA   GLU   4           HA       GLU   4 -10.704   9.917  -4.111
   24   1HB   GLU   4          HB2       GLU   4 -11.539  10.763  -1.352
   25   2HB   GLU   4          HB1       GLU   4 -11.675  11.653  -2.864
   26   1HG   GLU   4          HG2       GLU   4 -13.276   9.261  -2.010
   27   2HG   GLU   4          HG1       GLU   4 -13.847  10.911  -2.190
   28    H    THR   5           HN       THR   5  -9.828  11.568  -1.348
   29    HA   THR   5           HA       THR   5  -7.112  11.391  -2.066
   30    HB   THR   5           HB       THR   5  -8.167  12.585   0.481
   31    HG1  THR   5           HG1      THR   5  -9.357  13.524  -1.114
   32   1HG2  THR   5          HG21      THR   5  -6.224  13.933   0.427
   33   2HG2  THR   5          HG22      THR   5  -5.857  13.476  -1.235
   34   3HG2  THR   5          HG23      THR   5  -5.657  12.300   0.066
   35    H    LEU   6           HN       LEU   6  -6.864  11.430   1.280
   36    HA   LEU   6           HA       LEU   6  -5.443   8.945   1.216
   37   1HB   LEU   6          HB2       LEU   6  -5.939  10.891   3.466
   38   2HB   LEU   6          HB1       LEU   6  -4.854   9.530   3.531
   39    HG   LEU   6           HG       LEU   6  -3.893  10.860   1.357
   40   1HD1  LEU   6          HD11      LEU   6  -5.567  12.691   1.988
   41   2HD1  LEU   6          HD12      LEU   6  -3.895  13.169   1.705
   42   3HD1  LEU   6          HD13      LEU   6  -4.501  13.012   3.354
   43   1HD2  LEU   6          HD21      LEU   6  -2.092  11.577   2.836
   44   2HD2  LEU   6          HD22      LEU   6  -2.590   9.924   3.197
   45   3HD2  LEU   6          HD23      LEU   6  -3.107  11.248   4.241
   46    H    THR   7           HN       THR   7  -7.020   7.315   1.000
   47    HA   THR   7           HA       THR   7  -9.299   7.160   2.646
   48    HB   THR   7           HB       THR   7  -8.409   4.507   2.035
   49    HG1  THR   7           HG1      THR   7  -7.233   4.993   0.313
   50   1HG2  THR   7          HG21      THR   7 -10.756   5.495   2.205
   51   2HG2  THR   7          HG22      THR   7 -10.460   4.328   0.917
   52   3HG2  THR   7          HG23      THR   7 -10.512   6.053   0.547
   53    H    GLU   8           HN       GLU   8  -9.611   5.293   4.216
   54    HA   GLU   8           HA       GLU   8  -8.277   5.695   6.538
   55   1HB   GLU   8          HB2       GLU   8  -9.169   2.939   5.737
   56   2HB   GLU   8          HB1       GLU   8  -9.027   3.600   7.356
   57   1HG   GLU   8          HG2       GLU   8 -11.028   4.388   5.263
   58   2HG   GLU   8          HG1       GLU   8 -11.333   3.482   6.746
   59    H    LEU   9           HN       LEU   9  -7.133   3.814   3.851
   60    HA   LEU   9           HA       LEU   9  -5.183   2.272   5.100
   61   1HB   LEU   9          HB2       LEU   9  -4.952   3.475   2.372
   62   2HB   LEU   9          HB1       LEU   9  -4.301   1.943   2.922
   63    HG   LEU   9           HG       LEU   9  -7.073   2.660   2.089
   64   1HD1  LEU   9          HD11      LEU   9  -6.714   0.184   1.246
   65   2HD1  LEU   9          HD12      LEU   9  -5.018   0.636   1.424
   66   3HD1  LEU   9          HD13      LEU   9  -6.076   1.578   0.377
   67   1HD2  LEU   9          HD21      LEU   9  -7.420   0.176   3.156
   68   2HD2  LEU   9          HD22      LEU   9  -7.948   1.688   3.890
   69   3HD2  LEU   9          HD23      LEU   9  -6.421   0.963   4.375
   70    H    GLU  10           HN       GLU  10  -5.157   5.682   4.288
   71    HA   GLU  10           HA       GLU  10  -2.428   6.184   4.158
   72   1HB   GLU  10          HB2       GLU  10  -3.075   8.416   5.296
   73   2HB   GLU  10          HB1       GLU  10  -3.746   8.029   3.715
   74   1HG   GLU  10          HG2       GLU  10  -5.797   8.146   4.473
   75   2HG   GLU  10          HG1       GLU  10  -5.442   7.017   5.779
   76    H    ALA  11           HN       ALA  11  -4.518   5.590   6.924
   77    HA   ALA  11           HA       ALA  11  -2.750   6.234   8.997
   78   1HB   ALA  11          HB1       ALA  11  -4.725   3.951   9.020
   79   2HB   ALA  11          HB2       ALA  11  -5.177   5.635   9.256
   80   3HB   ALA  11          HB3       ALA  11  -4.104   4.844  10.408
   81    H    ALA  12           HN       ALA  12  -3.130   3.377   7.006
   82    HA   ALA  12           HA       ALA  12  -1.276   1.736   8.348
   83   1HB   ALA  12          HB1       ALA  12  -2.932   0.910   6.699
   84   2HB   ALA  12          HB2       ALA  12  -1.290   0.366   6.359
   85   3HB   ALA  12          HB3       ALA  12  -1.995   1.680   5.418
   86    H    ILE  13           HN       ILE  13  -0.957   4.380   6.127
   87    HA   ILE  13           HA       ILE  13   1.561   3.944   5.101
   88    HB   ILE  13           HB       ILE  13  -0.181   5.954   4.811
   89   1HG1  ILE  13          HG12      ILE  13   1.696   5.289   3.321
   90   2HG1  ILE  13          HG11      ILE  13   1.451   7.031   3.400
   91   1HG2  ILE  13          HG21      ILE  13   2.026   7.351   6.294
   92   2HG2  ILE  13          HG22      ILE  13   0.508   6.901   7.069
   93   3HG2  ILE  13          HG23      ILE  13   0.503   8.018   5.704
   94   1HD1  ILE  13          HD11      ILE  13   3.795   6.559   3.447
   95   2HD1  ILE  13          HD12      ILE  13   3.589   5.434   4.791
   96   3HD1  ILE  13          HD13      ILE  13   3.310   7.158   5.033
   97    H    GLU  14           HN       GLU  14   0.547   4.828   8.285
   98    HA   GLU  14           HA       GLU  14   2.975   5.820   9.311
   99   1HB   GLU  14          HB2       GLU  14   0.721   4.431  10.769
  100   2HB   GLU  14          HB1       GLU  14   1.986   5.397  11.517
  101   1HG   GLU  14          HG2       GLU  14  -0.092   6.392   9.581
  102   2HG   GLU  14          HG1       GLU  14  -0.083   6.650  11.325
  103    H    THR  15           HN       THR  15   1.671   2.540   9.022
  104    HA   THR  15           HA       THR  15   3.770   1.366  10.605
  105    HB   THR  15           HB       THR  15   1.968   0.022   8.586
  106    HG1  THR  15           HG1      THR  15   0.853  -0.596  10.617
  107   1HG2  THR  15          HG21      THR  15   3.605  -1.102  10.858
  108   2HG2  THR  15          HG22      THR  15   3.929  -1.311   9.137
  109   3HG2  THR  15          HG23      THR  15   2.483  -2.022   9.857
  110    H    VAL  16           HN       VAL  16   2.998   1.198   7.152
  111    HA   VAL  16           HA       VAL  16   5.336   0.011   6.252
  112    HB   VAL  16           HB       VAL  16   3.356   0.210   4.870
  113   1HG1  VAL  16          HG11      VAL  16   2.610   2.394   5.634
  114   2HG1  VAL  16          HG12      VAL  16   2.721   2.351   3.875
  115   3HG1  VAL  16          HG13      VAL  16   3.971   3.164   4.817
  116   1HG2  VAL  16          HG21      VAL  16   6.003   1.062   3.970
  117   2HG2  VAL  16          HG22      VAL  16   4.701   1.610   2.917
  118   3HG2  VAL  16          HG23      VAL  16   4.889  -0.104   3.267
  119    H    VAL  17           HN       VAL  17   4.695   3.371   7.062
  120    HA   VAL  17           HA       VAL  17   7.097   4.304   5.804
  121    HB   VAL  17           HB       VAL  17   5.074   5.746   6.106
  122   1HG1  VAL  17          HG11      VAL  17   6.064   6.082   8.929
  123   2HG1  VAL  17          HG12      VAL  17   4.686   5.083   8.490
  124   3HG1  VAL  17          HG13      VAL  17   4.641   6.818   8.191
  125   1HG2  VAL  17          HG21      VAL  17   6.373   7.778   6.576
  126   2HG2  VAL  17          HG22      VAL  17   7.217   6.683   5.480
  127   3HG2  VAL  17          HG23      VAL  17   7.697   6.777   7.174
  128    H    SER  18           HN       SER  18   6.097   3.342   9.016
  129    HA   SER  18           HA       SER  18   8.506   4.258  10.308
  130   1HB   SER  18          HB2       SER  18   6.438   4.315  11.555
  131   2HB   SER  18          HB1       SER  18   6.201   2.584  11.314
  132    HG   SER  18           HG       SER  18   7.708   3.887  13.166
  133    H    THR  19           HN       THR  19   7.565   1.364   8.705
  134    HA   THR  19           HA       THR  19   9.437  -0.275  10.169
  135    HB   THR  19           HB       THR  19   8.783  -2.097   8.638
  136    HG1  THR  19           HG1      THR  19   7.351   0.012   7.388
  137   1HG2  THR  19          HG21      THR  19   6.588  -0.524   9.977
  138   2HG2  THR  19          HG22      THR  19   7.492  -1.893  10.624
  139   3HG2  THR  19          HG23      THR  19   6.347  -2.136   9.306
  140    H    PHE  20           HN       PHE  20   9.169  -0.285   6.708
  141    HA   PHE  20           HA       PHE  20  12.003  -0.722   6.381
  142   1HB   PHE  20          HB2       PHE  20  10.786  -2.145   5.024
  143   2HB   PHE  20          HB1       PHE  20   9.516  -0.955   4.764
  144    HD1  PHE  20           HD1      PHE  20  13.140  -1.353   3.958
  145    HD2  PHE  20           HD2      PHE  20   9.263  -0.223   2.650
  146    HE1  PHE  20           HE1      PHE  20  14.035  -0.887   1.722
  147    HE2  PHE  20           HE2      PHE  20  10.148   0.272   0.414
  148    HZ   PHE  20           HZ       PHE  20  12.535  -0.052  -0.051
  149    H    PHE  21           HN       PHE  21   9.622   1.670   5.733
  150    HA   PHE  21           HA       PHE  21  11.140   3.321   4.057
  151   1HB   PHE  21          HB2       PHE  21   8.763   3.699   5.828
  152   2HB   PHE  21          HB1       PHE  21   9.378   5.023   4.857
  153    HD1  PHE  21           HD1      PHE  21   6.933   4.918   3.947
  154    HD2  PHE  21           HD2      PHE  21   9.828   1.863   3.280
  155    HE1  PHE  21           HE1      PHE  21   5.570   4.030   2.118
  156    HE2  PHE  21           HE2      PHE  21   8.460   0.993   1.426
  157    HZ   PHE  21           HZ       PHE  21   6.335   2.075   0.845
  158    H    THR  22           HN       THR  22  11.143   2.789   7.452
  159    HA   THR  22           HA       THR  22  12.297   5.318   8.141
  160    HB   THR  22           HB       THR  22  13.035   4.220  10.225
  161    HG1  THR  22           HG1      THR  22  13.303   2.173   9.135
  162   1HG2  THR  22          HG21      THR  22  10.187   3.772   9.365
  163   2HG2  THR  22          HG22      THR  22  10.847   5.230  10.099
  164   3HG2  THR  22          HG23      THR  22  10.748   3.748  11.041
  165    H    PHE  23           HN       PHE  23  13.485   2.472   6.630
  166    HA   PHE  23           HA       PHE  23  16.201   2.749   7.352
  167   1HB   PHE  23          HB2       PHE  23  16.404   0.858   6.158
  168   2HB   PHE  23          HB1       PHE  23  14.709   0.993   5.751
  169    HD1  PHE  23           HD1      PHE  23  17.874   2.623   4.543
  170    HD2  PHE  23           HD2      PHE  23  14.279   0.565   3.584
  171    HE1  PHE  23           HE1      PHE  23  18.435   2.779   2.173
  172    HE2  PHE  23           HE2      PHE  23  14.849   0.728   1.196
  173    HZ   PHE  23           HZ       PHE  23  16.934   1.806   0.509
  174    H    ALA  24           HN       ALA  24  14.129   4.534   5.254
  175    HA   ALA  24           HA       ALA  24  15.664   5.801   3.406
  176   1HB   ALA  24          HB1       ALA  24  13.263   6.301   4.113
  177   2HB   ALA  24          HB2       ALA  24  14.241   7.671   3.601
  178   3HB   ALA  24          HB3       ALA  24  13.957   7.380   5.317
  179    H    GLY  25           HN       GLY  25  15.589   6.278   6.841
  180   1HA   GLY  25          HA2       GLY  25  17.107   8.456   7.369
  181   2HA   GLY  25          HA1       GLY  25  17.242   6.959   8.297
  182    H    ARG  26           HN       ARG  26  18.246   5.454   6.014
  183    HA   ARG  26           HA       ARG  26  20.957   5.555   6.367
  184   1HB   ARG  26          HB2       ARG  26  19.219   4.580   4.134
  185   2HB   ARG  26          HB1       ARG  26  20.966   4.568   3.928
  186   1HG   ARG  26          HG2       ARG  26  19.695   3.313   6.327
  187   2HG   ARG  26          HG1       ARG  26  19.798   2.448   4.791
  188   1HD   ARG  26          HD2       ARG  26  21.719   1.787   5.924
  189   2HD   ARG  26          HD1       ARG  26  22.289   3.059   4.849
  190    HE   ARG  26           HE       ARG  26  21.565   4.049   7.431
  191   1HH1  ARG  26          HH11      ARG  26  24.085   2.481   5.614
  192   2HH1  ARG  26          HH12      ARG  26  25.359   3.040   6.647
  193   1HH2  ARG  26          HH21      ARG  26  23.232   4.791   8.802
  194   2HH2  ARG  26          HH22      ARG  26  24.873   4.352   8.461
  195    H    GLU  27           HN       GLU  27  18.977   7.469   4.186
  196    HA   GLU  27           HA       GLU  27  21.306   8.651   2.920
  197   1HB   GLU  27          HB2       GLU  27  18.365   9.283   2.608
  198   2HB   GLU  27          HB1       GLU  27  19.661   9.944   1.619
  199   1HG   GLU  27          HG2       GLU  27  18.915   7.034   1.810
  200   2HG   GLU  27          HG1       GLU  27  18.474   8.125   0.498
  201    H    GLY  28           HN       GLY  28  22.019  10.735   3.195
  202   1HA   GLY  28          HA2       GLY  28  21.968  11.879   5.693
  203   2HA   GLY  28          HA1       GLY  28  22.348  12.762   4.225
  204    H    ARG  29           HN       ARG  29  20.861  14.117   3.333
  205    HA   ARG  29           HA       ARG  29  19.160  15.523   4.899
  206   1HB   ARG  29          HB2       ARG  29  19.845  16.222   2.649
  207   2HB   ARG  29          HB1       ARG  29  18.816  14.985   1.943
  208   1HG   ARG  29          HG2       ARG  29  16.841  16.097   2.752
  209   2HG   ARG  29          HG1       ARG  29  17.822  17.284   3.614
  210   1HD   ARG  29          HD2       ARG  29  16.909  18.126   1.476
  211   2HD   ARG  29          HD1       ARG  29  18.671  18.155   1.540
  212    HE   ARG  29           HE       ARG  29  17.889  15.744   0.371
  213   1HH1  ARG  29          HH11      ARG  29  17.775  19.157  -0.305
  214   2HH1  ARG  29          HH12      ARG  29  17.830  18.951  -2.024
  215   1HH2  ARG  29          HH21      ARG  29  17.961  15.458  -1.889
  216   2HH2  ARG  29          HH22      ARG  29  17.934  16.845  -2.925
  217    H    LYS  30           HN       LYS  30  16.729  15.749   4.697
  218    HA   LYS  30           HA       LYS  30  15.518  13.116   5.073
  219   1HB   LYS  30          HB2       LYS  30  14.257  15.816   5.594
  220   2HB   LYS  30          HB1       LYS  30  13.754  14.250   6.224
  221   1HG   LYS  30          HG2       LYS  30  15.808  14.115   7.545
  222   2HG   LYS  30          HG1       LYS  30  16.303  15.692   6.927
  223   1HD   LYS  30          HD2       LYS  30  14.282  16.689   7.925
  224   2HD   LYS  30          HD1       LYS  30  13.849  15.111   8.585
  225   1HE   LYS  30          HE2       LYS  30  15.927  15.086   9.878
  226   2HE   LYS  30          HE1       LYS  30  16.358  16.663   9.217
  227   1HZ   LYS  30          HZ1       LYS  30  14.379  17.590  10.264
  228   2HZ   LYS  30          HZ2       LYS  30  15.397  16.879  11.412
  229   3HZ   LYS  30          HZ3       LYS  30  13.993  16.077  10.916
  230    H    GLY  31           HN       GLY  31  16.036  13.400   2.515
  231   1HA   GLY  31          HA2       GLY  31  13.632  14.444   1.165
  232   2HA   GLY  31          HA1       GLY  31  15.136  13.968   0.380
  233    H    SER  32           HN       SER  32  15.624  11.628   0.345
  234    HA   SER  32           HA       SER  32  13.188  10.061   0.696
  235   1HB   SER  32          HB2       SER  32  12.799  10.170  -1.498
  236   2HB   SER  32          HB1       SER  32  14.427  10.747  -1.859
  237    HG   SER  32           HG       SER  32  15.003   8.776  -2.331
  238    H    LEU  33           HN       LEU  33  13.598   7.775   0.091
  239    HA   LEU  33           HA       LEU  33  15.873   6.834   1.621
  240   1HB   LEU  33          HB2       LEU  33  13.780   5.929   2.273
  241   2HB   LEU  33          HB1       LEU  33  13.331   5.637   0.617
  242    HG   LEU  33           HG       LEU  33  15.688   4.158   1.604
  243   1HD1  LEU  33          HD11      LEU  33  13.580   2.544   2.323
  244   2HD1  LEU  33          HD12      LEU  33  13.147   4.117   2.955
  245   3HD1  LEU  33          HD13      LEU  33  14.670   3.394   3.413
  246   1HD2  LEU  33          HD21      LEU  33  14.510   4.077  -0.701
  247   2HD2  LEU  33          HD22      LEU  33  13.302   3.102   0.131
  248   3HD2  LEU  33          HD23      LEU  33  14.971   2.564   0.065
  249    H    ASN  34           HN       ASN  34  17.211   5.017   0.766
  250    HA   ASN  34           HA       ASN  34  17.130   5.090  -2.172
  251   1HB   ASN  34          HB2       ASN  34  18.994   6.381  -1.046
  252   2HB   ASN  34          HB1       ASN  34  19.640   4.836  -0.509
  253   1HD2  ASN  34          HD21      ASN  34  21.541   5.150  -1.658
  254   2HD2  ASN  34          HD22      ASN  34  21.611   4.991  -3.377
  255    H    ILE  35           HN       ILE  35  19.623   3.056  -1.266
  256    HA   ILE  35           HA       ILE  35  17.924   0.804  -0.838
  257    HB   ILE  35           HB       ILE  35  18.943  -0.545  -2.578
  258   1HG1  ILE  35          HG12      ILE  35  21.077   0.575  -2.849
  259   2HG1  ILE  35          HG11      ILE  35  20.229   0.554  -4.390
  260   1HG2  ILE  35          HG21      ILE  35  17.895   1.849  -3.995
  261   2HG2  ILE  35          HG22      ILE  35  16.867   1.022  -2.826
  262   3HG2  ILE  35          HG23      ILE  35  17.503   0.144  -4.212
  263   1HD1  ILE  35          HD11      ILE  35  20.944   2.695  -4.405
  264   2HD1  ILE  35          HD12      ILE  35  20.948   2.822  -2.647
  265   3HD1  ILE  35          HD13      ILE  35  19.428   2.933  -3.534
  266    H    ASN  36           HN       ASN  36  19.710   2.102   0.876
  267    HA   ASN  36           HA       ASN  36  22.090   0.490   1.052
  268   1HB   ASN  36          HB2       ASN  36  20.931   2.457   3.046
  269   2HB   ASN  36          HB1       ASN  36  22.547   1.757   3.107
  270   1HD2  ASN  36          HD21      ASN  36  23.573   3.730   3.005
  271   2HD2  ASN  36          HD22      ASN  36  23.606   4.693   1.572
  272    H    GLU  37           HN       GLU  37  19.425   1.087   3.383
  273    HA   GLU  37           HA       GLU  37  19.913  -1.550   4.423
  274   1HB   GLU  37          HB2       GLU  37  18.029   0.601   5.213
  275   2HB   GLU  37          HB1       GLU  37  17.764  -1.037   5.756
  276   1HG   GLU  37          HG2       GLU  37  19.879  -1.089   6.835
  277   2HG   GLU  37          HG1       GLU  37  20.324   0.456   6.123
  278    H    PHE  38           HN       PHE  38  18.022  -0.263   1.852
  279    HA   PHE  38           HA       PHE  38  15.854  -1.979   1.791
  280   1HB   PHE  38          HB2       PHE  38  16.474  -0.135   0.121
  281   2HB   PHE  38          HB1       PHE  38  17.532  -1.311  -0.640
  282    HD1  PHE  38           HD1      PHE  38  14.536   0.237  -0.928
  283    HD2  PHE  38           HD2      PHE  38  16.174  -3.673  -0.992
  284    HE1  PHE  38           HE1      PHE  38  12.617  -0.540  -2.263
  285    HE2  PHE  38           HE2      PHE  38  14.267  -4.460  -2.311
  286    HZ   PHE  38           HZ       PHE  38  12.480  -2.897  -2.957
  287    H    LYS  39           HN       LYS  39  19.237  -2.477   1.216
  288    HA   LYS  39           HA       LYS  39  19.151  -4.957   0.015
  289   1HB   LYS  39          HB2       LYS  39  21.337  -4.088   1.862
  290   2HB   LYS  39          HB1       LYS  39  21.464  -5.116   0.443
  291   1HG   LYS  39          HG2       LYS  39  20.362  -2.690  -0.397
  292   2HG   LYS  39          HG1       LYS  39  21.751  -2.305   0.622
  293   1HD   LYS  39          HD2       LYS  39  21.774  -4.226  -1.701
  294   2HD   LYS  39          HD1       LYS  39  22.367  -2.562  -1.756
  295   1HE   LYS  39          HE2       LYS  39  24.017  -3.094  -0.031
  296   2HE   LYS  39          HE1       LYS  39  23.418  -4.750   0.036
  297   1HZ   LYS  39          HZ1       LYS  39  25.415  -4.566  -1.317
  298   2HZ   LYS  39          HZ2       LYS  39  24.646  -3.462  -2.342
  299   3HZ   LYS  39          HZ3       LYS  39  24.096  -5.059  -2.255
  300    H    GLU  40           HN       GLU  40  18.374  -4.099   3.077
  301    HA   GLU  40           HA       GLU  40  18.832  -6.664   4.304
  302   1HB   GLU  40          HB2       GLU  40  17.097  -4.426   5.349
  303   2HB   GLU  40          HB1       GLU  40  17.866  -5.714   6.272
  304   1HG   GLU  40          HG2       GLU  40  19.368  -3.617   4.748
  305   2HG   GLU  40          HG1       GLU  40  18.960  -3.478   6.460
  306    H    LEU  41           HN       LEU  41  16.570  -5.286   2.224
  307    HA   LEU  41           HA       LEU  41  14.223  -6.590   3.103
  308   1HB   LEU  41          HB2       LEU  41  14.907  -5.449   0.401
  309   2HB   LEU  41          HB1       LEU  41  13.309  -5.989   0.887
  310    HG   LEU  41           HG       LEU  41  14.854  -3.601   1.803
  311   1HD1  LEU  41          HD11      LEU  41  12.191  -2.971   1.445
  312   2HD1  LEU  41          HD12      LEU  41  12.515  -4.155   0.179
  313   3HD1  LEU  41          HD13      LEU  41  13.495  -2.693   0.291
  314   1HD2  LEU  41          HD21      LEU  41  13.277  -3.243   3.597
  315   2HD2  LEU  41          HD22      LEU  41  14.053  -4.806   3.819
  316   3HD2  LEU  41          HD23      LEU  41  12.411  -4.719   3.180
  317    H    ALA  42           HN       ALA  42  15.162  -7.193  -0.251
  318    HA   ALA  42           HA       ALA  42  14.220  -9.662  -0.498
  319   1HB   ALA  42          HB1       ALA  42  15.842 -10.106  -2.225
  320   2HB   ALA  42          HB2       ALA  42  16.784  -8.734  -1.663
  321   3HB   ALA  42          HB3       ALA  42  15.176  -8.481  -2.326
  322    H    THR  43           HN       THR  43  17.146  -8.873   1.183
  323    HA   THR  43           HA       THR  43  18.291 -11.394   1.306
  324    HB   THR  43           HB       THR  43  19.099 -10.328   3.608
  325    HG1  THR  43           HG1      THR  43  18.493  -7.940   2.230
  326   1HG2  THR  43          HG21      THR  43  20.557 -10.682   1.707
  327   2HG2  THR  43          HG22      THR  43  20.804  -9.051   2.332
  328   3HG2  THR  43          HG23      THR  43  19.843  -9.303   0.876
  329    H    GLN  44           HN       GLN  44  16.252  -9.762   3.736
  330    HA   GLN  44           HA       GLN  44  15.706 -12.213   5.083
  331   1HB   GLN  44          HB2       GLN  44  15.910 -10.247   6.446
  332   2HB   GLN  44          HB1       GLN  44  14.732  -9.387   5.466
  333   1HG   GLN  44          HG2       GLN  44  13.720 -10.019   7.540
  334   2HG   GLN  44          HG1       GLN  44  12.994 -10.960   6.237
  335   1HE2  GLN  44          HE21      GLN  44  13.417 -13.163   6.097
  336   2HE2  GLN  44          HE22      GLN  44  14.087 -14.056   7.415
  337    H    GLN  45           HN       GLN  45  14.093 -10.063   2.846
  338    HA   GLN  45           HA       GLN  45  11.532 -11.239   3.024
  339   1HB   GLN  45          HB2       GLN  45  12.789  -9.814   0.672
  340   2HB   GLN  45          HB1       GLN  45  11.087 -10.173   0.843
  341   1HG   GLN  45          HG2       GLN  45  12.598  -7.919   1.801
  342   2HG   GLN  45          HG1       GLN  45  10.855  -8.145   1.706
  343   1HE2  GLN  45          HE21      GLN  45  13.685  -8.365   3.683
  344   2HE2  GLN  45          HE22      GLN  45  12.864  -8.591   5.194
  345    H    LEU  46           HN       LEU  46  14.513 -12.170   1.538
  346    HA   LEU  46           HA       LEU  46  13.744 -13.866  -0.469
  347   1HB   LEU  46          HB2       LEU  46  16.063 -13.682   1.311
  348   2HB   LEU  46          HB1       LEU  46  15.728 -15.322   0.807
  349    HG   LEU  46           HG       LEU  46  16.557 -12.979  -0.882
  350   1HD1  LEU  46          HD11      LEU  46  17.531 -15.810  -0.584
  351   2HD1  LEU  46          HD12      LEU  46  18.309 -14.352   0.033
  352   3HD1  LEU  46          HD13      LEU  46  18.186 -14.619  -1.706
  353   1HD2  LEU  46          HD21      LEU  46  16.159 -14.561  -2.835
  354   2HD2  LEU  46          HD22      LEU  46  14.750 -13.756  -2.148
  355   3HD2  LEU  46          HD23      LEU  46  15.078 -15.443  -1.754
  356    HA   PRO  47           HA       PRO  47  12.659 -17.378   2.405
  357   1HB   PRO  47          HB2       PRO  47  13.331 -17.442   4.992
  358   2HB   PRO  47          HB1       PRO  47  14.481 -17.906   3.734
  359   1HG   PRO  47          HG2       PRO  47  14.263 -15.348   5.263
  360   2HG   PRO  47          HG1       PRO  47  15.714 -16.258   4.803
  361   1HD   PRO  47          HD2       PRO  47  14.794 -14.051   3.452
  362   2HD   PRO  47          HD1       PRO  47  15.775 -15.336   2.719
  363    H    HIS  48           HN       HIS  48  10.715 -16.228   2.048
  364    HA   HIS  48           HA       HIS  48   9.472 -14.998   4.377
  365   1HB   HIS  48          HB2       HIS  48   9.175 -14.679   1.518
  366   2HB   HIS  48          HB1       HIS  48   7.622 -15.012   2.274
  367    HD1  HIS  48           HD1      HIS  48  10.017 -12.360   1.674
  368    HD2  HIS  48           HD2      HIS  48   7.051 -13.161   4.470
  369    HE1  HIS  48           HE1      HIS  48   9.568 -10.172   2.821
  370    HE2  HIS  48           HE2      HIS  48   7.817 -10.696   4.556
  371    H    LEU  49           HN       LEU  49   6.835 -15.615   3.915
  372    HA   LEU  49           HA       LEU  49   6.707 -18.395   4.689
  373   1HB   LEU  49          HB2       LEU  49   4.580 -16.284   4.235
  374   2HB   LEU  49          HB1       LEU  49   4.202 -17.943   4.663
  375    HG   LEU  49           HG       LEU  49   5.714 -15.947   6.346
  376   1HD1  LEU  49          HD11      LEU  49   3.295 -15.605   6.274
  377   2HD1  LEU  49          HD12      LEU  49   3.823 -16.165   7.861
  378   3HD1  LEU  49          HD13      LEU  49   3.043 -17.286   6.745
  379   1HD2  LEU  49          HD21      LEU  49   5.754 -17.698   8.059
  380   2HD2  LEU  49          HD22      LEU  49   6.670 -18.167   6.626
  381   3HD2  LEU  49          HD23      LEU  49   5.063 -18.838   6.905
  382    H    LEU  50           HN       LEU  50   4.635 -16.708   2.358
  383    HA   LEU  50           HA       LEU  50   4.916 -18.890   0.458
  384   1HB   LEU  50          HB2       LEU  50   3.166 -17.810  -0.801
  385   2HB   LEU  50          HB1       LEU  50   2.695 -17.893   0.884
  386    HG   LEU  50           HG       LEU  50   3.957 -15.389  -0.161
  387   1HD1  LEU  50          HD11      LEU  50   1.137 -16.310  -0.624
  388   2HD1  LEU  50          HD12      LEU  50   2.297 -15.683  -1.796
  389   3HD1  LEU  50          HD13      LEU  50   1.583 -14.604  -0.598
  390   1HD2  LEU  50          HD21      LEU  50   2.320 -16.235   2.156
  391   2HD2  LEU  50          HD22      LEU  50   2.028 -14.619   1.516
  392   3HD2  LEU  50          HD23      LEU  50   3.642 -15.071   2.063
  393    H    LYS  51           HN       LYS  51   7.338 -17.811   0.731
  394    HA   LYS  51           HA       LYS  51   8.199 -15.568  -0.413
  395   1HB   LYS  51          HB2       LYS  51   9.743 -17.077   0.590
  396   2HB   LYS  51          HB1       LYS  51   9.430 -18.306  -0.630
  397   1HG   LYS  51          HG2       LYS  51  10.363 -16.711  -2.322
  398   2HG   LYS  51          HG1       LYS  51  10.881 -15.678  -0.989
  399   1HD   LYS  51          HD2       LYS  51  11.963 -18.254  -1.993
  400   2HD   LYS  51          HD1       LYS  51  12.802 -16.871  -1.300
  401   1HE   LYS  51          HE2       LYS  51  11.743 -17.634   0.916
  402   2HE   LYS  51          HE1       LYS  51  11.457 -19.158   0.090
  403   1HZ   LYS  51          HZ1       LYS  51  13.821 -19.335  -0.348
  404   2HZ   LYS  51          HZ2       LYS  51  13.544 -19.187   1.314
  405   3HZ   LYS  51          HZ3       LYS  51  14.107 -17.860   0.431
  406    H    ASP  52           HN       ASP  52   9.059 -14.933  -2.361
  407    HA   ASP  52           HA       ASP  52   7.700 -16.010  -4.732
  408   1HB   ASP  52          HB2       ASP  52   7.209 -13.657  -4.249
  409   2HB   ASP  52          HB1       ASP  52   8.930 -13.282  -4.246
  410    H    VAL  53           HN       VAL  53  10.773 -15.173  -3.350
  411    HA   VAL  53           HA       VAL  53  12.773 -16.289  -3.697
  412    HB   VAL  53           HB       VAL  53  11.840 -16.641  -6.503
  413   1HG1  VAL  53          HG11      VAL  53  14.334 -17.624  -5.150
  414   2HG1  VAL  53          HG12      VAL  53  14.237 -16.457  -6.469
  415   3HG1  VAL  53          HG13      VAL  53  13.797 -18.141  -6.748
  416   1HG2  VAL  53          HG21      VAL  53  12.218 -18.777  -4.428
  417   2HG2  VAL  53          HG22      VAL  53  11.490 -18.950  -6.025
  418   3HG2  VAL  53          HG23      VAL  53  10.662 -18.027  -4.774
  419    H    GLY  54           HN       GLY  54  13.203 -14.030  -3.219
  420   1HA   GLY  54          HA2       GLY  54  13.565 -12.054  -5.160
  421   2HA   GLY  54          HA1       GLY  54  14.396 -12.112  -3.614
  422    H    SER  55           HN       SER  55  14.607 -12.724  -7.000
  423    HA   SER  55           HA       SER  55  16.909 -14.270  -7.166
  424   1HB   SER  55          HB2       SER  55  15.417 -13.619  -9.074
  425   2HB   SER  55          HB1       SER  55  16.158 -12.020  -9.040
  426    HG   SER  55           HG       SER  55  17.120 -13.489 -10.565
  427    H    LEU  56           HN       LEU  56  19.107 -13.786  -7.343
  428    HA   LEU  56           HA       LEU  56  20.113 -11.856  -5.607
  429   1HB   LEU  56          HB2       LEU  56  21.241 -13.956  -6.533
  430   2HB   LEU  56          HB1       LEU  56  21.660 -12.985  -7.931
  431    HG   LEU  56           HG       LEU  56  23.526 -13.128  -6.370
  432   1HD1  LEU  56          HD11      LEU  56  22.376 -10.347  -6.291
  433   2HD1  LEU  56          HD12      LEU  56  23.129 -11.060  -7.717
  434   3HD1  LEU  56          HD13      LEU  56  24.076 -10.814  -6.250
  435   1HD2  LEU  56          HD21      LEU  56  23.405 -12.159  -4.152
  436   2HD2  LEU  56          HD22      LEU  56  22.209 -13.445  -4.321
  437   3HD2  LEU  56          HD23      LEU  56  21.706 -11.755  -4.398
  438    H    ASP  57           HN       ASP  57  20.298 -11.822  -9.183
  439    HA   ASP  57           HA       ASP  57  21.372  -9.246  -9.407
  440   1HB   ASP  57          HB2       ASP  57  19.950 -11.091 -11.251
  441   2HB   ASP  57          HB1       ASP  57  20.082  -9.396 -11.712
  442    H    GLU  58           HN       GLU  58  18.012 -10.335  -9.550
  443    HA   GLU  58           HA       GLU  58  16.757  -7.968 -10.207
  444   1HB   GLU  58          HB2       GLU  58  15.869 -10.202  -8.380
  445   2HB   GLU  58          HB1       GLU  58  14.815  -8.867  -8.831
  446   1HG   GLU  58          HG2       GLU  58  15.215  -9.487 -11.223
  447   2HG   GLU  58          HG1       GLU  58  16.039 -10.932 -10.641
  448    H    LYS  59           HN       LYS  59  18.140  -9.048  -7.221
  449    HA   LYS  59           HA       LYS  59  17.128  -6.902  -5.666
  450   1HB   LYS  59          HB2       LYS  59  19.382  -8.836  -5.137
  451   2HB   LYS  59          HB1       LYS  59  18.707  -7.734  -3.946
  452   1HG   LYS  59          HG2       LYS  59  16.769  -8.920  -3.738
  453   2HG   LYS  59          HG1       LYS  59  16.859  -9.572  -5.362
  454   1HD   LYS  59          HD2       LYS  59  17.229 -11.321  -3.711
  455   2HD   LYS  59          HD1       LYS  59  18.683 -11.046  -4.665
  456   1HE   LYS  59          HE2       LYS  59  19.509  -9.573  -2.813
  457   2HE   LYS  59          HE1       LYS  59  18.127 -10.111  -1.860
  458   1HZ   LYS  59          HZ1       LYS  59  18.919 -12.383  -2.052
  459   2HZ   LYS  59          HZ2       LYS  59  20.102 -11.400  -1.352
  460   3HZ   LYS  59          HZ3       LYS  59  20.245 -11.871  -2.970
  461    H    MET  60           HN       MET  60  19.982  -7.463  -7.581
  462    HA   MET  60           HA       MET  60  21.323  -5.126  -6.626
  463   1HB   MET  60          HB2       MET  60  21.911  -7.058  -8.865
  464   2HB   MET  60          HB1       MET  60  22.914  -5.648  -8.538
  465   1HG   MET  60          HG2       MET  60  22.328  -7.737  -6.462
  466   2HG   MET  60          HG1       MET  60  23.699  -7.841  -7.567
  467   1HE   MET  60          HE1       MET  60  25.656  -6.052  -7.655
  468   2HE   MET  60          HE2       MET  60  25.747  -4.641  -6.601
  469   3HE   MET  60          HE3       MET  60  24.492  -4.740  -7.837
  470    H    LYS  61           HN       LYS  61  19.217  -5.995  -9.211
  471    HA   LYS  61           HA       LYS  61  19.660  -3.603 -10.761
  472   1HB   LYS  61          HB2       LYS  61  19.015  -5.579 -11.966
  473   2HB   LYS  61          HB1       LYS  61  17.617  -5.819 -10.922
  474   1HG   LYS  61          HG2       LYS  61  16.900  -4.960 -13.052
  475   2HG   LYS  61          HG1       LYS  61  16.637  -3.744 -11.799
  476   1HD   LYS  61          HD2       LYS  61  18.583  -2.524 -12.488
  477   2HD   LYS  61          HD1       LYS  61  19.039  -3.799 -13.622
  478   1HE   LYS  61          HE2       LYS  61  18.015  -1.924 -14.792
  479   2HE   LYS  61          HE1       LYS  61  17.009  -3.367 -14.919
  480   1HZ   LYS  61          HZ1       LYS  61  15.608  -2.496 -13.152
  481   2HZ   LYS  61          HZ2       LYS  61  15.684  -1.409 -14.446
  482   3HZ   LYS  61          HZ3       LYS  61  16.574  -1.111 -13.038
  483    H    THR  62           HN       THR  62  17.039  -4.943  -8.798
  484    HA   THR  62           HA       THR  62  15.304  -2.795  -8.912
  485    HB   THR  62           HB       THR  62  15.781  -4.686  -6.602
  486    HG1  THR  62           HG1      THR  62  14.983  -5.320  -8.912
  487   1HG2  THR  62          HG21      THR  62  14.561  -2.887  -5.697
  488   2HG2  THR  62          HG22      THR  62  13.351  -4.107  -6.093
  489   3HG2  THR  62          HG23      THR  62  13.578  -2.712  -7.150
  490    H    LEU  63           HN       LEU  63  18.332  -3.112  -7.303
  491    HA   LEU  63           HA       LEU  63  18.204  -1.342  -5.224
  492   1HB   LEU  63          HB2       LEU  63  20.217  -2.582  -6.748
  493   2HB   LEU  63          HB1       LEU  63  20.609  -0.874  -6.740
  494    HG   LEU  63           HG       LEU  63  20.037  -1.353  -4.104
  495   1HD1  LEU  63          HD11      LEU  63  21.371  -3.784  -5.244
  496   2HD1  LEU  63          HD12      LEU  63  19.875  -3.706  -4.315
  497   3HD1  LEU  63          HD13      LEU  63  21.415  -3.347  -3.537
  498   1HD2  LEU  63          HD21      LEU  63  21.922  -0.070  -5.103
  499   2HD2  LEU  63          HD22      LEU  63  22.751  -1.601  -5.383
  500   3HD2  LEU  63          HD23      LEU  63  22.391  -1.081  -3.737
  501    H    ASP  64           HN       ASP  64  18.751  -0.591  -8.660
  502    HA   ASP  64           HA       ASP  64  18.678   2.246  -8.144
  503   1HB   ASP  64          HB2       ASP  64  18.687   0.733 -10.762
  504   2HB   ASP  64          HB1       ASP  64  18.831   2.482 -10.589
  505    H    VAL  65           HN       VAL  65  16.525  -0.180  -9.559
  506    HA   VAL  65           HA       VAL  65  14.502   1.533 -10.454
  507    HB   VAL  65           HB       VAL  65  14.194  -1.283  -9.386
  508   1HG1  VAL  65          HG11      VAL  65  12.063  -0.102  -9.511
  509   2HG1  VAL  65          HG12      VAL  65  12.163  -1.349 -10.754
  510   3HG1  VAL  65          HG13      VAL  65  12.396   0.345 -11.185
  511   1HG2  VAL  65          HG21      VAL  65  14.364  -1.968 -11.724
  512   2HG2  VAL  65          HG22      VAL  65  15.826  -1.132 -11.201
  513   3HG2  VAL  65          HG23      VAL  65  14.641  -0.293 -12.202
  514    H    ASN  66           HN       ASN  66  14.624  -0.317  -7.409
  515    HA   ASN  66           HA       ASN  66  12.446   1.204  -6.274
  516   1HB   ASN  66          HB2       ASN  66  14.168  -1.044  -5.313
  517   2HB   ASN  66          HB1       ASN  66  13.166  -0.150  -4.183
  518   1HD2  ASN  66          HD21      ASN  66  12.195  -0.739  -7.494
  519   2HD2  ASN  66          HD22      ASN  66  10.926  -1.843  -7.122
  520    H    GLN  67           HN       GLN  67  14.949   2.686  -6.911
  521    HA   GLN  67           HA       GLN  67  16.580   3.207  -4.743
  522   1HB   GLN  67          HB2       GLN  67  17.114   4.097  -6.895
  523   2HB   GLN  67          HB1       GLN  67  15.563   4.919  -7.020
  524   1HG   GLN  67          HG2       GLN  67  17.408   5.586  -4.865
  525   2HG   GLN  67          HG1       GLN  67  17.774   6.201  -6.458
  526   1HE2  GLN  67          HE21      GLN  67  15.911   6.489  -3.616
  527   2HE2  GLN  67          HE22      GLN  67  14.913   7.796  -4.094
  528    H    ASP  68           HN       ASP  68  13.940   5.044  -5.954
  529    HA   ASP  68           HA       ASP  68  13.503   6.549  -3.542
  530   1HB   ASP  68          HB2       ASP  68  12.194   6.451  -6.247
  531   2HB   ASP  68          HB1       ASP  68  11.443   7.330  -4.928
  532    H    SER  69           HN       SER  69  12.902   3.475  -3.736
  533    HA   SER  69           HA       SER  69  10.250   2.841  -3.752
  534   1HB   SER  69          HB2       SER  69  10.843   1.071  -2.038
  535   2HB   SER  69          HB1       SER  69  11.842   1.082  -3.491
  536    HG   SER  69           HG       SER  69  13.495   1.399  -2.253
  537    H    GLU  70           HN       GLU  70  12.128   4.430  -1.330
  538    HA   GLU  70           HA       GLU  70   9.634   5.027   0.103
  539   1HB   GLU  70          HB2       GLU  70  10.657   3.813   1.747
  540   2HB   GLU  70          HB1       GLU  70  12.250   4.238   1.185
  541   1HG   GLU  70          HG2       GLU  70  11.876   5.277   3.337
  542   2HG   GLU  70          HG1       GLU  70  11.942   6.533   2.097
  543    H    LEU  71           HN       LEU  71   9.437   7.099   0.923
  544    HA   LEU  71           HA       LEU  71  11.457   8.995   0.050
  545   1HB   LEU  71          HB2       LEU  71   9.930   8.803  -1.651
  546   2HB   LEU  71          HB1       LEU  71   8.573   8.710  -0.567
  547    HG   LEU  71           HG       LEU  71   8.783  10.708  -1.832
  548   1HD1  LEU  71          HD11      LEU  71   8.171  10.562   0.899
  549   2HD1  LEU  71          HD12      LEU  71   7.376  11.451  -0.387
  550   3HD1  LEU  71          HD13      LEU  71   8.733  12.159   0.450
  551   1HD2  LEU  71          HD21      LEU  71  10.406  12.406  -0.995
  552   2HD2  LEU  71          HD22      LEU  71  10.949  11.193  -2.104
  553   3HD2  LEU  71          HD23      LEU  71  11.285  11.016  -0.421
  554    H    ARG  72           HN       ARG  72  11.481  10.978   1.106
  555    HA   ARG  72           HA       ARG  72   9.824  11.330   3.493
  556   1HB   ARG  72          HB2       ARG  72  12.353  12.846   3.115
  557   2HB   ARG  72          HB1       ARG  72  11.629  12.250   4.601
  558   1HG   ARG  72          HG2       ARG  72  13.308  10.795   2.601
  559   2HG   ARG  72          HG1       ARG  72  13.598  11.022   4.325
  560   1HD   ARG  72          HD2       ARG  72  11.977   9.027   2.900
  561   2HD   ARG  72          HD1       ARG  72  12.860   8.908   4.414
  562    HE   ARG  72           HE       ARG  72  10.090   9.526   4.106
  563   1HH1  ARG  72          HH11      ARG  72  12.887   9.966   6.130
  564   2HH1  ARG  72          HH12      ARG  72  11.964  10.196   7.578
  565   1HH2  ARG  72          HH21      ARG  72   8.863   9.826   6.007
  566   2HH2  ARG  72          HH22      ARG  72   9.676  10.115   7.508
  567    H    PHE  73           HN       PHE  73  11.221  12.790   0.613
  568    HA   PHE  73           HA       PHE  73   9.664  15.193   0.970
  569   1HB   PHE  73          HB2       PHE  73  11.036  16.257  -0.604
  570   2HB   PHE  73          HB1       PHE  73  12.104  15.276   0.356
  571    HD1  PHE  73           HD1      PHE  73  11.538  16.467  -2.783
  572    HD2  PHE  73           HD2      PHE  73  12.439  12.790  -0.860
  573    HE1  PHE  73           HE1      PHE  73  12.473  15.584  -4.875
  574    HE2  PHE  73           HE2      PHE  73  13.349  11.900  -2.911
  575    HZ   PHE  73           HZ       PHE  73  13.392  13.299  -4.949
  576    H    SER  74           HN       SER  74  10.061  13.985  -2.448
  577    HA   SER  74           HA       SER  74   7.132  13.985  -2.472
  578   1HB   SER  74          HB2       SER  74   7.592  14.548  -5.032
  579   2HB   SER  74          HB1       SER  74   7.463  15.811  -3.809
  580    HG   SER  74           HG       SER  74   9.624  16.060  -3.816
  581    H    GLU  75           HN       GLU  75   9.817  12.173  -3.180
  582    HA   GLU  75           HA       GLU  75   8.865  10.580  -5.266
  583   1HB   GLU  75          HB2       GLU  75  10.721   9.719  -3.059
  584   2HB   GLU  75          HB1       GLU  75  10.580   8.988  -4.642
  585   1HG   GLU  75          HG2       GLU  75  11.355  11.837  -4.304
  586   2HG   GLU  75          HG1       GLU  75  12.535  10.536  -4.165
  587    H    TYR  76           HN       TYR  76   7.076  10.799  -2.563
  588    HA   TYR  76           HA       TYR  76   6.829   8.222  -1.596
  589   1HB   TYR  76          HB2       TYR  76   5.173  10.665  -1.474
  590   2HB   TYR  76          HB1       TYR  76   4.329   9.150  -1.175
  591    HD1  TYR  76           HD1      TYR  76   4.822  11.522   0.725
  592    HD2  TYR  76           HD2      TYR  76   6.823   7.823   0.126
  593    HE1  TYR  76           HE1      TYR  76   5.724  11.611   3.013
  594    HE2  TYR  76           HE2      TYR  76   7.722   7.898   2.335
  595    HH   TYR  76           HH       TYR  76   8.156   9.443   4.128
  596    H    TRP  77           HN       TRP  77   5.885   9.503  -4.564
  597    HA   TRP  77           HA       TRP  77   3.739   7.815  -5.164
  598   1HB   TRP  77          HB2       TRP  77   4.414   8.097  -7.535
  599   2HB   TRP  77          HB1       TRP  77   4.361   9.629  -6.662
  600    HD1  TRP  77           HD1      TRP  77   7.046   6.973  -7.557
  601    HE1  TRP  77           HE1      TRP  77   9.233   8.222  -8.043
  602    HE3  TRP  77           HE3      TRP  77   5.478  11.717  -6.602
  603    HZ2  TRP  77           HZ2      TRP  77  10.171  10.904  -8.045
  604    HZ3  TRP  77           HZ3      TRP  77   7.063  13.570  -6.848
  605    HH2  TRP  77           HH2      TRP  77   9.368  13.174  -7.559
  606    H    ARG  78           HN       ARG  78   7.060   7.076  -4.491
  607    HA   ARG  78           HA       ARG  78   7.128   4.701  -6.069
  608   1HB   ARG  78          HB2       ARG  78   8.861   5.992  -4.036
  609   2HB   ARG  78          HB1       ARG  78   9.108   4.278  -4.358
  610   1HG   ARG  78          HG2       ARG  78   9.234   6.541  -6.317
  611   2HG   ARG  78          HG1       ARG  78  10.570   5.555  -5.724
  612   1HD   ARG  78          HD2       ARG  78   8.351   4.750  -7.568
  613   2HD   ARG  78          HD1       ARG  78  10.090   4.692  -7.849
  614    HE   ARG  78           HE       ARG  78   9.654   3.023  -5.717
  615   1HH1  ARG  78          HH11      ARG  78   8.540   3.225  -9.008
  616   2HH1  ARG  78          HH12      ARG  78   8.296   1.518  -9.166
  617   1HH2  ARG  78          HH21      ARG  78   9.335   0.776  -5.909
  618   2HH2  ARG  78          HH22      ARG  78   8.746   0.124  -7.402
  619    H    LEU  79           HN       LEU  79   6.551   5.401  -2.587
  620    HA   LEU  79           HA       LEU  79   6.301   2.812  -1.664
  621   1HB   LEU  79          HB2       LEU  79   4.099   4.548  -0.772
  622   2HB   LEU  79          HB1       LEU  79   5.256   3.635   0.166
  623    HG   LEU  79           HG       LEU  79   5.709   6.345  -1.073
  624   1HD1  LEU  79          HD11      LEU  79   4.520   5.459   1.384
  625   2HD1  LEU  79          HD12      LEU  79   4.746   7.098   0.785
  626   3HD1  LEU  79          HD13      LEU  79   6.020   6.322   1.726
  627   1HD2  LEU  79          HD21      LEU  79   7.503   4.424   0.342
  628   2HD2  LEU  79          HD22      LEU  79   7.760   6.160   0.490
  629   3HD2  LEU  79          HD23      LEU  79   7.808   5.392  -1.097
  630    H    ILE  80           HN       ILE  80   4.283   4.628  -3.783
  631    HA   ILE  80           HA       ILE  80   1.903   3.489  -3.618
  632    HB   ILE  80           HB       ILE  80   2.951   5.251  -5.291
  633   1HG1  ILE  80          HG12      ILE  80   0.487   3.635  -5.977
  634   2HG1  ILE  80          HG11      ILE  80   0.546   4.920  -4.773
  635   1HG2  ILE  80          HG21      ILE  80   2.827   4.445  -7.605
  636   2HG2  ILE  80          HG22      ILE  80   2.661   2.797  -7.002
  637   3HG2  ILE  80          HG23      ILE  80   4.136   3.707  -6.688
  638   1HD1  ILE  80          HD11      ILE  80  -0.408   5.726  -6.841
  639   2HD1  ILE  80          HD12      ILE  80   1.030   5.220  -7.728
  640   3HD1  ILE  80          HD13      ILE  80   1.140   6.516  -6.537
  641    H    GLY  81           HN       GLY  81   4.471   2.137  -5.677
  642   1HA   GLY  81          HA2       GLY  81   2.954  -0.299  -6.042
  643   2HA   GLY  81          HA1       GLY  81   4.557   0.040  -6.680
  644    H    GLU  82           HN       GLU  82   4.775   0.887  -3.545
  645    HA   GLU  82           HA       GLU  82   6.239  -1.530  -2.869
  646   1HB   GLU  82          HB2       GLU  82   5.767   0.994  -1.303
  647   2HB   GLU  82          HB1       GLU  82   6.882  -0.289  -0.851
  648   1HG   GLU  82          HG2       GLU  82   7.093   1.411  -3.314
  649   2HG   GLU  82          HG1       GLU  82   8.061   1.590  -1.856
  650    H    LEU  83           HN       LEU  83   3.835   0.427  -1.135
  651    HA   LEU  83           HA       LEU  83   3.175  -1.408   0.830
  652   1HB   LEU  83          HB2       LEU  83   1.485   0.698  -0.515
  653   2HB   LEU  83          HB1       LEU  83   0.913  -0.255   0.837
  654    HG   LEU  83           HG       LEU  83   2.796   0.648   2.209
  655   1HD1  LEU  83          HD11      LEU  83   3.216   2.361  -0.231
  656   2HD1  LEU  83          HD12      LEU  83   4.374   1.270   0.531
  657   3HD1  LEU  83          HD13      LEU  83   3.863   2.738   1.366
  658   1HD2  LEU  83          HD21      LEU  83   1.803   3.001   2.302
  659   2HD2  LEU  83          HD22      LEU  83   0.711   1.644   2.578
  660   3HD2  LEU  83          HD23      LEU  83   0.724   2.462   1.015
  661    H    ALA  84           HN       ALA  84   2.426  -1.431  -2.526
  662    HA   ALA  84           HA       ALA  84   0.323  -3.335  -2.311
  663   1HB   ALA  84          HB1       ALA  84   0.074  -2.236  -4.275
  664   2HB   ALA  84          HB2       ALA  84   1.071  -3.569  -4.859
  665   3HB   ALA  84          HB3       ALA  84   1.809  -2.013  -4.487
  666    H    LYS  85           HN       LYS  85   3.816  -3.483  -2.843
  667    HA   LYS  85           HA       LYS  85   4.234  -6.003  -3.777
  668   1HB   LYS  85          HB2       LYS  85   5.726  -4.793  -1.448
  669   2HB   LYS  85          HB1       LYS  85   6.315  -6.081  -2.498
  670   1HG   LYS  85          HG2       LYS  85   5.659  -3.293  -3.420
  671   2HG   LYS  85          HG1       LYS  85   7.276  -3.873  -3.018
  672   1HD   LYS  85          HD2       LYS  85   5.474  -4.841  -5.231
  673   2HD   LYS  85          HD1       LYS  85   7.020  -4.003  -5.392
  674   1HE   LYS  85          HE2       LYS  85   7.961  -6.006  -4.051
  675   2HE   LYS  85          HE1       LYS  85   6.472  -6.817  -4.531
  676   1HZ   LYS  85          HZ1       LYS  85   7.033  -6.355  -6.854
  677   2HZ   LYS  85          HZ2       LYS  85   8.214  -7.303  -6.100
  678   3HZ   LYS  85          HZ3       LYS  85   8.495  -5.657  -6.369
  679    H    GLU  86           HN       GLU  86   3.876  -5.232  -0.376
  680    HA   GLU  86           HA       GLU  86   3.784  -7.765   0.644
  681   1HB   GLU  86          HB2       GLU  86   2.132  -6.509   2.309
  682   2HB   GLU  86          HB1       GLU  86   3.858  -6.245   2.359
  683   1HG   GLU  86          HG2       GLU  86   3.645  -4.175   1.367
  684   2HG   GLU  86          HG1       GLU  86   2.120  -4.571   0.660
  685    H    VAL  87           HN       VAL  87   1.261  -5.849  -0.840
  686    HA   VAL  87           HA       VAL  87  -0.826  -7.709  -0.197
  687    HB   VAL  87           HB       VAL  87  -0.833  -5.301  -2.023
  688   1HG1  VAL  87          HG11      VAL  87  -2.585  -7.109  -2.463
  689   2HG1  VAL  87          HG12      VAL  87  -3.151  -5.469  -2.206
  690   3HG1  VAL  87          HG13      VAL  87  -3.265  -6.651  -0.903
  691   1HG2  VAL  87          HG21      VAL  87  -2.034  -4.209  -0.185
  692   2HG2  VAL  87          HG22      VAL  87  -0.413  -4.716   0.291
  693   3HG2  VAL  87          HG23      VAL  87  -1.816  -5.654   0.803
  694    H    ARG  88           HN       ARG  88   1.409  -7.235  -2.756
  695    HA   ARG  88           HA       ARG  88   0.033  -8.322  -4.913
  696   1HB   ARG  88          HB2       ARG  88   2.331  -7.125  -4.745
  697   2HB   ARG  88          HB1       ARG  88   2.975  -8.750  -4.521
  698   1HG   ARG  88          HG2       ARG  88   1.329  -7.872  -6.886
  699   2HG   ARG  88          HG1       ARG  88   3.090  -7.956  -6.856
  700   1HD   ARG  88          HD2       ARG  88   1.150 -10.241  -6.542
  701   2HD   ARG  88          HD1       ARG  88   2.230  -9.941  -7.900
  702    HE   ARG  88           HE       ARG  88   3.865 -10.142  -5.705
  703   1HH1  ARG  88          HH11      ARG  88   1.510 -12.173  -7.269
  704   2HH1  ARG  88          HH12      ARG  88   2.291 -13.650  -6.818
  705   1HH2  ARG  88          HH21      ARG  88   4.905 -12.082  -5.104
  706   2HH2  ARG  88          HH22      ARG  88   4.222 -13.599  -5.586
  707    H    LYS  89           HN       LYS  89   2.120 -10.019  -2.562
  708    HA   LYS  89           HA       LYS  89   1.517 -12.568  -3.784
  709   1HB   LYS  89          HB2       LYS  89   2.684 -13.524  -1.790
  710   2HB   LYS  89          HB1       LYS  89   3.659 -12.439  -2.755
  711   1HG   LYS  89          HG2       LYS  89   2.173 -11.355  -0.413
  712   2HG   LYS  89          HG1       LYS  89   3.611 -12.322  -0.117
  713   1HD   LYS  89          HD2       LYS  89   3.366  -9.548  -0.932
  714   2HD   LYS  89          HD1       LYS  89   4.763 -10.419  -0.315
  715   1HE   LYS  89          HE2       LYS  89   5.262 -11.216  -2.577
  716   2HE   LYS  89          HE1       LYS  89   3.855 -10.355  -3.190
  717   1HZ   LYS  89          HZ1       LYS  89   5.785  -8.772  -1.698
  718   2HZ   LYS  89          HZ2       LYS  89   4.901  -8.378  -3.083
  719   3HZ   LYS  89          HZ3       LYS  89   6.290  -9.332  -3.212
  720    H    GLU  90           HN       GLU  90   0.494 -10.643  -1.090
  721    HA   GLU  90           HA       GLU  90  -0.984 -12.512   0.329
  722   1HB   GLU  90          HB2       GLU  90  -1.101  -9.537   0.042
  723   2HB   GLU  90          HB1       GLU  90  -2.334 -10.373   0.982
  724   1HG   GLU  90          HG2       GLU  90   0.640 -10.462   1.444
  725   2HG   GLU  90          HG1       GLU  90  -0.533  -9.540   2.384
  726    H    LYS  91           HN       LYS  91  -1.576 -11.127  -2.761
  727    HA   LYS  91           HA       LYS  91  -4.349 -11.217  -2.926
  728   1HB   LYS  91          HB2       LYS  91  -4.119 -11.205  -5.268
  729   2HB   LYS  91          HB1       LYS  91  -2.719 -10.335  -4.660
  730   1HG   LYS  91          HG2       LYS  91  -1.388 -12.420  -4.925
  731   2HG   LYS  91          HG1       LYS  91  -2.797 -13.162  -5.685
  732   1HD   LYS  91          HD2       LYS  91  -2.778 -11.310  -7.360
  733   2HD   LYS  91          HD1       LYS  91  -1.260 -10.755  -6.653
  734   1HE   LYS  91          HE2       LYS  91  -0.759 -12.088  -8.582
  735   2HE   LYS  91          HE1       LYS  91  -0.281 -12.986  -7.142
  736   1HZ   LYS  91          HZ1       LYS  91  -2.775 -13.398  -8.703
  737   2HZ   LYS  91          HZ2       LYS  91  -2.350 -14.243  -7.300
  738   3HZ   LYS  91          HZ3       LYS  91  -1.422 -14.414  -8.704
  739    H    ALA  92           HN       ALA  92  -1.975 -13.726  -3.616
  740    HA   ALA  92           HA       ALA  92  -4.009 -15.748  -3.976
  741   1HB   ALA  92          HB1       ALA  92  -2.177 -17.261  -4.435
  742   2HB   ALA  92          HB2       ALA  92  -1.014 -16.065  -3.865
  743   3HB   ALA  92          HB3       ALA  92  -1.953 -15.757  -5.326
  744    H    LEU  93           HN       LEU  93  -1.950 -14.685  -1.358
  745    HA   LEU  93           HA       LEU  93  -2.435 -17.107   0.163
  746   1HB   LEU  93          HB2       LEU  93  -0.358 -15.511   0.331
  747   2HB   LEU  93          HB1       LEU  93  -1.404 -14.616   1.429
  748    HG   LEU  93           HG       LEU  93  -1.779 -17.070   2.435
  749   1HD1  LEU  93          HD11      LEU  93  -0.361 -18.302   1.029
  750   2HD1  LEU  93          HD12      LEU  93   0.539 -18.109   2.534
  751   3HD1  LEU  93          HD13      LEU  93   0.933 -17.110   1.136
  752   1HD2  LEU  93          HD21      LEU  93   0.556 -15.248   3.070
  753   2HD2  LEU  93          HD22      LEU  93  -0.111 -16.480   4.142
  754   3HD2  LEU  93          HD23      LEU  93  -1.089 -15.084   3.687
  755    H    GLY  94           HN       GLY  94  -3.850 -13.923  -0.057
  756   1HA   GLY  94          HA2       GLY  94  -5.210 -13.637   2.291
  757   2HA   GLY  94          HA1       GLY  94  -5.927 -13.245   0.732
  758    H    ILE  95           HN       ILE  95  -5.934 -15.879  -0.295
  759    HA   ILE  95           HA       ILE  95  -8.418 -16.727   0.773
  760    HB   ILE  95           HB       ILE  95  -8.079 -18.713  -0.764
  761   1HG1  ILE  95          HG12      ILE  95  -5.793 -17.086  -1.826
  762   2HG1  ILE  95          HG11      ILE  95  -5.536 -18.429  -0.715
  763   1HG2  ILE  95          HG21      ILE  95  -9.324 -16.660  -1.329
  764   2HG2  ILE  95          HG22      ILE  95  -8.572 -17.432  -2.726
  765   3HG2  ILE  95          HG23      ILE  95  -7.837 -16.004  -2.004
  766   1HD1  ILE  95          HD11      ILE  95  -6.782 -18.564  -3.451
  767   2HD1  ILE  95          HD12      ILE  95  -6.636 -19.921  -2.335
  768   3HD1  ILE  95          HD13      ILE  95  -5.188 -19.153  -2.982
  769    H    ARG  96           HN       ARG  96  -7.278 -16.813   2.983
  770    HA   ARG  96           HA       ARG  96  -5.773 -19.153   3.572
  771   1HB   ARG  96          HB2       ARG  96  -7.087 -16.976   5.102
  772   2HB   ARG  96          HB1       ARG  96  -6.669 -18.444   5.981
  773   1HG   ARG  96          HG2       ARG  96  -4.735 -16.816   4.347
  774   2HG   ARG  96          HG1       ARG  96  -4.976 -16.618   6.083
  775   1HD   ARG  96          HD2       ARG  96  -4.254 -19.261   4.856
  776   2HD   ARG  96          HD1       ARG  96  -3.033 -18.081   5.328
  777    HE   ARG  96           HE       ARG  96  -4.783 -18.525   7.485
  778   1HH1  ARG  96          HH11      ARG  96  -2.274 -20.121   5.673
  779   2HH1  ARG  96          HH12      ARG  96  -1.755 -21.100   7.004
  780   1HH2  ARG  96          HH21      ARG  96  -4.106 -19.807   9.247
  781   2HH2  ARG  96          HH22      ARG  96  -2.796 -20.920   9.037
  782    H    LYS  97           HN       LYS  97  -9.067 -18.490   2.979
  783    HA   LYS  97           HA       LYS  97  -9.951 -20.960   4.269
  784   1HB   LYS  97          HB2       LYS  97 -12.200 -19.936   3.109
  785   2HB   LYS  97          HB1       LYS  97 -11.701 -19.610   4.760
  786   1HG   LYS  97          HG2       LYS  97 -10.874 -17.825   2.471
  787   2HG   LYS  97          HG1       LYS  97 -12.401 -17.629   3.336
  788   1HD   LYS  97          HD2       LYS  97 -11.373 -17.003   5.293
  789   2HD   LYS  97          HD1       LYS  97  -9.866 -17.831   4.894
  790   1HE   LYS  97          HE2       LYS  97  -9.323 -16.153   3.258
  791   2HE   LYS  97          HE1       LYS  97 -10.890 -15.373   3.479
  792   1HZ   LYS  97          HZ1       LYS  97  -9.103 -14.221   4.655
  793   2HZ   LYS  97          HZ2       LYS  97  -8.785 -15.611   5.564
  794   3HZ   LYS  97          HZ3       LYS  97 -10.267 -14.812   5.731
  795    H    LYS  98           HN       LYS  98  -8.841 -22.322   2.798
  796    HA   LYS  98           HA       LYS  98  -9.907 -22.334   0.058
  797   1HB   LYS  98          HB2       LYS  98  -7.395 -23.636   1.129
  798   2HB   LYS  98          HB1       LYS  98  -7.926 -23.650  -0.546
  799   1HG   LYS  98          HG2       LYS  98  -7.812 -21.078  -0.377
  800   2HG   LYS  98          HG1       LYS  98  -6.834 -21.366   1.066
  801   1HD   LYS  98          HD2       LYS  98  -5.384 -21.088  -0.836
  802   2HD   LYS  98          HD1       LYS  98  -5.314 -22.765  -0.290
  803   1HE   LYS  98          HE2       LYS  98  -6.750 -23.468  -2.075
  804   2HE   LYS  98          HE1       LYS  98  -7.056 -21.798  -2.548
  805   1HZ   LYS  98          HZ1       LYS  98  -4.432 -23.184  -2.689
  806   2HZ   LYS  98          HZ2       LYS  98  -4.721 -21.581  -3.142
  807   3HZ   LYS  98          HZ3       LYS  98  -5.442 -22.846  -4.005
  808   1H    MET   1          HT1       MET   1  18.572  -3.536  -2.838
  809   2H    MET   1          HT2       MET   1  19.572  -4.398  -1.785
  810   3H    MET   1          HT3       MET   1  18.094  -3.791  -1.235
  811    HA   MET   1           HA       MET   1  18.593  -6.019  -3.095
  812   1HB   MET   1          HB2       MET   1  17.412  -5.713  -0.363
  813   2HB   MET   1          HB1       MET   1  16.694  -6.896  -1.430
  814   1HG   MET   1          HG2       MET   1  18.633  -7.560   0.197
  815   2HG   MET   1          HG1       MET   1  18.519  -8.271  -1.402
  816   1HE   MET   1          HE1       MET   1  21.417  -8.372   0.236
  817   2HE   MET   1          HE2       MET   1  22.294  -8.225  -1.288
  818   3HE   MET   1          HE3       MET   1  20.794  -9.152  -1.218
  819    H    ALA   2           HN       ALA   2  16.163  -7.131  -3.272
  820    HA   ALA   2           HA       ALA   2  14.583  -5.041  -4.595
  821   1HB   ALA   2          HB1       ALA   2  13.645  -6.949  -5.965
  822   2HB   ALA   2          HB2       ALA   2  14.927  -7.942  -5.272
  823   3HB   ALA   2          HB3       ALA   2  15.332  -6.535  -6.251
  824    H    ALA   3           HN       ALA   3  12.304  -5.085  -4.506
  825    HA   ALA   3           HA       ALA   3  11.228  -5.945  -1.992
  826   1HB   ALA   3          HB1       ALA   3   9.782  -4.921  -4.445
  827   2HB   ALA   3          HB2       ALA   3  10.430  -3.917  -3.148
  828   3HB   ALA   3          HB3       ALA   3   9.117  -5.046  -2.817
  829    H    GLU   4           HN       GLU   4  11.732  -8.171  -2.117
  830    HA   GLU   4           HA       GLU   4  10.704  -9.865  -4.152
  831   1HB   GLU   4          HB2       GLU   4  11.543 -10.768  -1.406
  832   2HB   GLU   4          HB1       GLU   4  11.673 -11.635  -2.930
  833   1HG   GLU   4          HG2       GLU   4  13.277  -9.257  -2.051
  834   2HG   GLU   4          HG1       GLU   4  13.847 -10.906  -2.232
  835    H    THR   5           HN       THR   5   9.839 -11.561  -1.391
  836    HA   THR   5           HA       THR   5   7.118 -11.407  -2.100
  837    HB   THR   5           HB       THR   5   8.171 -12.583   0.462
  838    HG1  THR   5           HG1      THR   5   9.411 -13.492  -1.124
  839   1HG2  THR   5          HG21      THR   5   6.264 -13.993   0.359
  840   2HG2  THR   5          HG22      THR   5   5.911 -13.518  -1.301
  841   3HG2  THR   5          HG23      THR   5   5.668 -12.369   0.015
  842    H    LEU   6           HN       LEU   6   6.834 -11.442   1.226
  843    HA   LEU   6           HA       LEU   6   5.451  -8.939   1.171
  844   1HB   LEU   6          HB2       LEU   6   5.945 -10.867   3.440
  845   2HB   LEU   6          HB1       LEU   6   4.853  -9.508   3.481
  846    HG   LEU   6           HG       LEU   6   3.895 -10.859   1.329
  847   1HD1  LEU   6          HD11      LEU   6   5.556 -12.698   1.926
  848   2HD1  LEU   6          HD12      LEU   6   3.873 -13.171   1.711
  849   3HD1  LEU   6          HD13      LEU   6   4.539 -12.996   3.334
  850   1HD2  LEU   6          HD21      LEU   6   2.100 -11.566   2.815
  851   2HD2  LEU   6          HD22      LEU   6   2.604  -9.914   3.170
  852   3HD2  LEU   6          HD23      LEU   6   3.120 -11.237   4.215
  853    H    THR   7           HN       THR   7   6.955  -7.261   1.005
  854    HA   THR   7           HA       THR   7   9.296  -7.115   2.611
  855    HB   THR   7           HB       THR   7   8.411  -4.474   1.945
  856    HG1  THR   7           HG1      THR   7   7.183  -4.962   0.277
  857   1HG2  THR   7          HG21      THR   7  10.762  -5.607   2.005
  858   2HG2  THR   7          HG22      THR   7  10.444  -4.311   0.854
  859   3HG2  THR   7          HG23      THR   7  10.418  -5.991   0.312
  860    H    GLU   8           HN       GLU   8   9.624  -5.268   4.217
  861    HA   GLU   8           HA       GLU   8   8.276  -5.675   6.513
  862   1HB   GLU   8          HB2       GLU   8   9.169  -2.916   5.697
  863   2HB   GLU   8          HB1       GLU   8   9.032  -3.546   7.330
  864   1HG   GLU   8          HG2       GLU   8  11.023  -4.370   5.233
  865   2HG   GLU   8          HG1       GLU   8  11.338  -3.460   6.711
  866    H    LEU   9           HN       LEU   9   7.140  -3.746   3.847
  867    HA   LEU   9           HA       LEU   9   5.166  -2.247   5.094
  868   1HB   LEU   9          HB2       LEU   9   4.864  -3.417   2.353
  869   2HB   LEU   9          HB1       LEU   9   4.287  -1.875   2.943
  870    HG   LEU   9           HG       LEU   9   7.038  -2.657   2.071
  871   1HD1  LEU   9          HD11      LEU   9   6.710  -0.182   1.214
  872   2HD1  LEU   9          HD12      LEU   9   5.008  -0.610   1.400
  873   3HD1  LEU   9          HD13      LEU   9   6.051  -1.571   0.353
  874   1HD2  LEU   9          HD21      LEU   9   7.395  -0.154   3.123
  875   2HD2  LEU   9          HD22      LEU   9   7.955  -1.659   3.847
  876   3HD2  LEU   9          HD23      LEU   9   6.422  -0.951   4.356
  877    H    GLU  10           HN       GLU  10   5.147  -5.660   4.269
  878    HA   GLU  10           HA       GLU  10   2.408  -6.139   4.156
  879   1HB   GLU  10          HB2       GLU  10   3.063  -8.386   5.294
  880   2HB   GLU  10          HB1       GLU  10   3.679  -8.019   3.683
  881   1HG   GLU  10          HG2       GLU  10   5.775  -8.108   4.394
  882   2HG   GLU  10          HG1       GLU  10   5.439  -7.000   5.721
  883    H    ALA  11           HN       ALA  11   4.526  -5.577   6.902
  884    HA   ALA  11           HA       ALA  11   2.771  -6.226   8.984
  885   1HB   ALA  11          HB1       ALA  11   4.758  -3.950   8.991
  886   2HB   ALA  11          HB2       ALA  11   5.194  -5.637   9.246
  887   3HB   ALA  11          HB3       ALA  11   4.129  -4.823  10.389
  888    H    ALA  12           HN       ALA  12   3.131  -3.378   6.982
  889    HA   ALA  12           HA       ALA  12   1.285  -1.737   8.340
  890   1HB   ALA  12          HB1       ALA  12   2.941  -0.903   6.688
  891   2HB   ALA  12          HB2       ALA  12   1.299  -0.353   6.359
  892   3HB   ALA  12          HB3       ALA  12   1.996  -1.662   5.407
  893    H    ILE  13           HN       ILE  13   0.963  -4.364   6.100
  894    HA   ILE  13           HA       ILE  13  -1.559  -3.928   5.083
  895    HB   ILE  13           HB       ILE  13   0.189  -5.934   4.787
  896   1HG1  ILE  13          HG12      ILE  13  -1.695  -5.277   3.301
  897   2HG1  ILE  13          HG11      ILE  13  -1.441  -7.017   3.381
  898   1HG2  ILE  13          HG21      ILE  13  -2.010  -7.345   6.268
  899   2HG2  ILE  13          HG22      ILE  13  -0.501  -6.882   7.049
  900   3HG2  ILE  13          HG23      ILE  13  -0.479  -7.999   5.686
  901   1HD1  ILE  13          HD11      ILE  13  -3.788  -6.557   3.433
  902   2HD1  ILE  13          HD12      ILE  13  -3.584  -5.432   4.774
  903   3HD1  ILE  13          HD13      ILE  13  -3.295  -7.155   5.017
  904    H    GLU  14           HN       GLU  14  -0.539  -4.803   8.265
  905    HA   GLU  14           HA       GLU  14  -2.959  -5.809   9.290
  906   1HB   GLU  14          HB2       GLU  14  -0.704  -4.415  10.743
  907   2HB   GLU  14          HB1       GLU  14  -1.967  -5.379  11.496
  908   1HG   GLU  14          HG2       GLU  14   0.107  -6.377   9.557
  909   2HG   GLU  14          HG1       GLU  14   0.099  -6.635  11.301
  910    H    THR  15           HN       THR  15  -1.689  -2.500   9.029
  911    HA   THR  15           HA       THR  15  -3.751  -1.383  10.600
  912    HB   THR  15           HB       THR  15  -1.946  -0.043   8.602
  913    HG1  THR  15           HG1      THR  15  -0.871   0.579  10.668
  914   1HG2  THR  15          HG21      THR  15  -3.616   1.111  10.840
  915   2HG2  THR  15          HG22      THR  15  -3.901   1.319   9.112
  916   3HG2  THR  15          HG23      THR  15  -2.463   2.017   9.858
  917    H    VAL  16           HN       VAL  16  -3.017  -1.204   7.156
  918    HA   VAL  16           HA       VAL  16  -5.379  -0.015   6.263
  919    HB   VAL  16           HB       VAL  16  -3.374  -0.183   4.890
  920   1HG1  VAL  16          HG11      VAL  16  -2.606  -2.367   5.627
  921   2HG1  VAL  16          HG12      VAL  16  -2.721  -2.312   3.869
  922   3HG1  VAL  16          HG13      VAL  16  -3.961  -3.142   4.807
  923   1HG2  VAL  16          HG21      VAL  16  -6.005  -1.054   3.962
  924   2HG2  VAL  16          HG22      VAL  16  -4.685  -1.570   2.912
  925   3HG2  VAL  16          HG23      VAL  16  -4.898   0.139   3.285
  926    H    VAL  17           HN       VAL  17  -4.699  -3.370   7.061
  927    HA   VAL  17           HA       VAL  17  -7.105  -4.309   5.813
  928    HB   VAL  17           HB       VAL  17  -5.074  -5.746   6.097
  929   1HG1  VAL  17          HG11      VAL  17  -6.047  -6.088   8.925
  930   2HG1  VAL  17          HG12      VAL  17  -4.672  -5.088   8.477
  931   3HG1  VAL  17          HG13      VAL  17  -4.628  -6.822   8.177
  932   1HG2  VAL  17          HG21      VAL  17  -6.364  -7.783   6.572
  933   2HG2  VAL  17          HG22      VAL  17  -7.212  -6.690   5.477
  934   3HG2  VAL  17          HG23      VAL  17  -7.689  -6.784   7.173
  935    H    SER  18           HN       SER  18  -6.083  -3.337   9.003
  936    HA   SER  18           HA       SER  18  -8.494  -4.233  10.304
  937   1HB   SER  18          HB2       SER  18  -6.414  -4.290  11.543
  938   2HB   SER  18          HB1       SER  18  -6.186  -2.558  11.304
  939    HG   SER  18           HG       SER  18  -7.676  -3.868  13.160
  940    H    THR  19           HN       THR  19  -7.502  -1.328   8.709
  941    HA   THR  19           HA       THR  19  -9.403   0.301  10.147
  942    HB   THR  19           HB       THR  19  -8.732   2.138   8.659
  943    HG1  THR  19           HG1      THR  19  -7.321   0.051   7.371
  944   1HG2  THR  19          HG21      THR  19  -6.556   0.550  10.000
  945   2HG2  THR  19          HG22      THR  19  -7.453   1.927  10.639
  946   3HG2  THR  19          HG23      THR  19  -6.291   2.160   9.333
  947    H    PHE  20           HN       PHE  20  -9.086   0.444   6.665
  948    HA   PHE  20           HA       PHE  20 -11.934   0.767   6.392
  949   1HB   PHE  20          HB2       PHE  20 -10.794   2.203   5.003
  950   2HB   PHE  20          HB1       PHE  20  -9.505   1.042   4.730
  951    HD1  PHE  20           HD1      PHE  20 -13.137   1.397   3.952
  952    HD2  PHE  20           HD2      PHE  20  -9.272   0.239   2.647
  953    HE1  PHE  20           HE1      PHE  20 -14.041   0.901   1.727
  954    HE2  PHE  20           HE2      PHE  20 -10.163  -0.288   0.421
  955    HZ   PHE  20           HZ       PHE  20 -12.552   0.035  -0.040
  956    H    PHE  21           HN       PHE  21  -9.611  -1.689   5.829
  957    HA   PHE  21           HA       PHE  21 -11.194  -3.236   4.138
  958   1HB   PHE  21          HB2       PHE  21  -8.775  -3.746   5.817
  959   2HB   PHE  21          HB1       PHE  21  -9.449  -5.016   4.835
  960    HD1  PHE  21           HD1      PHE  21  -6.994  -4.923   3.996
  961    HD2  PHE  21           HD2      PHE  21  -9.844  -1.842   3.306
  962    HE1  PHE  21           HE1      PHE  21  -5.606  -4.044   2.195
  963    HE2  PHE  21           HE2      PHE  21  -8.453  -0.984   1.473
  964    HZ   PHE  21           HZ       PHE  21  -6.330  -2.079   0.908
  965    H    THR  22           HN       THR  22 -11.144  -2.827   7.527
  966    HA   THR  22           HA       THR  22 -12.293  -5.311   8.227
  967    HB   THR  22           HB       THR  22 -13.032  -4.132  10.302
  968    HG1  THR  22           HG1      THR  22 -12.900  -2.005   8.886
  969   1HG2  THR  22          HG21      THR  22 -10.174  -3.806   9.414
  970   2HG2  THR  22          HG22      THR  22 -10.883  -5.240  10.153
  971   3HG2  THR  22          HG23      THR  22 -10.727  -3.757  11.091
  972    H    PHE  23           HN       PHE  23 -13.500  -2.488   6.711
  973    HA   PHE  23           HA       PHE  23 -16.220  -2.736   7.350
  974   1HB   PHE  23          HB2       PHE  23 -16.257  -0.829   6.164
  975   2HB   PHE  23          HB1       PHE  23 -14.587  -1.118   5.698
  976    HD1  PHE  23           HD1      PHE  23 -17.831  -2.674   4.558
  977    HD2  PHE  23           HD2      PHE  23 -14.278  -0.555   3.572
  978    HE1  PHE  23           HE1      PHE  23 -18.424  -2.805   2.192
  979    HE2  PHE  23           HE2      PHE  23 -14.884  -0.679   1.198
  980    HZ   PHE  23           HZ       PHE  23 -16.959  -1.790   0.519
  981    H    ALA  24           HN       ALA  24 -14.124  -4.529   5.259
  982    HA   ALA  24           HA       ALA  24 -15.633  -5.805   3.418
  983   1HB   ALA  24          HB1       ALA  24 -13.255  -6.312   4.126
  984   2HB   ALA  24          HB2       ALA  24 -14.233  -7.694   3.644
  985   3HB   ALA  24          HB3       ALA  24 -13.945  -7.370   5.354
  986    H    GLY  25           HN       GLY  25 -15.556  -6.548   6.859
  987   1HA   GLY  25          HA2       GLY  25 -17.193  -8.638   7.211
  988   2HA   GLY  25          HA1       GLY  25 -17.287  -7.226   8.254
  989    H    ARG  26           HN       ARG  26 -18.233  -5.495   6.052
  990    HA   ARG  26           HA       ARG  26 -20.941  -5.539   6.388
  991   1HB   ARG  26          HB2       ARG  26 -19.202  -4.532   4.167
  992   2HB   ARG  26          HB1       ARG  26 -20.942  -4.524   3.947
  993   1HG   ARG  26          HG2       ARG  26 -19.709  -3.307   6.380
  994   2HG   ARG  26          HG1       ARG  26 -19.784  -2.419   4.855
  995   1HD   ARG  26          HD2       ARG  26 -21.751  -1.788   5.905
  996   2HD   ARG  26          HD1       ARG  26 -22.258  -3.107   4.849
  997    HE   ARG  26           HE       ARG  26 -21.567  -4.041   7.450
  998   1HH1  ARG  26          HH11      ARG  26 -24.086  -2.482   5.624
  999   2HH1  ARG  26          HH12      ARG  26 -25.359  -3.038   6.659
 1000   1HH2  ARG  26          HH21      ARG  26 -23.231  -4.779   8.820
 1001   2HH2  ARG  26          HH22      ARG  26 -24.873  -4.345   8.477
 1002    H    GLU  27           HN       GLU  27 -19.006  -7.359   4.121
 1003    HA   GLU  27           HA       GLU  27 -21.315  -8.620   2.902
 1004   1HB   GLU  27          HB2       GLU  27 -18.367  -9.237   2.606
 1005   2HB   GLU  27          HB1       GLU  27 -19.657  -9.910   1.617
 1006   1HG   GLU  27          HG2       GLU  27 -18.910  -7.000   1.783
 1007   2HG   GLU  27          HG1       GLU  27 -18.479  -8.106   0.479
 1008    H    GLY  28           HN       GLY  28 -22.004 -10.715   3.188
 1009   1HA   GLY  28          HA2       GLY  28 -21.944 -11.856   5.689
 1010   2HA   GLY  28          HA1       GLY  28 -22.322 -12.740   4.222
 1011    H    ARG  29           HN       ARG  29 -20.830 -14.103   3.334
 1012    HA   ARG  29           HA       ARG  29 -19.125 -15.498   4.907
 1013   1HB   ARG  29          HB2       ARG  29 -19.796 -16.193   2.643
 1014   2HB   ARG  29          HB1       ARG  29 -18.743 -14.966   1.953
 1015   1HG   ARG  29          HG2       ARG  29 -16.778 -16.109   2.792
 1016   2HG   ARG  29          HG1       ARG  29 -17.798 -17.279   3.638
 1017   1HD   ARG  29          HD2       ARG  29 -16.860 -18.116   1.494
 1018   2HD   ARG  29          HD1       ARG  29 -18.622 -18.159   1.571
 1019    HE   ARG  29           HE       ARG  29 -17.862 -15.743   0.394
 1020   1HH1  ARG  29          HH11      ARG  29 -17.758 -19.157  -0.280
 1021   2HH1  ARG  29          HH12      ARG  29 -17.821 -18.953  -1.999
 1022   1HH2  ARG  29          HH21      ARG  29 -17.947 -15.460  -1.868
 1023   2HH2  ARG  29          HH22      ARG  29 -17.929 -16.850  -2.902
 1024    H    LYS  30           HN       LYS  30 -16.701 -15.707   4.726
 1025    HA   LYS  30           HA       LYS  30 -15.505 -13.054   5.093
 1026   1HB   LYS  30          HB2       LYS  30 -14.231 -15.750   5.633
 1027   2HB   LYS  30          HB1       LYS  30 -13.749 -14.182   6.268
 1028   1HG   LYS  30          HG2       LYS  30 -15.800 -14.080   7.587
 1029   2HG   LYS  30          HG1       LYS  30 -16.292 -15.648   6.941
 1030   1HD   LYS  30          HD2       LYS  30 -14.278 -16.663   7.928
 1031   2HD   LYS  30          HD1       LYS  30 -13.838 -15.095   8.610
 1032   1HE   LYS  30          HE2       LYS  30 -15.924 -15.084   9.899
 1033   2HE   LYS  30          HE1       LYS  30 -16.345 -16.657   9.225
 1034   1HZ   LYS  30          HZ1       LYS  30 -14.366 -17.585  10.270
 1035   2HZ   LYS  30          HZ2       LYS  30 -15.383 -16.880  11.423
 1036   3HZ   LYS  30          HZ3       LYS  30 -13.982 -16.074  10.929
 1037    H    GLY  31           HN       GLY  31 -16.016 -13.376   2.529
 1038   1HA   GLY  31          HA2       GLY  31 -13.612 -14.439   1.190
 1039   2HA   GLY  31          HA1       GLY  31 -15.116 -13.969   0.401
 1040    H    SER  32           HN       SER  32 -15.609 -11.631   0.358
 1041    HA   SER  32           HA       SER  32 -13.177 -10.057   0.693
 1042   1HB   SER  32          HB2       SER  32 -12.789 -10.176  -1.499
 1043   2HB   SER  32          HB1       SER  32 -14.414 -10.759  -1.860
 1044    HG   SER  32           HG       SER  32 -14.992  -8.791  -2.342
 1045    H    LEU  33           HN       LEU  33 -13.595  -7.776   0.089
 1046    HA   LEU  33           HA       LEU  33 -15.872  -6.845   1.622
 1047   1HB   LEU  33          HB2       LEU  33 -13.785  -5.935   2.277
 1048   2HB   LEU  33          HB1       LEU  33 -13.332  -5.647   0.621
 1049    HG   LEU  33           HG       LEU  33 -15.689  -4.161   1.607
 1050   1HD1  LEU  33          HD11      LEU  33 -13.591  -2.538   2.312
 1051   2HD1  LEU  33          HD12      LEU  33 -13.127  -4.108   2.930
 1052   3HD1  LEU  33          HD13      LEU  33 -14.653  -3.408   3.415
 1053   1HD2  LEU  33          HD21      LEU  33 -14.542  -4.072  -0.705
 1054   2HD2  LEU  33          HD22      LEU  33 -13.304  -3.123   0.114
 1055   3HD2  LEU  33          HD23      LEU  33 -14.963  -2.555   0.079
 1056    H    ASN  34           HN       ASN  34 -17.222  -5.027   0.771
 1057    HA   ASN  34           HA       ASN  34 -17.176  -5.097  -2.158
 1058   1HB   ASN  34          HB2       ASN  34 -19.046  -6.389  -1.032
 1059   2HB   ASN  34          HB1       ASN  34 -19.661  -4.843  -0.461
 1060   1HD2  ASN  34          HD21      ASN  34 -21.585  -5.149  -1.593
 1061   2HD2  ASN  34          HD22      ASN  34 -21.675  -4.971  -3.309
 1062    H    ILE  35           HN       ILE  35 -19.603  -3.093  -1.296
 1063    HA   ILE  35           HA       ILE  35 -17.897  -0.805  -0.861
 1064    HB   ILE  35           HB       ILE  35 -18.926   0.531  -2.587
 1065   1HG1  ILE  35          HG12      ILE  35 -21.074  -0.573  -2.834
 1066   2HG1  ILE  35          HG11      ILE  35 -20.242  -0.558  -4.383
 1067   1HG2  ILE  35          HG21      ILE  35 -17.920  -1.870  -4.017
 1068   2HG2  ILE  35          HG22      ILE  35 -16.874  -1.074  -2.844
 1069   3HG2  ILE  35          HG23      ILE  35 -17.496  -0.171  -4.221
 1070   1HD1  ILE  35          HD11      ILE  35 -20.962  -2.693  -4.394
 1071   2HD1  ILE  35          HD12      ILE  35 -20.963  -2.818  -2.635
 1072   3HD1  ILE  35          HD13      ILE  35 -19.445  -2.935  -3.526
 1073    H    ASN  36           HN       ASN  36 -19.692  -2.122   0.867
 1074    HA   ASN  36           HA       ASN  36 -22.052  -0.481   1.058
 1075   1HB   ASN  36          HB2       ASN  36 -20.951  -2.462   3.067
 1076   2HB   ASN  36          HB1       ASN  36 -22.559  -1.743   3.073
 1077   1HD2  ASN  36          HD21      ASN  36 -23.568  -3.733   2.995
 1078   2HD2  ASN  36          HD22      ASN  36 -23.592  -4.702   1.565
 1079    H    GLU  37           HN       GLU  37 -19.415  -1.148   3.433
 1080    HA   GLU  37           HA       GLU  37 -19.889   1.514   4.430
 1081   1HB   GLU  37          HB2       GLU  37 -17.955  -0.598   5.246
 1082   2HB   GLU  37          HB1       GLU  37 -17.773   1.047   5.802
 1083   1HG   GLU  37          HG2       GLU  37 -19.917   0.997   6.840
 1084   2HG   GLU  37          HG1       GLU  37 -20.263  -0.584   6.140
 1085    H    PHE  38           HN       PHE  38 -18.014   0.257   1.870
 1086    HA   PHE  38           HA       PHE  38 -15.834   1.956   1.782
 1087   1HB   PHE  38          HB2       PHE  38 -16.495   0.130   0.110
 1088   2HB   PHE  38          HB1       PHE  38 -17.543   1.321  -0.634
 1089    HD1  PHE  38           HD1      PHE  38 -14.544  -0.245  -0.923
 1090    HD2  PHE  38           HD2      PHE  38 -16.187   3.665  -0.997
 1091    HE1  PHE  38           HE1      PHE  38 -12.622   0.530  -2.257
 1092    HE2  PHE  38           HE2      PHE  38 -14.275   4.452  -2.313
 1093    HZ   PHE  38           HZ       PHE  38 -12.485   2.890  -2.951
 1094    H    LYS  39           HN       LYS  39 -19.218   2.456   1.187
 1095    HA   LYS  39           HA       LYS  39 -19.162   4.952  -0.038
 1096   1HB   LYS  39          HB2       LYS  39 -21.315   4.098   1.872
 1097   2HB   LYS  39          HB1       LYS  39 -21.466   5.089   0.428
 1098   1HG   LYS  39          HG2       LYS  39 -20.365   2.641  -0.365
 1099   2HG   LYS  39          HG1       LYS  39 -21.736   2.283   0.685
 1100   1HD   LYS  39          HD2       LYS  39 -21.791   4.080  -1.735
 1101   2HD   LYS  39          HD1       LYS  39 -22.429   2.435  -1.646
 1102   1HE   LYS  39          HE2       LYS  39 -24.040   3.119   0.029
 1103   2HE   LYS  39          HE1       LYS  39 -23.371   4.750   0.044
 1104   1HZ   LYS  39          HZ1       LYS  39 -25.402   4.569  -1.292
 1105   2HZ   LYS  39          HZ2       LYS  39 -24.637   3.459  -2.313
 1106   3HZ   LYS  39          HZ3       LYS  39 -24.075   5.051  -2.225
 1107    H    GLU  40           HN       GLU  40 -18.393   4.064   3.107
 1108    HA   GLU  40           HA       GLU  40 -18.821   6.640   4.303
 1109   1HB   GLU  40          HB2       GLU  40 -17.152   4.339   5.314
 1110   2HB   GLU  40          HB1       GLU  40 -17.846   5.649   6.268
 1111   1HG   GLU  40          HG2       GLU  40 -19.439   3.601   4.763
 1112   2HG   GLU  40          HG1       GLU  40 -19.025   3.472   6.472
 1113    H    LEU  41           HN       LEU  41 -16.662   5.484   2.059
 1114    HA   LEU  41           HA       LEU  41 -14.275   6.611   3.149
 1115   1HB   LEU  41          HB2       LEU  41 -14.878   5.476   0.430
 1116   2HB   LEU  41          HB1       LEU  41 -13.294   6.021   0.940
 1117    HG   LEU  41           HG       LEU  41 -14.847   3.627   1.842
 1118   1HD1  LEU  41          HD11      LEU  41 -12.185   2.993   1.476
 1119   2HD1  LEU  41          HD12      LEU  41 -12.513   4.175   0.208
 1120   3HD1  LEU  41          HD13      LEU  41 -13.494   2.715   0.328
 1121   1HD2  LEU  41          HD21      LEU  41 -13.258   3.276   3.628
 1122   2HD2  LEU  41          HD22      LEU  41 -14.045   4.831   3.854
 1123   3HD2  LEU  41          HD23      LEU  41 -12.404   4.756   3.210
 1124    H    ALA  42           HN       ALA  42 -15.271   7.177  -0.176
 1125    HA   ALA  42           HA       ALA  42 -14.199   9.664  -0.451
 1126   1HB   ALA  42          HB1       ALA  42 -15.817  10.112  -2.207
 1127   2HB   ALA  42          HB2       ALA  42 -16.758   8.733  -1.658
 1128   3HB   ALA  42          HB3       ALA  42 -15.145   8.490  -2.308
 1129    H    THR  43           HN       THR  43 -17.157   8.857   1.109
 1130    HA   THR  43           HA       THR  43 -18.311  11.352   1.313
 1131    HB   THR  43           HB       THR  43 -19.131  10.362   3.629
 1132    HG1  THR  43           HG1      THR  43 -18.266   7.993   2.283
 1133   1HG2  THR  43          HG21      THR  43 -20.578  10.614   1.723
 1134   2HG2  THR  43          HG22      THR  43 -20.787   8.984   2.363
 1135   3HG2  THR  43          HG23      THR  43 -19.820   9.245   0.912
 1136    H    GLN  44           HN       GLN  44 -16.229   9.737   3.696
 1137    HA   GLN  44           HA       GLN  44 -15.684  12.221   5.095
 1138   1HB   GLN  44          HB2       GLN  44 -15.899  10.221   6.423
 1139   2HB   GLN  44          HB1       GLN  44 -14.714   9.374   5.432
 1140   1HG   GLN  44          HG2       GLN  44 -13.717   9.995   7.528
 1141   2HG   GLN  44          HG1       GLN  44 -12.983  10.940   6.234
 1142   1HE2  GLN  44          HE21      GLN  44 -13.403  13.145   6.100
 1143   2HE2  GLN  44          HE22      GLN  44 -14.078  14.034   7.418
 1144    H    GLN  45           HN       GLN  45 -14.057  10.059   2.852
 1145    HA   GLN  45           HA       GLN  45 -11.494  11.172   3.050
 1146   1HB   GLN  45          HB2       GLN  45 -12.879   9.786   0.774
 1147   2HB   GLN  45          HB1       GLN  45 -11.164  10.133   0.803
 1148   1HG   GLN  45          HG2       GLN  45 -12.629   7.904   1.881
 1149   2HG   GLN  45          HG1       GLN  45 -10.893   8.108   1.670
 1150   1HE2  GLN  45          HE21      GLN  45 -13.579   8.498   3.831
 1151   2HE2  GLN  45          HE22      GLN  45 -12.665   8.625   5.288
 1152    H    LEU  46           HN       LEU  46 -14.476  12.137   1.529
 1153    HA   LEU  46           HA       LEU  46 -13.706  13.851  -0.454
 1154   1HB   LEU  46          HB2       LEU  46 -16.029  13.686   1.330
 1155   2HB   LEU  46          HB1       LEU  46 -15.683  15.317   0.809
 1156    HG   LEU  46           HG       LEU  46 -16.507  12.964  -0.862
 1157   1HD1  LEU  46          HD11      LEU  46 -17.511  15.786  -0.567
 1158   2HD1  LEU  46          HD12      LEU  46 -18.276  14.322   0.053
 1159   3HD1  LEU  46          HD13      LEU  46 -18.158  14.587  -1.687
 1160   1HD2  LEU  46          HD21      LEU  46 -16.132  14.552  -2.817
 1161   2HD2  LEU  46          HD22      LEU  46 -14.715  13.755  -2.137
 1162   3HD2  LEU  46          HD23      LEU  46 -15.055  15.438  -1.738
 1163    HA   PRO  47           HA       PRO  47 -12.581  17.334   2.415
 1164   1HB   PRO  47          HB2       PRO  47 -13.337  17.494   4.970
 1165   2HB   PRO  47          HB1       PRO  47 -14.459  17.923   3.673
 1166   1HG   PRO  47          HG2       PRO  47 -14.268  15.395   5.266
 1167   2HG   PRO  47          HG1       PRO  47 -15.712  16.303   4.782
 1168   1HD   PRO  47          HD2       PRO  47 -14.796  14.077   3.465
 1169   2HD   PRO  47          HD1       PRO  47 -15.752  15.360   2.705
 1170    H    HIS  48           HN       HIS  48 -10.710  16.252   2.123
 1171    HA   HIS  48           HA       HIS  48  -9.472  14.988   4.425
 1172   1HB   HIS  48          HB2       HIS  48  -9.378  14.738   1.598
 1173   2HB   HIS  48          HB1       HIS  48  -7.742  15.069   2.202
 1174    HD1  HIS  48           HD1      HIS  48 -10.045  12.354   1.673
 1175    HD2  HIS  48           HD2      HIS  48  -7.069  13.207   4.440
 1176    HE1  HIS  48           HE1      HIS  48  -9.513  10.165   2.784
 1177    HE2  HIS  48           HE2      HIS  48  -7.796  10.731   4.536
 1178    H    LEU  49           HN       LEU  49  -6.849  15.610   3.897
 1179    HA   LEU  49           HA       LEU  49  -6.704  18.385   4.683
 1180   1HB   LEU  49          HB2       LEU  49  -4.587  16.270   4.221
 1181   2HB   LEU  49          HB1       LEU  49  -4.200  17.928   4.639
 1182    HG   LEU  49           HG       LEU  49  -5.704  15.943   6.343
 1183   1HD1  LEU  49          HD11      LEU  49  -3.283  15.605   6.258
 1184   2HD1  LEU  49          HD12      LEU  49  -3.805  16.168   7.846
 1185   3HD1  LEU  49          HD13      LEU  49  -3.032  17.288   6.723
 1186   1HD2  LEU  49          HD21      LEU  49  -5.735  17.703   8.048
 1187   2HD2  LEU  49          HD22      LEU  49  -6.659  18.164   6.617
 1188   3HD2  LEU  49          HD23      LEU  49  -5.052  18.838   6.882
 1189    H    LEU  50           HN       LEU  50  -4.669  16.688   2.337
 1190    HA   LEU  50           HA       LEU  50  -4.953  18.879   0.441
 1191   1HB   LEU  50          HB2       LEU  50  -3.199  17.811  -0.823
 1192   2HB   LEU  50          HB1       LEU  50  -2.724  17.899   0.861
 1193    HG   LEU  50           HG       LEU  50  -3.967  15.385  -0.182
 1194   1HD1  LEU  50          HD11      LEU  50  -1.169  16.352  -0.665
 1195   2HD1  LEU  50          HD12      LEU  50  -2.315  15.667  -1.817
 1196   3HD1  LEU  50          HD13      LEU  50  -1.564  14.635  -0.599
 1197   1HD2  LEU  50          HD21      LEU  50  -2.333  16.244   2.133
 1198   2HD2  LEU  50          HD22      LEU  50  -2.031  14.631   1.491
 1199   3HD2  LEU  50          HD23      LEU  50  -3.647  15.070   2.042
 1200    H    LYS  51           HN       LYS  51  -7.368  17.795   0.719
 1201    HA   LYS  51           HA       LYS  51  -8.222  15.549  -0.416
 1202   1HB   LYS  51          HB2       LYS  51  -9.779  17.038   0.569
 1203   2HB   LYS  51          HB1       LYS  51  -9.456  18.280  -0.635
 1204   1HG   LYS  51          HG2       LYS  51 -10.384  16.737  -2.357
 1205   2HG   LYS  51          HG1       LYS  51 -10.885  15.638  -1.067
 1206   1HD   LYS  51          HD2       LYS  51 -12.031  18.209  -2.004
 1207   2HD   LYS  51          HD1       LYS  51 -12.827  16.812  -1.290
 1208   1HE   LYS  51          HE2       LYS  51 -11.789  17.589   0.909
 1209   2HE   LYS  51          HE1       LYS  51 -11.462  19.105   0.085
 1210   1HZ   LYS  51          HZ1       LYS  51 -13.822  19.332  -0.367
 1211   2HZ   LYS  51          HZ2       LYS  51 -13.551  19.187   1.296
 1212   3HZ   LYS  51          HZ3       LYS  51 -14.142  17.868   0.419
 1213    H    ASP  52           HN       ASP  52  -9.150  14.947  -2.386
 1214    HA   ASP  52           HA       ASP  52  -7.734  16.000  -4.739
 1215   1HB   ASP  52          HB2       ASP  52  -7.237  13.649  -4.261
 1216   2HB   ASP  52          HB1       ASP  52  -8.958  13.268  -4.263
 1217    H    VAL  53           HN       VAL  53 -10.808  15.182  -3.366
 1218    HA   VAL  53           HA       VAL  53 -12.797  16.301  -3.721
 1219    HB   VAL  53           HB       VAL  53 -11.868  16.632  -6.526
 1220   1HG1  VAL  53          HG11      VAL  53 -14.358  17.624  -5.171
 1221   2HG1  VAL  53          HG12      VAL  53 -14.265  16.466  -6.496
 1222   3HG1  VAL  53          HG13      VAL  53 -13.818  18.150  -6.765
 1223   1HG2  VAL  53          HG21      VAL  53 -12.240  18.782  -4.466
 1224   2HG2  VAL  53          HG22      VAL  53 -11.492  18.934  -6.056
 1225   3HG2  VAL  53          HG23      VAL  53 -10.687  18.015  -4.787
 1226    H    GLY  54           HN       GLY  54 -13.177  14.034  -3.228
 1227   1HA   GLY  54          HA2       GLY  54 -13.620  12.028  -5.094
 1228   2HA   GLY  54          HA1       GLY  54 -14.436  12.148  -3.548
 1229    H    SER  55           HN       SER  55 -14.626  12.725  -6.944
 1230    HA   SER  55           HA       SER  55 -16.933  14.260  -7.116
 1231   1HB   SER  55          HB2       SER  55 -15.360  13.587  -8.967
 1232   2HB   SER  55          HB1       SER  55 -16.188  12.031  -9.009
 1233    HG   SER  55           HG       SER  55 -17.095  13.452 -10.527
 1234    H    LEU  56           HN       LEU  56 -19.118  13.755  -7.355
 1235    HA   LEU  56           HA       LEU  56 -20.133  11.814  -5.633
 1236   1HB   LEU  56          HB2       LEU  56 -21.242  13.935  -6.545
 1237   2HB   LEU  56          HB1       LEU  56 -21.679  12.966  -7.938
 1238    HG   LEU  56           HG       LEU  56 -23.534  13.121  -6.370
 1239   1HD1  LEU  56          HD11      LEU  56 -22.387  10.338  -6.291
 1240   2HD1  LEU  56          HD12      LEU  56 -23.162  11.048  -7.707
 1241   3HD1  LEU  56          HD13      LEU  56 -24.086  10.804  -6.225
 1242   1HD2  LEU  56          HD21      LEU  56 -23.408  12.159  -4.147
 1243   2HD2  LEU  56          HD22      LEU  56 -22.211  13.442  -4.326
 1244   3HD2  LEU  56          HD23      LEU  56 -21.710  11.753  -4.396
 1245    H    ASP  57           HN       ASP  57 -20.280  11.805  -9.204
 1246    HA   ASP  57           HA       ASP  57 -21.368   9.247  -9.428
 1247   1HB   ASP  57          HB2       ASP  57 -19.956  11.077 -11.273
 1248   2HB   ASP  57          HB1       ASP  57 -20.092   9.382 -11.735
 1249    H    GLU  58           HN       GLU  58 -18.089  10.312  -9.512
 1250    HA   GLU  58           HA       GLU  58 -16.784   7.969 -10.195
 1251   1HB   GLU  58          HB2       GLU  58 -15.934  10.214  -8.361
 1252   2HB   GLU  58          HB1       GLU  58 -14.864   8.887  -8.805
 1253   1HG   GLU  58          HG2       GLU  58 -15.271   9.500 -11.204
 1254   2HG   GLU  58          HG1       GLU  58 -16.078  10.952 -10.618
 1255    H    LYS  59           HN       LYS  59 -18.169   9.043  -7.212
 1256    HA   LYS  59           HA       LYS  59 -17.160   6.907  -5.648
 1257   1HB   LYS  59          HB2       LYS  59 -19.410   8.857  -5.165
 1258   2HB   LYS  59          HB1       LYS  59 -18.802   7.727  -3.957
 1259   1HG   LYS  59          HG2       LYS  59 -16.864   8.863  -3.670
 1260   2HG   LYS  59          HG1       LYS  59 -16.851   9.517  -5.300
 1261   1HD   LYS  59          HD2       LYS  59 -17.220  11.297  -3.724
 1262   2HD   LYS  59          HD1       LYS  59 -18.697  11.026  -4.653
 1263   1HE   LYS  59          HE2       LYS  59 -19.511   9.587  -2.763
 1264   2HE   LYS  59          HE1       LYS  59 -18.117  10.139  -1.835
 1265   1HZ   LYS  59          HZ1       LYS  59 -18.909  12.406  -2.050
 1266   2HZ   LYS  59          HZ2       LYS  59 -20.097  11.436  -1.339
 1267   3HZ   LYS  59          HZ3       LYS  59 -20.236  11.889  -2.962
 1268    H    MET  60           HN       MET  60 -19.987   7.457  -7.598
 1269    HA   MET  60           HA       MET  60 -21.350   5.095  -6.624
 1270   1HB   MET  60          HB2       MET  60 -21.930   7.029  -8.872
 1271   2HB   MET  60          HB1       MET  60 -22.936   5.624  -8.533
 1272   1HG   MET  60          HG2       MET  60 -22.340   7.725  -6.474
 1273   2HG   MET  60          HG1       MET  60 -23.713   7.825  -7.576
 1274   1HE   MET  60          HE1       MET  60 -25.681   6.047  -7.637
 1275   2HE   MET  60          HE2       MET  60 -25.765   4.638  -6.580
 1276   3HE   MET  60          HE3       MET  60 -24.519   4.733  -7.824
 1277    H    LYS  61           HN       LYS  61 -19.244   5.969  -9.222
 1278    HA   LYS  61           HA       LYS  61 -19.684   3.548 -10.729
 1279   1HB   LYS  61          HB2       LYS  61 -19.117   5.443 -11.998
 1280   2HB   LYS  61          HB1       LYS  61 -17.732   5.823 -10.984
 1281   1HG   LYS  61          HG2       LYS  61 -16.917   4.921 -13.027
 1282   2HG   LYS  61          HG1       LYS  61 -16.695   3.697 -11.771
 1283   1HD   LYS  61          HD2       LYS  61 -18.611   2.478 -12.523
 1284   2HD   LYS  61          HD1       LYS  61 -19.054   3.766 -13.645
 1285   1HE   LYS  61          HE2       LYS  61 -18.005   1.911 -14.822
 1286   2HE   LYS  61          HE1       LYS  61 -17.007   3.361 -14.919
 1287   1HZ   LYS  61          HZ1       LYS  61 -15.620   2.484 -13.152
 1288   2HZ   LYS  61          HZ2       LYS  61 -15.681   1.399 -14.448
 1289   3HZ   LYS  61          HZ3       LYS  61 -16.581   1.095 -13.048
 1290    H    THR  62           HN       THR  62 -17.052   4.931  -8.803
 1291    HA   THR  62           HA       THR  62 -15.314   2.781  -8.920
 1292    HB   THR  62           HB       THR  62 -15.771   4.704  -6.634
 1293    HG1  THR  62           HG1      THR  62 -15.106   5.561  -8.717
 1294   1HG2  THR  62          HG21      THR  62 -14.575   2.880  -5.707
 1295   2HG2  THR  62          HG22      THR  62 -13.366   4.108  -6.080
 1296   3HG2  THR  62          HG23      THR  62 -13.568   2.716  -7.144
 1297    H    LEU  63           HN       LEU  63 -18.332   3.105  -7.290
 1298    HA   LEU  63           HA       LEU  63 -18.196   1.330  -5.209
 1299   1HB   LEU  63          HB2       LEU  63 -20.202   2.589  -6.721
 1300   2HB   LEU  63          HB1       LEU  63 -20.608   0.884  -6.730
 1301    HG   LEU  63           HG       LEU  63 -20.036   1.350  -4.086
 1302   1HD1  LEU  63          HD11      LEU  63 -21.380   3.778  -5.223
 1303   2HD1  LEU  63          HD12      LEU  63 -19.881   3.706  -4.298
 1304   3HD1  LEU  63          HD13      LEU  63 -21.417   3.339  -3.517
 1305   1HD2  LEU  63          HD21      LEU  63 -21.920   0.069  -5.102
 1306   2HD2  LEU  63          HD22      LEU  63 -22.751   1.602  -5.363
 1307   3HD2  LEU  63          HD23      LEU  63 -22.385   1.064  -3.724
 1308    H    ASP  64           HN       ASP  64 -18.739   0.632  -8.640
 1309    HA   ASP  64           HA       ASP  64 -18.739  -2.217  -8.213
 1310   1HB   ASP  64          HB2       ASP  64 -18.768  -0.513 -10.705
 1311   2HB   ASP  64          HB1       ASP  64 -18.793  -2.277 -10.738
 1312    H    VAL  65           HN       VAL  65 -16.518   0.191  -9.542
 1313    HA   VAL  65           HA       VAL  65 -14.520  -1.552 -10.455
 1314    HB   VAL  65           HB       VAL  65 -14.193   1.258  -9.392
 1315   1HG1  VAL  65          HG11      VAL  65 -12.068   0.075  -9.526
 1316   2HG1  VAL  65          HG12      VAL  65 -12.169   1.322 -10.768
 1317   3HG1  VAL  65          HG13      VAL  65 -12.408  -0.371 -11.198
 1318   1HG2  VAL  65          HG21      VAL  65 -14.374   1.956 -11.722
 1319   2HG2  VAL  65          HG22      VAL  65 -15.835   1.120 -11.196
 1320   3HG2  VAL  65          HG23      VAL  65 -14.657   0.285 -12.208
 1321    H    ASN  66           HN       ASN  66 -14.669   0.274  -7.398
 1322    HA   ASN  66           HA       ASN  66 -12.429  -1.162  -6.298
 1323   1HB   ASN  66          HB2       ASN  66 -14.232   1.012  -5.328
 1324   2HB   ASN  66          HB1       ASN  66 -13.229   0.126  -4.181
 1325   1HD2  ASN  66          HD21      ASN  66 -12.227   0.756  -7.480
 1326   2HD2  ASN  66          HD22      ASN  66 -10.974   1.873  -7.085
 1327    H    GLN  67           HN       GLN  67 -15.271  -2.392  -6.862
 1328    HA   GLN  67           HA       GLN  67 -16.637  -3.257  -4.730
 1329   1HB   GLN  67          HB2       GLN  67 -17.072  -4.034  -6.993
 1330   2HB   GLN  67          HB1       GLN  67 -15.561  -4.938  -6.995
 1331   1HG   GLN  67          HG2       GLN  67 -17.621  -5.547  -4.939
 1332   2HG   GLN  67          HG1       GLN  67 -17.839  -6.134  -6.584
 1333   1HE2  GLN  67          HE21      GLN  67 -16.098  -6.464  -3.623
 1334   2HE2  GLN  67          HE22      GLN  67 -15.171  -7.854  -4.062
 1335    H    ASP  68           HN       ASP  68 -13.880  -5.046  -5.975
 1336    HA   ASP  68           HA       ASP  68 -13.555  -6.549  -3.547
 1337   1HB   ASP  68          HB2       ASP  68 -12.230  -6.518  -6.239
 1338   2HB   ASP  68          HB1       ASP  68 -11.517  -7.400  -4.903
 1339    H    SER  69           HN       SER  69 -12.862  -3.475  -3.924
 1340    HA   SER  69           HA       SER  69 -10.229  -2.911  -3.829
 1341   1HB   SER  69          HB2       SER  69 -10.800  -1.109  -2.126
 1342   2HB   SER  69          HB1       SER  69 -11.805  -1.116  -3.575
 1343    HG   SER  69           HG       SER  69 -13.458  -1.400  -2.324
 1344    H    GLU  70           HN       GLU  70 -12.126  -4.430  -1.330
 1345    HA   GLU  70           HA       GLU  70  -9.627  -5.026   0.088
 1346   1HB   GLU  70          HB2       GLU  70 -10.662  -3.812   1.729
 1347   2HB   GLU  70          HB1       GLU  70 -12.252  -4.255   1.168
 1348   1HG   GLU  70          HG2       GLU  70 -11.872  -5.292   3.323
 1349   2HG   GLU  70          HG1       GLU  70 -11.911  -6.548   2.085
 1350    H    LEU  71           HN       LEU  71  -9.418  -7.103   0.910
 1351    HA   LEU  71           HA       LEU  71 -11.442  -9.000   0.051
 1352   1HB   LEU  71          HB2       LEU  71  -9.940  -8.830  -1.658
 1353   2HB   LEU  71          HB1       LEU  71  -8.564  -8.709  -0.599
 1354    HG   LEU  71           HG       LEU  71  -8.763 -10.718  -1.843
 1355   1HD1  LEU  71          HD11      LEU  71  -8.142 -10.554   0.881
 1356   2HD1  LEU  71          HD12      LEU  71  -7.360 -11.460  -0.402
 1357   3HD1  LEU  71          HD13      LEU  71  -8.711 -12.153   0.451
 1358   1HD2  LEU  71          HD21      LEU  71 -10.387 -12.409  -1.005
 1359   2HD2  LEU  71          HD22      LEU  71 -10.927 -11.199  -2.118
 1360   3HD2  LEU  71          HD23      LEU  71 -11.264 -11.020  -0.433
 1361    H    ARG  72           HN       ARG  72 -11.474 -10.973   1.112
 1362    HA   ARG  72           HA       ARG  72  -9.810 -11.317   3.495
 1363   1HB   ARG  72          HB2       ARG  72 -12.335 -12.841   3.104
 1364   2HB   ARG  72          HB1       ARG  72 -11.610 -12.266   4.596
 1365   1HG   ARG  72          HG2       ARG  72 -13.326 -10.808   2.637
 1366   2HG   ARG  72          HG1       ARG  72 -13.559 -11.020   4.368
 1367   1HD   ARG  72          HD2       ARG  72 -11.956  -9.042   2.878
 1368   2HD   ARG  72          HD1       ARG  72 -12.839  -8.896   4.393
 1369    HE   ARG  72           HE       ARG  72 -10.074  -9.509   4.102
 1370   1HH1  ARG  72          HH11      ARG  72 -12.874  -9.974   6.116
 1371   2HH1  ARG  72          HH12      ARG  72 -11.957 -10.204   7.566
 1372   1HH2  ARG  72          HH21      ARG  72  -8.851  -9.809   6.008
 1373   2HH2  ARG  72          HH22      ARG  72  -9.668 -10.109   7.506
 1374    H    PHE  73           HN       PHE  73 -11.183 -12.775   0.608
 1375    HA   PHE  73           HA       PHE  73  -9.619 -15.172   0.956
 1376   1HB   PHE  73          HB2       PHE  73 -11.047 -16.248  -0.548
 1377   2HB   PHE  73          HB1       PHE  73 -12.050 -15.142   0.337
 1378    HD1  PHE  73           HD1      PHE  73 -11.428 -16.444  -2.788
 1379    HD2  PHE  73           HD2      PHE  73 -12.429 -12.787  -0.878
 1380    HE1  PHE  73           HE1      PHE  73 -12.373 -15.588  -4.889
 1381    HE2  PHE  73           HE2      PHE  73 -13.346 -11.920  -2.936
 1382    HZ   PHE  73           HZ       PHE  73 -13.346 -13.324  -4.973
 1383    H    SER  74           HN       SER  74 -10.066 -13.758  -2.364
 1384    HA   SER  74           HA       SER  74  -7.148 -13.994  -2.523
 1385   1HB   SER  74          HB2       SER  74  -7.721 -14.516  -5.078
 1386   2HB   SER  74          HB1       SER  74  -7.548 -15.783  -3.864
 1387    HG   SER  74           HG       SER  74  -9.685 -16.065  -3.827
 1388    H    GLU  75           HN       GLU  75  -9.826 -12.134  -3.259
 1389    HA   GLU  75           HA       GLU  75  -8.875 -10.522  -5.315
 1390   1HB   GLU  75          HB2       GLU  75 -10.713  -9.723  -3.074
 1391   2HB   GLU  75          HB1       GLU  75 -10.587  -8.958  -4.642
 1392   1HG   GLU  75          HG2       GLU  75 -11.373 -11.812  -4.339
 1393   2HG   GLU  75          HG1       GLU  75 -12.543 -10.501  -4.193
 1394    H    TYR  76           HN       TYR  76  -7.063 -10.805  -2.638
 1395    HA   TYR  76           HA       TYR  76  -6.896  -8.279  -1.599
 1396   1HB   TYR  76          HB2       TYR  76  -5.237 -10.689  -1.479
 1397   2HB   TYR  76          HB1       TYR  76  -4.366  -9.188  -1.183
 1398    HD1  TYR  76           HD1      TYR  76  -4.966 -11.580   0.689
 1399    HD2  TYR  76           HD2      TYR  76  -6.798  -7.787   0.151
 1400    HE1  TYR  76           HE1      TYR  76  -5.828 -11.661   2.983
 1401    HE2  TYR  76           HE2      TYR  76  -7.668  -7.856   2.403
 1402    HH   TYR  76           HH       TYR  76  -8.149  -9.425   4.160
 1403    H    TRP  77           HN       TRP  77  -5.778  -9.509  -4.559
 1404    HA   TRP  77           HA       TRP  77  -3.686  -7.721  -5.167
 1405   1HB   TRP  77          HB2       TRP  77  -4.383  -8.035  -7.530
 1406   2HB   TRP  77          HB1       TRP  77  -4.319  -9.569  -6.660
 1407    HD1  TRP  77           HD1      TRP  77  -7.056  -6.900  -7.442
 1408    HE1  TRP  77           HE1      TRP  77  -9.217  -8.170  -7.965
 1409    HE3  TRP  77           HE3      TRP  77  -5.423 -11.667  -6.646
 1410    HZ2  TRP  77           HZ2      TRP  77 -10.141 -10.855  -8.011
 1411    HZ3  TRP  77           HZ3      TRP  77  -7.002 -13.526  -6.913
 1412    HH2  TRP  77           HH2      TRP  77  -9.314 -13.131  -7.583
 1413    H    ARG  78           HN       ARG  78  -7.049  -7.131  -4.630
 1414    HA   ARG  78           HA       ARG  78  -7.171  -4.758  -6.083
 1415   1HB   ARG  78          HB2       ARG  78  -8.881  -6.097  -4.071
 1416   2HB   ARG  78          HB1       ARG  78  -9.124  -4.370  -4.315
 1417   1HG   ARG  78          HG2       ARG  78  -9.336  -6.549  -6.371
 1418   2HG   ARG  78          HG1       ARG  78 -10.626  -5.544  -5.723
 1419   1HD   ARG  78          HD2       ARG  78  -8.414  -4.761  -7.580
 1420   2HD   ARG  78          HD1       ARG  78 -10.155  -4.634  -7.813
 1421    HE   ARG  78           HE       ARG  78  -9.596  -3.032  -5.661
 1422   1HH1  ARG  78          HH11      ARG  78  -8.588  -3.216  -8.990
 1423   2HH1  ARG  78          HH12      ARG  78  -8.342  -1.509  -9.146
 1424   1HH2  ARG  78          HH21      ARG  78  -9.282  -0.779  -5.859
 1425   2HH2  ARG  78          HH22      ARG  78  -8.738  -0.124  -7.368
 1426    H    LEU  79           HN       LEU  79  -6.350  -5.457  -2.678
 1427    HA   LEU  79           HA       LEU  79  -6.268  -2.812  -1.756
 1428   1HB   LEU  79          HB2       LEU  79  -4.097  -4.576  -0.839
 1429   2HB   LEU  79          HB1       LEU  79  -5.208  -3.613   0.100
 1430    HG   LEU  79           HG       LEU  79  -5.722  -6.343  -1.067
 1431   1HD1  LEU  79          HD11      LEU  79  -4.530  -5.407   1.370
 1432   2HD1  LEU  79          HD12      LEU  79  -4.748  -7.058   0.792
 1433   3HD1  LEU  79          HD13      LEU  79  -6.027  -6.273   1.717
 1434   1HD2  LEU  79          HD21      LEU  79  -7.488  -4.395   0.353
 1435   2HD2  LEU  79          HD22      LEU  79  -7.769  -6.132   0.454
 1436   3HD2  LEU  79          HD23      LEU  79  -7.805  -5.320  -1.112
 1437    H    ILE  80           HN       ILE  80  -4.208  -4.654  -3.800
 1438    HA   ILE  80           HA       ILE  80  -1.781  -3.525  -3.662
 1439    HB   ILE  80           HB       ILE  80  -2.932  -5.285  -5.333
 1440   1HG1  ILE  80          HG12      ILE  80  -0.454  -3.676  -6.046
 1441   2HG1  ILE  80          HG11      ILE  80  -0.510  -4.960  -4.841
 1442   1HG2  ILE  80          HG21      ILE  80  -2.830  -4.421  -7.652
 1443   2HG2  ILE  80          HG22      ILE  80  -2.623  -2.786  -7.024
 1444   3HG2  ILE  80          HG23      ILE  80  -4.111  -3.670  -6.704
 1445   1HD1  ILE  80          HD11      ILE  80   0.408  -5.779  -6.918
 1446   2HD1  ILE  80          HD12      ILE  80  -1.036  -5.257  -7.788
 1447   3HD1  ILE  80          HD13      ILE  80  -1.145  -6.550  -6.593
 1448    H    GLY  81           HN       GLY  81  -4.468  -2.165  -5.605
 1449   1HA   GLY  81          HA2       GLY  81  -3.000   0.294  -6.042
 1450   2HA   GLY  81          HA1       GLY  81  -4.615  -0.077  -6.625
 1451    H    GLU  82           HN       GLU  82  -4.906  -0.869  -3.520
 1452    HA   GLU  82           HA       GLU  82  -6.261   1.569  -2.829
 1453   1HB   GLU  82          HB2       GLU  82  -5.818  -0.916  -1.242
 1454   2HB   GLU  82          HB1       GLU  82  -6.953   0.357  -0.841
 1455   1HG   GLU  82          HG2       GLU  82  -7.080  -1.408  -3.262
 1456   2HG   GLU  82          HG1       GLU  82  -8.084  -1.559  -1.825
 1457    H    LEU  83           HN       LEU  83  -3.821  -0.410  -1.177
 1458    HA   LEU  83           HA       LEU  83  -3.175   1.417   0.819
 1459   1HB   LEU  83          HB2       LEU  83  -1.489  -0.694  -0.523
 1460   2HB   LEU  83          HB1       LEU  83  -0.922   0.256   0.834
 1461    HG   LEU  83           HG       LEU  83  -2.812  -0.650   2.191
 1462   1HD1  LEU  83          HD11      LEU  83  -3.212  -2.361  -0.253
 1463   2HD1  LEU  83          HD12      LEU  83  -4.373  -1.257   0.487
 1464   3HD1  LEU  83          HD13      LEU  83  -3.886  -2.725   1.335
 1465   1HD2  LEU  83          HD21      LEU  83  -1.821  -2.996   2.295
 1466   2HD2  LEU  83          HD22      LEU  83  -0.720  -1.645   2.557
 1467   3HD2  LEU  83          HD23      LEU  83  -0.744  -2.473   1.000
 1468    H    ALA  84           HN       ALA  84  -2.476   1.404  -2.540
 1469    HA   ALA  84           HA       ALA  84  -0.338   3.290  -2.341
 1470   1HB   ALA  84          HB1       ALA  84  -0.105   2.195  -4.304
 1471   2HB   ALA  84          HB2       ALA  84  -1.094   3.539  -4.882
 1472   3HB   ALA  84          HB3       ALA  84  -1.843   1.988  -4.511
 1473    H    LYS  85           HN       LYS  85  -3.824   3.481  -2.850
 1474    HA   LYS  85           HA       LYS  85  -4.208   6.001  -3.762
 1475   1HB   LYS  85          HB2       LYS  85  -5.707   4.815  -1.465
 1476   2HB   LYS  85          HB1       LYS  85  -6.282   6.109  -2.501
 1477   1HG   LYS  85          HG2       LYS  85  -5.676   3.313  -3.430
 1478   2HG   LYS  85          HG1       LYS  85  -7.282   3.917  -3.021
 1479   1HD   LYS  85          HD2       LYS  85  -5.475   4.868  -5.241
 1480   2HD   LYS  85          HD1       LYS  85  -7.016   4.023  -5.402
 1481   1HE   LYS  85          HE2       LYS  85  -7.986   6.029  -4.094
 1482   2HE   LYS  85          HE1       LYS  85  -6.489   6.843  -4.540
 1483   1HZ   LYS  85          HZ1       LYS  85  -7.007   6.371  -6.876
 1484   2HZ   LYS  85          HZ2       LYS  85  -8.195   7.326  -6.143
 1485   3HZ   LYS  85          HZ3       LYS  85  -8.481   5.680  -6.411
 1486    H    GLU  86           HN       GLU  86  -3.797   5.193  -0.480
 1487    HA   GLU  86           HA       GLU  86  -3.743   7.747   0.594
 1488   1HB   GLU  86          HB2       GLU  86  -2.140   6.536   2.328
 1489   2HB   GLU  86          HB1       GLU  86  -3.863   6.196   2.292
 1490   1HG   GLU  86          HG2       GLU  86  -3.538   4.148   1.268
 1491   2HG   GLU  86          HG1       GLU  86  -1.960   4.615   0.671
 1492    H    VAL  87           HN       VAL  87  -1.233   5.832  -0.882
 1493    HA   VAL  87           HA       VAL  87   0.878   7.671  -0.236
 1494    HB   VAL  87           HB       VAL  87   0.858   5.274  -2.071
 1495   1HG1  VAL  87          HG11      VAL  87   2.618   7.057  -2.495
 1496   2HG1  VAL  87          HG12      VAL  87   3.190   5.425  -2.192
 1497   3HG1  VAL  87          HG13      VAL  87   3.267   6.634  -0.913
 1498   1HG2  VAL  87          HG21      VAL  87   2.030   4.164  -0.221
 1499   2HG2  VAL  87          HG22      VAL  87   0.408   4.683   0.240
 1500   3HG2  VAL  87          HG23      VAL  87   1.814   5.608   0.769
 1501    H    ARG  88           HN       ARG  88  -1.391   7.236  -2.782
 1502    HA   ARG  88           HA       ARG  88  -0.027   8.323  -4.961
 1503   1HB   ARG  88          HB2       ARG  88  -2.328   7.129  -4.762
 1504   2HB   ARG  88          HB1       ARG  88  -2.964   8.757  -4.531
 1505   1HG   ARG  88          HG2       ARG  88  -1.345   7.873  -6.912
 1506   2HG   ARG  88          HG1       ARG  88  -3.107   7.962  -6.865
 1507   1HD   ARG  88          HD2       ARG  88  -1.160  10.242  -6.560
 1508   2HD   ARG  88          HD1       ARG  88  -2.239   9.943  -7.919
 1509    HE   ARG  88           HE       ARG  88  -3.874  10.144  -5.721
 1510   1HH1  ARG  88          HH11      ARG  88  -1.516  12.174  -7.286
 1511   2HH1  ARG  88          HH12      ARG  88  -2.295  13.652  -6.831
 1512   1HH2  ARG  88          HH21      ARG  88  -4.908  12.086  -5.118
 1513   2HH2  ARG  88          HH22      ARG  88  -4.224  13.602  -5.598
 1514    H    LYS  89           HN       LYS  89  -2.107  10.009  -2.596
 1515    HA   LYS  89           HA       LYS  89  -1.563  12.581  -3.788
 1516   1HB   LYS  89          HB2       LYS  89  -2.645  13.454  -1.688
 1517   2HB   LYS  89          HB1       LYS  89  -3.654  12.408  -2.662
 1518   1HG   LYS  89          HG2       LYS  89  -2.040  11.139  -0.475
 1519   2HG   LYS  89          HG1       LYS  89  -3.414  12.163  -0.015
 1520   1HD   LYS  89          HD2       LYS  89  -3.414   9.449  -0.910
 1521   2HD   LYS  89          HD1       LYS  89  -4.742  10.412  -0.291
 1522   1HE   LYS  89          HE2       LYS  89  -5.257  11.206  -2.525
 1523   2HE   LYS  89          HE1       LYS  89  -3.865  10.360  -3.183
 1524   1HZ   LYS  89          HZ1       LYS  89  -5.815   8.766  -1.713
 1525   2HZ   LYS  89          HZ2       LYS  89  -4.907   8.370  -3.083
 1526   3HZ   LYS  89          HZ3       LYS  89  -6.282   9.341  -3.233
 1527    H    GLU  90           HN       GLU  90  -0.403  10.644  -1.169
 1528    HA   GLU  90           HA       GLU  90   1.024  12.562   0.260
 1529   1HB   GLU  90          HB2       GLU  90   1.166   9.591  -0.045
 1530   2HB   GLU  90          HB1       GLU  90   2.335  10.437   0.970
 1531   1HG   GLU  90          HG2       GLU  90  -0.667  10.543   1.259
 1532   2HG   GLU  90          HG1       GLU  90   0.426   9.547   2.236
 1533    H    LYS  91           HN       LYS  91   1.600  11.146  -2.810
 1534    HA   LYS  91           HA       LYS  91   4.370  11.238  -2.984
 1535   1HB   LYS  91          HB2       LYS  91   4.116  11.207  -5.325
 1536   2HB   LYS  91          HB1       LYS  91   2.722  10.343  -4.700
 1537   1HG   LYS  91          HG2       LYS  91   1.390  12.425  -4.960
 1538   2HG   LYS  91          HG1       LYS  91   2.791  13.166  -5.736
 1539   1HD   LYS  91          HD2       LYS  91   2.751  11.307  -7.404
 1540   2HD   LYS  91          HD1       LYS  91   1.235  10.763  -6.683
 1541   1HE   LYS  91          HE2       LYS  91   0.736  12.101  -8.614
 1542   2HE   LYS  91          HE1       LYS  91   0.264  12.993  -7.168
 1543   1HZ   LYS  91          HZ1       LYS  91   2.759  13.405  -8.725
 1544   2HZ   LYS  91          HZ2       LYS  91   2.328  14.252  -7.327
 1545   3HZ   LYS  91          HZ3       LYS  91   1.406  14.421  -8.734
 1546    H    ALA  92           HN       ALA  92   1.964  13.733  -3.659
 1547    HA   ALA  92           HA       ALA  92   3.987  15.765  -4.039
 1548   1HB   ALA  92          HB1       ALA  92   2.145  17.265  -4.494
 1549   2HB   ALA  92          HB2       ALA  92   0.992  16.063  -3.915
 1550   3HB   ALA  92          HB3       ALA  92   1.924  15.756  -5.380
 1551    H    LEU  93           HN       LEU  93   1.914  14.712  -1.415
 1552    HA   LEU  93           HA       LEU  93   2.371  17.141   0.076
 1553   1HB   LEU  93          HB2       LEU  93   0.332  15.560   0.267
 1554   2HB   LEU  93          HB1       LEU  93   1.370  14.618   1.327
 1555    HG   LEU  93           HG       LEU  93   1.743  17.031   2.421
 1556   1HD1  LEU  93          HD11      LEU  93   0.353  18.313   1.028
 1557   2HD1  LEU  93          HD12      LEU  93  -0.551  18.102   2.529
 1558   3HD1  LEU  93          HD13      LEU  93  -0.956  17.137   1.110
 1559   1HD2  LEU  93          HD21      LEU  93  -0.601  15.212   2.986
 1560   2HD2  LEU  93          HD22      LEU  93   0.055  16.417   4.092
 1561   3HD2  LEU  93          HD23      LEU  93   1.035  15.031   3.617
 1562    H    GLY  94           HN       GLY  94   3.778  13.953  -0.111
 1563   1HA   GLY  94          HA2       GLY  94   5.145  13.590   2.195
 1564   2HA   GLY  94          HA1       GLY  94   5.867  13.266   0.616
 1565    H    ILE  95           HN       ILE  95   5.959  15.873  -0.332
 1566    HA   ILE  95           HA       ILE  95   8.409  16.719   0.768
 1567    HB   ILE  95           HB       ILE  95   8.047  18.741  -0.725
 1568   1HG1  ILE  95          HG12      ILE  95   5.808  17.077  -1.840
 1569   2HG1  ILE  95          HG11      ILE  95   5.512  18.415  -0.733
 1570   1HG2  ILE  95          HG21      ILE  95   9.351  16.761  -1.271
 1571   2HG2  ILE  95          HG22      ILE  95   8.599  17.497  -2.685
 1572   3HG2  ILE  95          HG23      ILE  95   7.908  16.042  -1.972
 1573   1HD1  ILE  95          HD11      ILE  95   6.781  18.565  -3.457
 1574   2HD1  ILE  95          HD12      ILE  95   6.630  19.922  -2.343
 1575   3HD1  ILE  95          HD13      ILE  95   5.184  19.149  -2.992
 1576    H    ARG  96           HN       ARG  96   7.275  16.797   3.002
 1577    HA   ARG  96           HA       ARG  96   5.813  19.167   3.574
 1578   1HB   ARG  96          HB2       ARG  96   7.196  17.098   5.251
 1579   2HB   ARG  96          HB1       ARG  96   6.604  18.584   5.985
 1580   1HG   ARG  96          HG2       ARG  96   4.851  16.817   4.317
 1581   2HG   ARG  96          HG1       ARG  96   5.055  16.591   6.061
 1582   1HD   ARG  96          HD2       ARG  96   4.265  19.222   4.851
 1583   2HD   ARG  96          HD1       ARG  96   3.071  18.005   5.308
 1584    HE   ARG  96           HE       ARG  96   4.775  18.481   7.487
 1585   1HH1  ARG  96          HH11      ARG  96   2.303  20.090   5.633
 1586   2HH1  ARG  96          HH12      ARG  96   1.780  21.086   6.951
 1587   1HH2  ARG  96          HH21      ARG  96   4.096  19.789   9.228
 1588   2HH2  ARG  96          HH22      ARG  96   2.800  20.915   8.994
 1589    H    LYS  97           HN       LYS  97   9.080  18.509   2.917
 1590    HA   LYS  97           HA       LYS  97   9.957  20.982   4.183
 1591   1HB   LYS  97          HB2       LYS  97  12.228  19.967   3.086
 1592   2HB   LYS  97          HB1       LYS  97  11.696  19.640   4.728
 1593   1HG   LYS  97          HG2       LYS  97  10.902  17.881   2.430
 1594   2HG   LYS  97          HG1       LYS  97  12.423  17.656   3.302
 1595   1HD   LYS  97          HD2       LYS  97  11.378  16.990   5.229
 1596   2HD   LYS  97          HD1       LYS  97   9.901  17.885   4.870
 1597   1HE   LYS  97          HE2       LYS  97   9.229  16.267   3.252
 1598   2HE   LYS  97          HE1       LYS  97  10.787  15.446   3.337
 1599   1HZ   LYS  97          HZ1       LYS  97   9.104  14.251   4.580
 1600   2HZ   LYS  97          HZ2       LYS  97   8.783  15.615   5.527
 1601   3HZ   LYS  97          HZ3       LYS  97  10.285  14.846   5.636
 1602    H    LYS  98           HN       LYS  98   8.869  22.339   2.730
 1603    HA   LYS  98           HA       LYS  98   9.947  22.360  -0.007
 1604   1HB   LYS  98          HB2       LYS  98   7.420  23.642   1.050
 1605   2HB   LYS  98          HB1       LYS  98   7.961  23.660  -0.622
 1606   1HG   LYS  98          HG2       LYS  98   7.863  21.106  -0.485
 1607   2HG   LYS  98          HG1       LYS  98   6.926  21.355   0.986
 1608   1HD   LYS  98          HD2       LYS  98   5.412  21.085  -0.864
 1609   2HD   LYS  98          HD1       LYS  98   5.349  22.762  -0.313
 1610   1HE   LYS  98          HE2       LYS  98   6.743  23.474  -2.129
 1611   2HE   LYS  98          HE1       LYS  98   7.039  21.805  -2.613
 1612   1HZ   LYS  98          HZ1       LYS  98   4.415  23.195  -2.701
 1613   2HZ   LYS  98          HZ2       LYS  98   4.692  21.590  -3.159
 1614   3HZ   LYS  98          HZ3       LYS  98   5.398  22.853  -4.035
  Start of MODEL   12
    1   1H    MET   1          HT1       MET   1 -18.369   3.613  -3.507
    2   2H    MET   1          HT2       MET   1 -19.241   4.509  -2.375
    3   3H    MET   1          HT3       MET   1 -17.856   3.667  -1.895
    4    HA   MET   1           HA       MET   1 -18.040   6.052  -3.612
    5   1HB   MET   1          HB2       MET   1 -16.846   5.470  -0.896
    6   2HB   MET   1          HB1       MET   1 -16.236   6.780  -1.900
    7   1HG   MET   1          HG2       MET   1 -19.052   6.526  -0.860
    8   2HG   MET   1          HG1       MET   1 -17.847   7.697  -0.361
    9   1HE   MET   1          HE1       MET   1 -19.938   6.377  -3.422
   10   2HE   MET   1          HE2       MET   1 -20.714   7.893  -3.873
   11   3HE   MET   1          HE3       MET   1 -20.980   7.210  -2.269
   12    H    ALA   2           HN       ALA   2 -15.693   6.933  -3.939
   13    HA   ALA   2           HA       ALA   2 -14.141   4.699  -5.061
   14   1HB   ALA   2          HB1       ALA   2 -14.461   7.530  -5.990
   15   2HB   ALA   2          HB2       ALA   2 -14.748   6.036  -6.881
   16   3HB   ALA   2          HB3       ALA   2 -13.101   6.538  -6.510
   17    H    ALA   3           HN       ALA   3 -11.794   4.995  -5.162
   18    HA   ALA   3           HA       ALA   3 -10.762   5.673  -2.611
   19   1HB   ALA   3          HB1       ALA   3  -9.326   5.111  -5.205
   20   2HB   ALA   3          HB2       ALA   3  -9.725   3.935  -3.953
   21   3HB   ALA   3          HB3       ALA   3  -8.559   5.217  -3.621
   22    H    GLU   4           HN       GLU   4 -11.619   7.847  -2.521
   23    HA   GLU   4           HA       GLU   4 -10.677   9.888  -4.247
   24   1HB   GLU   4          HB2       GLU   4 -12.760   9.901  -2.785
   25   2HB   GLU   4          HB1       GLU   4 -11.695  10.244  -1.426
   26   1HG   GLU   4          HG2       GLU   4 -12.810  12.027  -3.360
   27   2HG   GLU   4          HG1       GLU   4 -11.946  12.384  -1.877
   28    H    THR   5           HN       THR   5 -10.020  11.418  -1.399
   29    HA   THR   5           HA       THR   5  -7.240  11.349  -1.847
   30    HB   THR   5           HB       THR   5  -8.270  12.329   0.763
   31    HG1  THR   5           HG1      THR   5  -9.729  13.512  -0.217
   32   1HG2  THR   5          HG21      THR   5  -5.882  12.462  -0.374
   33   2HG2  THR   5          HG22      THR   5  -6.509  13.783   0.613
   34   3HG2  THR   5          HG23      THR   5  -6.594  13.878  -1.148
   35    H    LEU   6           HN       LEU   6  -6.465  11.352   1.071
   36    HA   LEU   6           HA       LEU   6  -5.620   8.669   1.201
   37   1HB   LEU   6          HB2       LEU   6  -5.526  10.950   3.163
   38   2HB   LEU   6          HB1       LEU   6  -4.827   9.391   3.492
   39    HG   LEU   6           HG       LEU   6  -3.650   9.997   1.118
   40   1HD1  LEU   6          HD11      LEU   6  -4.634  12.222   1.075
   41   2HD1  LEU   6          HD12      LEU   6  -2.888  12.320   1.299
   42   3HD1  LEU   6          HD13      LEU   6  -3.970  12.563   2.671
   43   1HD2  LEU   6          HD21      LEU   6  -1.972   9.462   2.469
   44   2HD2  LEU   6          HD22      LEU   6  -2.958   9.810   3.888
   45   3HD2  LEU   6          HD23      LEU   6  -2.027  11.095   3.130
   46    H    THR   7           HN       THR   7  -7.275   7.191   1.445
   47    HA   THR   7           HA       THR   7  -9.413   7.612   3.280
   48    HB   THR   7           HB       THR   7  -8.932   4.807   2.700
   49    HG1  THR   7           HG1      THR   7  -7.970   5.376   0.819
   50   1HG2  THR   7          HG21      THR   7 -11.123   6.805   2.414
   51   2HG2  THR   7          HG22      THR   7 -11.113   5.218   3.190
   52   3HG2  THR   7          HG23      THR   7 -11.199   5.341   1.435
   53    H    GLU   8           HN       GLU   8  -9.797   5.653   4.917
   54    HA   GLU   8           HA       GLU   8  -8.233   6.044   7.111
   55   1HB   GLU   8          HB2       GLU   8  -9.272   3.283   6.605
   56   2HB   GLU   8          HB1       GLU   8  -9.204   4.188   8.109
   57   1HG   GLU   8          HG2       GLU   8 -11.113   4.552   5.826
   58   2HG   GLU   8          HG1       GLU   8 -11.472   4.045   7.475
   59    H    LEU   9           HN       LEU   9  -7.492   4.072   4.374
   60    HA   LEU   9           HA       LEU   9  -5.572   2.366   5.411
   61   1HB   LEU   9          HB2       LEU   9  -5.522   3.627   2.700
   62   2HB   LEU   9          HB1       LEU   9  -4.922   2.049   3.142
   63    HG   LEU   9           HG       LEU   9  -7.735   2.967   2.706
   64   1HD1  LEU   9          HD11      LEU   9  -6.296   1.916   0.932
   65   2HD1  LEU   9          HD12      LEU   9  -7.857   1.153   1.224
   66   3HD1  LEU   9          HD13      LEU   9  -6.385   0.425   1.870
   67   1HD2  LEU   9          HD21      LEU   9  -6.856   0.715   4.479
   68   2HD2  LEU   9          HD22      LEU   9  -8.392   0.662   3.619
   69   3HD2  LEU   9          HD23      LEU   9  -8.072   1.953   4.776
   70    H    GLU  10           HN       GLU  10  -5.304   5.794   4.627
   71    HA   GLU  10           HA       GLU  10  -2.531   5.988   4.266
   72   1HB   GLU  10          HB2       GLU  10  -2.858   8.295   5.417
   73   2HB   GLU  10          HB1       GLU  10  -3.631   7.982   3.870
   74   1HG   GLU  10          HG2       GLU  10  -5.657   8.235   4.713
   75   2HG   GLU  10          HG1       GLU  10  -5.296   7.234   6.116
   76    H    ALA  11           HN       ALA  11  -4.499   5.645   7.159
   77    HA   ALA  11           HA       ALA  11  -2.620   6.142   9.144
   78   1HB   ALA  11          HB1       ALA  11  -3.913   4.597  10.550
   79   2HB   ALA  11          HB2       ALA  11  -4.751   3.997   9.120
   80   3HB   ALA  11          HB3       ALA  11  -4.972   5.666   9.636
   81    H    ALA  12           HN       ALA  12  -3.025   3.487   6.944
   82    HA   ALA  12           HA       ALA  12  -1.219   1.687   8.185
   83   1HB   ALA  12          HB1       ALA  12  -1.942   1.775   5.261
   84   2HB   ALA  12          HB2       ALA  12  -2.976   1.065   6.500
   85   3HB   ALA  12          HB3       ALA  12  -1.378   0.388   6.191
   86    H    ILE  13           HN       ILE  13  -0.875   4.372   5.952
   87    HA   ILE  13           HA       ILE  13   1.635   3.876   4.923
   88    HB   ILE  13           HB       ILE  13   0.418   6.528   5.679
   89   1HG1  ILE  13          HG12      ILE  13   0.955   5.443   2.918
   90   2HG1  ILE  13          HG11      ILE  13  -0.545   5.091   3.780
   91   1HG2  ILE  13          HG21      ILE  13   2.805   6.829   5.746
   92   2HG2  ILE  13          HG22      ILE  13   2.165   7.577   4.283
   93   3HG2  ILE  13          HG23      ILE  13   2.985   6.018   4.191
   94   1HD1  ILE  13          HD11      ILE  13  -1.225   7.319   3.713
   95   2HD1  ILE  13          HD12      ILE  13  -0.516   7.032   2.124
   96   3HD1  ILE  13          HD13      ILE  13   0.400   7.898   3.354
   97    H    GLU  14           HN       GLU  14   0.639   4.857   8.095
   98    HA   GLU  14           HA       GLU  14   3.066   5.803   9.132
   99   1HB   GLU  14          HB2       GLU  14   0.717   4.499  10.509
  100   2HB   GLU  14          HB1       GLU  14   2.048   5.280  11.354
  101   1HG   GLU  14          HG2       GLU  14   0.166   6.618   9.422
  102   2HG   GLU  14          HG1       GLU  14   0.099   6.733  11.180
  103    H    THR  15           HN       THR  15   1.672   2.513   9.100
  104    HA   THR  15           HA       THR  15   3.758   1.362  10.664
  105    HB   THR  15           HB       THR  15   1.947   0.028   8.640
  106    HG1  THR  15           HG1      THR  15   0.851  -0.615  10.649
  107   1HG2  THR  15          HG21      THR  15   3.861  -1.370   9.080
  108   2HG2  THR  15          HG22      THR  15   2.466  -2.038   9.926
  109   3HG2  THR  15          HG23      THR  15   3.685  -1.129  10.818
  110    H    VAL  16           HN       VAL  16   3.076   1.270   7.201
  111    HA   VAL  16           HA       VAL  16   5.408   0.004   6.354
  112    HB   VAL  16           HB       VAL  16   3.417   0.277   4.955
  113   1HG1  VAL  16          HG11      VAL  16   4.256   3.175   4.813
  114   2HG1  VAL  16          HG12      VAL  16   2.840   2.547   5.656
  115   3HG1  VAL  16          HG13      VAL  16   2.946   2.431   3.900
  116   1HG2  VAL  16          HG21      VAL  16   4.707   1.266   2.894
  117   2HG2  VAL  16          HG22      VAL  16   5.216  -0.252   3.619
  118   3HG2  VAL  16          HG23      VAL  16   6.081   1.230   3.999
  119    H    VAL  17           HN       VAL  17   4.712   3.440   6.852
  120    HA   VAL  17           HA       VAL  17   7.208   4.293   5.760
  121    HB   VAL  17           HB       VAL  17   5.133   5.708   5.845
  122   1HG1  VAL  17          HG11      VAL  17   5.965   6.367   8.657
  123   2HG1  VAL  17          HG12      VAL  17   4.706   5.189   8.299
  124   3HG1  VAL  17          HG13      VAL  17   4.507   6.868   7.799
  125   1HG2  VAL  17          HG21      VAL  17   6.373   7.797   6.219
  126   2HG2  VAL  17          HG22      VAL  17   7.292   6.639   5.256
  127   3HG2  VAL  17          HG23      VAL  17   7.679   6.873   6.961
  128    H    SER  18           HN       SER  18   5.936   3.759   9.007
  129    HA   SER  18           HA       SER  18   8.348   4.657  10.290
  130   1HB   SER  18          HB2       SER  18   6.205   4.971  11.410
  131   2HB   SER  18          HB1       SER  18   5.926   3.229  11.410
  132    HG   SER  18           HG       SER  18   6.784   3.543  13.357
  133    H    THR  19           HN       THR  19   7.401   1.755   8.827
  134    HA   THR  19           HA       THR  19   9.021   0.096  10.543
  135    HB   THR  19           HB       THR  19   8.498  -1.705   8.785
  136    HG1  THR  19           HG1      THR  19   7.412   0.406   7.534
  137   1HG2  THR  19          HG21      THR  19   7.398  -1.795  10.871
  138   2HG2  THR  19          HG22      THR  19   6.122  -1.900   9.658
  139   3HG2  THR  19          HG23      THR  19   6.414  -0.380  10.503
  140    H    PHE  20           HN       PHE  20   9.152  -0.193   7.073
  141    HA   PHE  20           HA       PHE  20  12.004  -0.584   7.118
  142   1HB   PHE  20          HB2       PHE  20  10.785  -2.142   5.807
  143   2HB   PHE  20          HB1       PHE  20   9.823  -0.868   5.066
  144    HD1  PHE  20           HD1      PHE  20  10.253  -0.521   2.854
  145    HD2  PHE  20           HD2      PHE  20  13.461  -1.683   5.380
  146    HE1  PHE  20           HE1      PHE  20  11.757  -0.506   0.930
  147    HE2  PHE  20           HE2      PHE  20  14.979  -1.670   3.463
  148    HZ   PHE  20           HZ       PHE  20  14.119  -1.075   1.226
  149    H    PHE  21           HN       PHE  21   9.691   1.694   5.856
  150    HA   PHE  21           HA       PHE  21  11.438   3.121   4.226
  151   1HB   PHE  21          HB2       PHE  21   8.999   4.042   5.741
  152   2HB   PHE  21          HB1       PHE  21   9.770   4.956   4.458
  153    HD1  PHE  21           HD1      PHE  21  10.103   1.645   3.518
  154    HD2  PHE  21           HD2      PHE  21   7.128   4.689   3.814
  155    HE1  PHE  21           HE1      PHE  21   8.707   0.457   1.881
  156    HE2  PHE  21           HE2      PHE  21   5.730   3.484   2.200
  157    HZ   PHE  21           HZ       PHE  21   6.525   1.378   1.215
  158    H    THR  22           HN       THR  22  11.242   2.860   7.630
  159    HA   THR  22           HA       THR  22  12.374   5.337   8.335
  160    HB   THR  22           HB       THR  22  13.161   4.251  10.366
  161    HG1  THR  22           HG1      THR  22  13.780   2.307   9.269
  162   1HG2  THR  22          HG21      THR  22  11.015   3.423  11.172
  163   2HG2  THR  22          HG22      THR  22  10.445   3.311   9.503
  164   3HG2  THR  22          HG23      THR  22  10.814   4.884  10.205
  165    H    PHE  23           HN       PHE  23  13.677   2.664   6.609
  166    HA   PHE  23           HA       PHE  23  16.391   3.036   7.350
  167   1HB   PHE  23          HB2       PHE  23  16.798   1.232   6.064
  168   2HB   PHE  23          HB1       PHE  23  15.054   1.132   5.915
  169    HD1  PHE  23           HD1      PHE  23  17.939   2.826   4.242
  170    HD2  PHE  23           HD2      PHE  23  14.210   0.855   3.864
  171    HE1  PHE  23           HE1      PHE  23  18.180   2.869   1.809
  172    HE2  PHE  23           HE2      PHE  23  14.416   0.914   1.430
  173    HZ   PHE  23           HZ       PHE  23  16.428   1.886   0.409
  174    H    ALA  24           HN       ALA  24  14.273   4.973   5.581
  175    HA   ALA  24           HA       ALA  24  15.728   6.257   3.653
  176   1HB   ALA  24          HB1       ALA  24  13.432   6.851   5.082
  177   2HB   ALA  24          HB2       ALA  24  14.124   7.840   3.798
  178   3HB   ALA  24          HB3       ALA  24  14.511   8.184   5.484
  179    H    GLY  25           HN       GLY  25  15.964   6.489   7.104
  180   1HA   GLY  25          HA2       GLY  25  17.633   8.526   7.665
  181   2HA   GLY  25          HA1       GLY  25  17.782   6.950   8.443
  182    H    ARG  26           HN       ARG  26  18.515   5.627   5.910
  183    HA   ARG  26           HA       ARG  26  21.221   5.506   6.013
  184   1HB   ARG  26          HB2       ARG  26  19.942   4.000   4.620
  185   2HB   ARG  26          HB1       ARG  26  19.452   5.318   3.568
  186   1HG   ARG  26          HG2       ARG  26  21.109   4.428   2.301
  187   2HG   ARG  26          HG1       ARG  26  22.070   5.559   3.255
  188   1HD   ARG  26          HD2       ARG  26  22.539   3.711   4.852
  189   2HD   ARG  26          HD1       ARG  26  21.698   2.617   3.755
  190    HE   ARG  26           HE       ARG  26  23.670   3.932   2.291
  191   1HH1  ARG  26          HH11      ARG  26  23.437   1.671   4.930
  192   2HH1  ARG  26          HH12      ARG  26  24.952   0.908   4.583
  193   1HH2  ARG  26          HH21      ARG  26  25.668   2.936   1.824
  194   2HH2  ARG  26          HH22      ARG  26  26.222   1.628   2.816
  195    H    GLU  27           HN       GLU  27  19.338   7.704   3.965
  196    HA   GLU  27           HA       GLU  27  21.729   9.170   3.210
  197   1HB   GLU  27          HB2       GLU  27  18.838   9.743   2.523
  198   2HB   GLU  27          HB1       GLU  27  20.256  10.450   1.760
  199   1HG   GLU  27          HG2       GLU  27  19.400   7.567   1.639
  200   2HG   GLU  27          HG1       GLU  27  19.308   8.752   0.338
  201    H    GLY  28           HN       GLY  28  22.444  10.900   4.264
  202   1HA   GLY  28          HA2       GLY  28  21.720  11.743   6.716
  203   2HA   GLY  28          HA1       GLY  28  22.448  12.822   5.543
  204    H    ARG  29           HN       ARG  29  21.113  14.190   4.314
  205    HA   ARG  29           HA       ARG  29  19.253  15.628   5.625
  206   1HB   ARG  29          HB2       ARG  29  20.255  16.273   3.473
  207   2HB   ARG  29          HB1       ARG  29  19.253  15.088   2.651
  208   1HG   ARG  29          HG2       ARG  29  17.255  16.311   3.237
  209   2HG   ARG  29          HG1       ARG  29  18.204  17.458   4.184
  210   1HD   ARG  29          HD2       ARG  29  17.600  18.337   1.966
  211   2HD   ARG  29          HD1       ARG  29  19.345  18.210   2.188
  212    HE   ARG  29           HE       ARG  29  18.312  15.877   0.953
  213   1HH1  ARG  29          HH11      ARG  29  19.109  19.206   0.319
  214   2HH1  ARG  29          HH12      ARG  29  19.425  18.945  -1.363
  215   1HH2  ARG  29          HH21      ARG  29  18.726  15.520  -1.259
  216   2HH2  ARG  29          HH22      ARG  29  19.206  16.848  -2.261
  217    H    LYS  30           HN       LYS  30  16.892  15.943   5.135
  218    HA   LYS  30           HA       LYS  30  15.525  13.361   5.340
  219   1HB   LYS  30          HB2       LYS  30  14.060  15.965   5.580
  220   2HB   LYS  30          HB1       LYS  30  13.828  14.458   6.464
  221   1HG   LYS  30          HG2       LYS  30  16.062  16.429   6.893
  222   2HG   LYS  30          HG1       LYS  30  14.646  16.214   7.923
  223   1HD   LYS  30          HD2       LYS  30  15.352  13.893   8.362
  224   2HD   LYS  30          HD1       LYS  30  16.795  14.166   7.382
  225   1HE   LYS  30          HE2       LYS  30  16.050  15.638   9.908
  226   2HE   LYS  30          HE1       LYS  30  17.297  14.401   9.756
  227   1HZ   LYS  30          HZ1       LYS  30  18.504  15.839   8.246
  228   2HZ   LYS  30          HZ2       LYS  30  18.232  16.633   9.715
  229   3HZ   LYS  30          HZ3       LYS  30  17.298  17.022   8.360
  230    H    GLY  31           HN       GLY  31  16.245  13.364   2.925
  231   1HA   GLY  31          HA2       GLY  31  14.229  14.709   1.249
  232   2HA   GLY  31          HA1       GLY  31  15.763  14.044   0.694
  233    H    SER  32           HN       SER  32  15.962  11.687   0.630
  234    HA   SER  32           HA       SER  32  13.440  10.301   0.925
  235   1HB   SER  32          HB2       SER  32  13.807   9.125  -1.299
  236   2HB   SER  32          HB1       SER  32  13.154  10.751  -1.336
  237    HG   SER  32           HG       SER  32  15.931  10.355  -1.508
  238    H    LEU  33           HN       LEU  33  13.649   8.022   0.397
  239    HA   LEU  33           HA       LEU  33  16.019   6.952   1.714
  240   1HB   LEU  33          HB2       LEU  33  14.029   6.243   2.719
  241   2HB   LEU  33          HB1       LEU  33  13.247   6.019   1.178
  242    HG   LEU  33           HG       LEU  33  15.547   4.259   1.790
  243   1HD1  LEU  33          HD11      LEU  33  14.672   3.695   3.771
  244   2HD1  LEU  33          HD12      LEU  33  13.422   2.890   2.827
  245   3HD1  LEU  33          HD13      LEU  33  13.159   4.508   3.438
  246   1HD2  LEU  33          HD21      LEU  33  13.585   4.471  -0.155
  247   2HD2  LEU  33          HD22      LEU  33  13.053   3.125   0.851
  248   3HD2  LEU  33          HD23      LEU  33  14.649   3.092   0.113
  249    H    ASN  34           HN       ASN  34  17.008   4.919   0.661
  250    HA   ASN  34           HA       ASN  34  16.551   5.125  -2.205
  251   1HB   ASN  34          HB2       ASN  34  18.607   6.278  -1.233
  252   2HB   ASN  34          HB1       ASN  34  19.275   4.670  -1.029
  253   1HD2  ASN  34          HD21      ASN  34  18.310   7.095  -3.322
  254   2HD2  ASN  34          HD22      ASN  34  19.060   6.379  -4.704
  255    H    ILE  35           HN       ILE  35  19.061   2.996  -1.813
  256    HA   ILE  35           HA       ILE  35  17.382   0.754  -1.234
  257    HB   ILE  35           HB       ILE  35  18.616  -0.437  -3.221
  258   1HG1  ILE  35          HG12      ILE  35  18.891   1.024  -5.149
  259   2HG1  ILE  35          HG11      ILE  35  18.409   2.417  -4.192
  260   1HG2  ILE  35          HG21      ILE  35  16.404   1.199  -4.242
  261   2HG2  ILE  35          HG22      ILE  35  16.073   0.334  -2.745
  262   3HG2  ILE  35          HG23      ILE  35  16.590  -0.551  -4.179
  263   1HD1  ILE  35          HD11      ILE  35  20.382   2.077  -2.768
  264   2HD1  ILE  35          HD12      ILE  35  20.792   2.388  -4.453
  265   3HD1  ILE  35          HD13      ILE  35  20.874   0.748  -3.810
  266    H    ASN  36           HN       ASN  36  19.530   2.041   0.151
  267    HA   ASN  36           HA       ASN  36  21.799   0.274  -0.038
  268   1HB   ASN  36          HB2       ASN  36  21.081   2.449   1.935
  269   2HB   ASN  36          HB1       ASN  36  22.602   1.558   1.960
  270   1HD2  ASN  36          HD21      ASN  36  24.122   1.926   0.336
  271   2HD2  ASN  36          HD22      ASN  36  24.052   3.318  -0.686
  272    H    GLU  37           HN       GLU  37  19.545   1.110   2.590
  273    HA   GLU  37           HA       GLU  37  20.040  -1.440   3.825
  274   1HB   GLU  37          HB2       GLU  37  17.771   0.292   4.610
  275   2HB   GLU  37          HB1       GLU  37  18.782  -0.718   5.614
  276   1HG   GLU  37          HG2       GLU  37  20.662   0.827   5.156
  277   2HG   GLU  37          HG1       GLU  37  19.525   1.914   4.359
  278    H    PHE  38           HN       PHE  38  17.830  -0.200   1.455
  279    HA   PHE  38           HA       PHE  38  15.696  -1.935   1.712
  280   1HB   PHE  38          HB2       PHE  38  15.941  -0.052   0.039
  281   2HB   PHE  38          HB1       PHE  38  17.035  -1.089  -0.872
  282    HD1  PHE  38           HD1      PHE  38  15.908  -3.544  -1.293
  283    HD2  PHE  38           HD2      PHE  38  13.849   0.144  -0.823
  284    HE1  PHE  38           HE1      PHE  38  13.991  -4.464  -2.522
  285    HE2  PHE  38           HE2      PHE  38  11.925  -0.766  -2.050
  286    HZ   PHE  38           HZ       PHE  38  11.993  -3.075  -2.903
  287    H    LYS  39           HN       LYS  39  18.982  -2.428   0.800
  288    HA   LYS  39           HA       LYS  39  18.753  -4.826  -0.512
  289   1HB   LYS  39          HB2       LYS  39  21.068  -3.955   1.178
  290   2HB   LYS  39          HB1       LYS  39  21.110  -5.107  -0.149
  291   1HG   LYS  39          HG2       LYS  39  19.938  -2.716  -1.068
  292   2HG   LYS  39          HG1       LYS  39  21.462  -2.325  -0.262
  293   1HD   LYS  39          HD2       LYS  39  21.132  -4.406  -2.422
  294   2HD   LYS  39          HD1       LYS  39  21.760  -2.777  -2.676
  295   1HE   LYS  39          HE2       LYS  39  23.628  -3.235  -1.211
  296   2HE   LYS  39          HE1       LYS  39  22.971  -4.825  -0.823
  297   1HZ   LYS  39          HZ1       LYS  39  23.261  -5.477  -3.125
  298   2HZ   LYS  39          HZ2       LYS  39  24.734  -4.958  -2.477
  299   3HZ   LYS  39          HZ3       LYS  39  23.865  -3.945  -3.516
  300    H    GLU  40           HN       GLU  40  18.236  -4.138   2.645
  301    HA   GLU  40           HA       GLU  40  18.750  -6.754   3.727
  302   1HB   GLU  40          HB2       GLU  40  17.085  -4.570   4.978
  303   2HB   GLU  40          HB1       GLU  40  17.963  -5.865   5.790
  304   1HG   GLU  40          HG2       GLU  40  19.398  -3.860   4.132
  305   2HG   GLU  40          HG1       GLU  40  18.933  -3.473   5.792
  306    H    LEU  41           HN       LEU  41  16.368  -5.242   1.890
  307    HA   LEU  41           HA       LEU  41  14.068  -6.562   2.832
  308   1HB   LEU  41          HB2       LEU  41  14.634  -5.352   0.133
  309   2HB   LEU  41          HB1       LEU  41  13.063  -5.938   0.643
  310    HG   LEU  41           HG       LEU  41  14.535  -3.488   1.461
  311   1HD1  LEU  41          HD11      LEU  41  11.773  -3.124   1.408
  312   2HD1  LEU  41          HD12      LEU  41  12.132  -4.207   0.062
  313   3HD1  LEU  41          HD13      LEU  41  12.943  -2.648   0.180
  314   1HD2  LEU  41          HD21      LEU  41  12.921  -5.183   3.257
  315   2HD2  LEU  41          HD22      LEU  41  12.507  -3.476   3.236
  316   3HD2  LEU  41          HD23      LEU  41  14.149  -3.979   3.633
  317    H    ALA  42           HN       ALA  42  14.836  -7.085  -0.568
  318    HA   ALA  42           HA       ALA  42  13.760  -9.476  -0.944
  319   1HB   ALA  42          HB1       ALA  42  15.417  -9.933  -2.661
  320   2HB   ALA  42          HB2       ALA  42  16.381  -8.606  -2.023
  321   3HB   ALA  42          HB3       ALA  42  14.792  -8.285  -2.707
  322    H    THR  43           HN       THR  43  16.759  -8.934   0.686
  323    HA   THR  43           HA       THR  43  17.797 -11.487   0.676
  324    HB   THR  43           HB       THR  43  18.820 -10.519   2.909
  325    HG1  THR  43           HG1      THR  43  18.205  -8.025   1.755
  326   1HG2  THR  43          HG21      THR  43  19.301  -9.362   0.169
  327   2HG2  THR  43          HG22      THR  43  20.084 -10.781   0.857
  328   3HG2  THR  43          HG23      THR  43  20.403  -9.184   1.530
  329    H    GLN  44           HN       GLN  44  15.916  -9.883   3.273
  330    HA   GLN  44           HA       GLN  44  15.418 -12.386   4.561
  331   1HB   GLN  44          HB2       GLN  44  14.393  -9.615   5.182
  332   2HB   GLN  44          HB1       GLN  44  14.156 -11.027   6.200
  333   1HG   GLN  44          HG2       GLN  44  16.562 -11.197   6.537
  334   2HG   GLN  44          HG1       GLN  44  16.809  -9.793   5.498
  335   1HE2  GLN  44          HE21      GLN  44  16.214  -7.749   6.241
  336   2HE2  GLN  44          HE22      GLN  44  15.935  -7.429   7.915
  337    H    GLN  45           HN       GLN  45  13.602 -10.114   2.568
  338    HA   GLN  45           HA       GLN  45  11.121 -11.483   3.090
  339   1HB   GLN  45          HB2       GLN  45  10.524 -10.265   0.768
  340   2HB   GLN  45          HB1       GLN  45  10.490  -9.439   2.320
  341   1HG   GLN  45          HG2       GLN  45  12.435  -8.310   1.924
  342   2HG   GLN  45          HG1       GLN  45  12.996  -9.507   0.771
  343   1HE2  GLN  45          HE21      GLN  45   9.992  -7.636   0.938
  344   2HE2  GLN  45          HE22      GLN  45  10.193  -6.892  -0.609
  345    H    LEU  46           HN       LEU  46  13.884 -12.129   1.209
  346    HA   LEU  46           HA       LEU  46  13.000 -13.586  -0.914
  347   1HB   LEU  46          HB2       LEU  46  15.409 -13.604   0.735
  348   2HB   LEU  46          HB1       LEU  46  15.024 -15.185   0.100
  349    HG   LEU  46           HG       LEU  46  15.779 -12.704  -1.416
  350   1HD1  LEU  46          HD11      LEU  46  17.405 -14.202  -2.415
  351   2HD1  LEU  46          HD12      LEU  46  16.769 -15.542  -1.459
  352   3HD1  LEU  46          HD13      LEU  46  17.551 -14.179  -0.657
  353   1HD2  LEU  46          HD21      LEU  46  13.860 -13.455  -2.614
  354   2HD2  LEU  46          HD22      LEU  46  14.352 -15.141  -2.461
  355   3HD2  LEU  46          HD23      LEU  46  15.276 -14.041  -3.482
  356    HA   PRO  47           HA       PRO  47  12.065 -17.416   1.499
  357   1HB   PRO  47          HB2       PRO  47  12.851 -17.809   4.044
  358   2HB   PRO  47          HB1       PRO  47  13.922 -18.135   2.679
  359   1HG   PRO  47          HG2       PRO  47  13.856 -15.816   4.553
  360   2HG   PRO  47          HG1       PRO  47  15.252 -16.652   3.852
  361   1HD   PRO  47          HD2       PRO  47  14.239 -14.261   2.932
  362   2HD   PRO  47          HD1       PRO  47  15.197 -15.398   1.963
  363    H    HIS  48           HN       HIS  48  10.116 -16.199   1.394
  364    HA   HIS  48           HA       HIS  48   8.907 -15.495   3.943
  365   1HB   HIS  48          HB2       HIS  48   8.395 -14.652   1.177
  366   2HB   HIS  48          HB1       HIS  48   6.935 -15.141   2.022
  367    HD1  HIS  48           HD1      HIS  48   9.941 -12.945   2.712
  368    HD2  HIS  48           HD2      HIS  48   5.891 -13.217   3.572
  369    HE1  HIS  48           HE1      HIS  48   9.416 -10.918   4.103
  370    HE2  HIS  48           HE2      HIS  48   6.960 -11.122   4.640
  371    H    LEU  49           HN       LEU  49   6.291 -16.091   3.529
  372    HA   LEU  49           HA       LEU  49   6.235 -18.969   3.702
  373   1HB   LEU  49          HB2       LEU  49   4.774 -17.476   5.106
  374   2HB   LEU  49          HB1       LEU  49   3.931 -16.992   3.651
  375    HG   LEU  49           HG       LEU  49   4.024 -19.813   4.722
  376   1HD1  LEU  49          HD11      LEU  49   2.783 -18.397   6.229
  377   2HD1  LEU  49          HD12      LEU  49   1.666 -19.413   5.318
  378   3HD1  LEU  49          HD13      LEU  49   1.867 -17.714   4.885
  379   1HD2  LEU  49          HD21      LEU  49   3.673 -19.953   2.402
  380   2HD2  LEU  49          HD22      LEU  49   2.625 -18.535   2.390
  381   3HD2  LEU  49          HD23      LEU  49   2.063 -20.041   3.115
  382    H    LEU  50           HN       LEU  50   4.258 -16.686   1.797
  383    HA   LEU  50           HA       LEU  50   4.234 -18.493  -0.478
  384   1HB   LEU  50          HB2       LEU  50   2.192 -17.259   0.265
  385   2HB   LEU  50          HB1       LEU  50   2.981 -15.760  -0.187
  386    HG   LEU  50           HG       LEU  50   3.002 -16.405  -2.516
  387   1HD1  LEU  50          HD11      LEU  50   1.739 -18.986  -1.606
  388   2HD1  LEU  50          HD12      LEU  50   3.381 -18.798  -2.223
  389   3HD1  LEU  50          HD13      LEU  50   2.001 -18.494  -3.279
  390   1HD2  LEU  50          HD21      LEU  50   0.984 -15.335  -1.649
  391   2HD2  LEU  50          HD22      LEU  50   0.304 -16.918  -1.272
  392   3HD2  LEU  50          HD23      LEU  50   0.605 -16.465  -2.950
  393    H    LYS  51           HN       LYS  51   6.794 -17.644   0.035
  394    HA   LYS  51           HA       LYS  51   7.880 -15.386  -0.876
  395   1HB   LYS  51          HB2       LYS  51   9.236 -17.106   0.018
  396   2HB   LYS  51          HB1       LYS  51   8.797 -18.222  -1.259
  397   1HG   LYS  51          HG2       LYS  51  10.057 -16.962  -2.862
  398   2HG   LYS  51          HG1       LYS  51  10.429 -15.708  -1.658
  399   1HD   LYS  51          HD2       LYS  51  11.484 -17.606  -0.305
  400   2HD   LYS  51          HD1       LYS  51  11.360 -18.580  -1.766
  401   1HE   LYS  51          HE2       LYS  51  12.791 -17.080  -2.961
  402   2HE   LYS  51          HE1       LYS  51  12.783 -15.927  -1.628
  403   1HZ   LYS  51          HZ1       LYS  51  13.927 -17.567  -0.263
  404   2HZ   LYS  51          HZ2       LYS  51  14.818 -17.214  -1.657
  405   3HZ   LYS  51          HZ3       LYS  51  13.945 -18.659  -1.556
  406    H    ASP  52           HN       ASP  52   8.539 -14.464  -2.719
  407    HA   ASP  52           HA       ASP  52   7.254 -15.384  -5.192
  408   1HB   ASP  52          HB2       ASP  52   6.639 -13.135  -4.517
  409   2HB   ASP  52          HB1       ASP  52   8.330 -12.656  -4.440
  410    H    VAL  53           HN       VAL  53  10.262 -15.311  -3.701
  411    HA   VAL  53           HA       VAL  53  12.341 -15.810  -4.328
  412    HB   VAL  53           HB       VAL  53  11.455 -17.818  -5.299
  413   1HG1  VAL  53          HG11      VAL  53  10.910 -17.952  -7.722
  414   2HG1  VAL  53          HG12      VAL  53  10.925 -16.191  -7.775
  415   3HG1  VAL  53          HG13      VAL  53   9.748 -17.032  -6.769
  416   1HG2  VAL  53          HG21      VAL  53  13.148 -18.219  -7.059
  417   2HG2  VAL  53          HG22      VAL  53  13.802 -17.450  -5.614
  418   3HG2  VAL  53          HG23      VAL  53  13.501 -16.491  -7.063
  419    H    GLY  54           HN       GLY  54  12.763 -13.615  -4.337
  420   1HA   GLY  54          HA2       GLY  54  12.742 -12.078  -6.748
  421   2HA   GLY  54          HA1       GLY  54  13.519 -11.630  -5.232
  422    H    SER  55           HN       SER  55  14.053 -12.488  -8.396
  423    HA   SER  55           HA       SER  55  16.387 -14.049  -8.216
  424   1HB   SER  55          HB2       SER  55  14.986 -13.663 -10.282
  425   2HB   SER  55          HB1       SER  55  15.743 -12.076 -10.409
  426    HG   SER  55           HG       SER  55  17.268 -13.090 -11.425
  427    H    LEU  56           HN       LEU  56  18.508 -13.545  -8.021
  428    HA   LEU  56           HA       LEU  56  19.392 -11.462  -6.526
  429   1HB   LEU  56          HB2       LEU  56  20.663 -13.517  -7.297
  430   2HB   LEU  56          HB1       LEU  56  21.038 -12.629  -8.760
  431    HG   LEU  56           HG       LEU  56  21.813 -11.737  -5.982
  432   1HD1  LEU  56          HD11      LEU  56  24.051 -12.460  -6.527
  433   2HD1  LEU  56          HD12      LEU  56  23.517 -13.014  -8.114
  434   3HD1  LEU  56          HD13      LEU  56  22.938 -13.822  -6.657
  435   1HD2  LEU  56          HD21      LEU  56  21.687  -9.834  -7.370
  436   2HD2  LEU  56          HD22      LEU  56  22.403 -10.687  -8.736
  437   3HD2  LEU  56          HD23      LEU  56  23.390 -10.283  -7.332
  438    H    ASP  57           HN       ASP  57  19.577 -11.530 -10.093
  439    HA   ASP  57           HA       ASP  57  20.607  -8.970 -10.434
  440   1HB   ASP  57          HB2       ASP  57  18.977 -10.784 -12.148
  441   2HB   ASP  57          HB1       ASP  57  19.160  -9.096 -12.625
  442    H    GLU  58           HN       GLU  58  17.224 -10.017 -10.447
  443    HA   GLU  58           HA       GLU  58  15.957  -7.632 -10.959
  444   1HB   GLU  58          HB2       GLU  58  15.147  -9.912  -9.158
  445   2HB   GLU  58          HB1       GLU  58  14.081  -8.559  -9.515
  446   1HG   GLU  58          HG2       GLU  58  14.310  -9.101 -11.928
  447   2HG   GLU  58          HG1       GLU  58  15.221 -10.539 -11.471
  448    H    LYS  59           HN       LYS  59  17.416  -8.809  -8.034
  449    HA   LYS  59           HA       LYS  59  16.462  -6.711  -6.401
  450   1HB   LYS  59          HB2       LYS  59  18.641  -8.734  -6.029
  451   2HB   LYS  59          HB1       LYS  59  18.226  -7.546  -4.812
  452   1HG   LYS  59          HG2       LYS  59  16.510  -8.779  -4.097
  453   2HG   LYS  59          HG1       LYS  59  15.861  -8.885  -5.727
  454   1HD   LYS  59          HD2       LYS  59  16.230 -11.094  -5.216
  455   2HD   LYS  59          HD1       LYS  59  17.709 -10.671  -6.071
  456   1HE   LYS  59          HE2       LYS  59  17.562 -10.427  -3.093
  457   2HE   LYS  59          HE1       LYS  59  17.836 -11.999  -3.839
  458   1HZ   LYS  59          HZ1       LYS  59  19.845 -10.562  -3.177
  459   2HZ   LYS  59          HZ2       LYS  59  19.511  -9.692  -4.588
  460   3HZ   LYS  59          HZ3       LYS  59  19.867 -11.342  -4.676
  461    H    MET  60           HN       MET  60  19.174  -7.133  -8.471
  462    HA   MET  60           HA       MET  60  20.568  -4.844  -7.478
  463   1HB   MET  60          HB2       MET  60  21.036  -6.516  -9.957
  464   2HB   MET  60          HB1       MET  60  22.133  -5.281  -9.339
  465   1HG   MET  60          HG2       MET  60  22.230  -6.635  -7.204
  466   2HG   MET  60          HG1       MET  60  21.415  -7.917  -8.096
  467   1HE   MET  60          HE1       MET  60  24.087  -5.333  -9.386
  468   2HE   MET  60          HE2       MET  60  25.579  -6.255  -9.191
  469   3HE   MET  60          HE3       MET  60  24.666  -5.744  -7.771
  470    H    LYS  61           HN       LYS  61  18.298  -5.552 -10.041
  471    HA   LYS  61           HA       LYS  61  18.765  -3.091 -11.484
  472   1HB   LYS  61          HB2       LYS  61  16.183  -4.420 -11.935
  473   2HB   LYS  61          HB1       LYS  61  17.398  -3.905 -13.097
  474   1HG   LYS  61          HG2       LYS  61  17.372  -6.444 -11.503
  475   2HG   LYS  61          HG1       LYS  61  17.091  -6.273 -13.228
  476   1HD   LYS  61          HD2       LYS  61  19.681  -5.719 -11.779
  477   2HD   LYS  61          HD1       LYS  61  19.342  -7.079 -12.845
  478   1HE   LYS  61          HE2       LYS  61  19.026  -5.542 -14.716
  479   2HE   LYS  61          HE1       LYS  61  19.342  -4.173 -13.651
  480   1HZ   LYS  61          HZ1       LYS  61  21.572  -5.033 -13.274
  481   2HZ   LYS  61          HZ2       LYS  61  21.303  -4.766 -14.922
  482   3HZ   LYS  61          HZ3       LYS  61  21.266  -6.339 -14.306
  483    H    THR  62           HN       THR  62  15.950  -4.426  -9.806
  484    HA   THR  62           HA       THR  62  14.438  -2.121  -9.685
  485    HB   THR  62           HB       THR  62  14.575  -4.231  -7.522
  486    HG1  THR  62           HG1      THR  62  14.119  -4.842  -9.869
  487   1HG2  THR  62          HG21      THR  62  12.369  -2.329  -8.320
  488   2HG2  THR  62          HG22      THR  62  13.336  -2.243  -6.847
  489   3HG2  THR  62          HG23      THR  62  12.237  -3.598  -7.103
  490    H    LEU  63           HN       LEU  63  17.263  -3.036  -7.936
  491    HA   LEU  63           HA       LEU  63  17.295  -1.582  -5.662
  492   1HB   LEU  63          HB2       LEU  63  19.115  -3.009  -6.509
  493   2HB   LEU  63          HB1       LEU  63  19.519  -1.785  -7.691
  494    HG   LEU  63           HG       LEU  63  19.548  -0.984  -4.842
  495   1HD1  LEU  63          HD11      LEU  63  20.640  -3.156  -4.773
  496   2HD1  LEU  63          HD12      LEU  63  21.809  -1.855  -4.541
  497   3HD1  LEU  63          HD13      LEU  63  21.698  -2.675  -6.100
  498   1HD2  LEU  63          HD21      LEU  63  21.443   0.355  -5.612
  499   2HD2  LEU  63          HD22      LEU  63  20.034   0.617  -6.639
  500   3HD2  LEU  63          HD23      LEU  63  21.349  -0.416  -7.193
  501    H    ASP  64           HN       ASP  64  18.749  -0.244  -8.633
  502    HA   ASP  64           HA       ASP  64  18.737   2.410  -7.728
  503   1HB   ASP  64          HB2       ASP  64  20.186   1.686  -9.543
  504   2HB   ASP  64          HB1       ASP  64  18.789   1.333 -10.555
  505    H    VAL  65           HN       VAL  65  16.192   0.468  -8.956
  506    HA   VAL  65           HA       VAL  65  14.579   2.641  -9.934
  507    HB   VAL  65           HB       VAL  65  13.807  -0.227  -9.362
  508   1HG1  VAL  65          HG11      VAL  65  11.888   0.227 -10.815
  509   2HG1  VAL  65          HG12      VAL  65  12.388   1.912 -10.951
  510   3HG1  VAL  65          HG13      VAL  65  11.877   1.268  -9.391
  511   1HG2  VAL  65          HG21      VAL  65  14.030  -0.534 -11.787
  512   2HG2  VAL  65          HG22      VAL  65  15.560  -0.070 -11.043
  513   3HG2  VAL  65          HG23      VAL  65  14.618   1.122 -11.937
  514    H    ASN  66           HN       ASN  66  13.995   0.284  -7.310
  515    HA   ASN  66           HA       ASN  66  12.053   2.009  -6.073
  516   1HB   ASN  66          HB2       ASN  66  13.231  -0.635  -5.223
  517   2HB   ASN  66          HB1       ASN  66  11.951   0.199  -4.332
  518   1HD2  ASN  66          HD21      ASN  66  10.518  -1.500  -4.659
  519   2HD2  ASN  66          HD22      ASN  66   9.785  -1.815  -6.191
  520    H    GLN  67           HN       GLN  67  14.594   3.320  -6.077
  521    HA   GLN  67           HA       GLN  67  15.821   2.908  -3.541
  522   1HB   GLN  67          HB2       GLN  67  16.643   5.400  -4.063
  523   2HB   GLN  67          HB1       GLN  67  17.410   3.977  -4.725
  524   1HG   GLN  67          HG2       GLN  67  17.257   5.457  -6.478
  525   2HG   GLN  67          HG1       GLN  67  15.976   4.302  -6.706
  526   1HE2  GLN  67          HE21      GLN  67  14.044   5.026  -7.163
  527   2HE2  GLN  67          HE22      GLN  67  13.488   6.627  -6.863
  528    H    ASP  68           HN       ASP  68  13.610   5.214  -4.865
  529    HA   ASP  68           HA       ASP  68  13.340   6.605  -2.376
  530   1HB   ASP  68          HB2       ASP  68  12.289   6.995  -5.144
  531   2HB   ASP  68          HB1       ASP  68  11.594   7.884  -3.790
  532    H    SER  69           HN       SER  69  12.354   3.706  -2.937
  533    HA   SER  69           HA       SER  69   9.665   3.366  -2.979
  534   1HB   SER  69          HB2       SER  69  10.791   1.347  -2.726
  535   2HB   SER  69          HB1       SER  69  11.886   2.005  -1.508
  536    HG   SER  69           HG       SER  69  10.480   0.635  -0.475
  537    H    GLU  70           HN       GLU  70  11.692   4.586  -0.502
  538    HA   GLU  70           HA       GLU  70   9.381   5.496   1.080
  539   1HB   GLU  70          HB2       GLU  70  10.636   4.481   2.717
  540   2HB   GLU  70          HB1       GLU  70  12.107   4.673   1.800
  541   1HG   GLU  70          HG2       GLU  70  12.271   6.016   3.805
  542   2HG   GLU  70          HG1       GLU  70  12.173   7.083   2.410
  543    H    LEU  71           HN       LEU  71   9.390   7.722   1.632
  544    HA   LEU  71           HA       LEU  71  11.489   9.274   0.401
  545   1HB   LEU  71          HB2       LEU  71  10.070   9.094  -1.313
  546   2HB   LEU  71          HB1       LEU  71   8.649   9.021  -0.311
  547    HG   LEU  71           HG       LEU  71   8.814  10.951  -1.654
  548   1HD1  LEU  71          HD11      LEU  71   9.015  12.452   0.700
  549   2HD1  LEU  71          HD12      LEU  71   8.158  10.952   1.029
  550   3HD1  LEU  71          HD13      LEU  71   7.582  12.043  -0.228
  551   1HD2  LEU  71          HD21      LEU  71  10.518  12.624  -0.955
  552   2HD2  LEU  71          HD22      LEU  71  10.991  11.316  -1.985
  553   3HD2  LEU  71          HD23      LEU  71  11.350  11.253  -0.296
  554    H    ARG  72           HN       ARG  72  11.861  11.317   1.259
  555    HA   ARG  72           HA       ARG  72  10.305  12.109   3.604
  556   1HB   ARG  72          HB2       ARG  72  12.900  13.365   2.872
  557   2HB   ARG  72          HB1       ARG  72  12.213  13.117   4.462
  558   1HG   ARG  72          HG2       ARG  72  13.513  11.076   2.685
  559   2HG   ARG  72          HG1       ARG  72  14.123  11.699   4.221
  560   1HD   ARG  72          HD2       ARG  72  11.813   9.860   3.707
  561   2HD   ARG  72          HD1       ARG  72  13.231   9.588   4.715
  562    HE   ARG  72           HE       ARG  72  11.493  11.741   5.569
  563   1HH1  ARG  72          HH11      ARG  72  12.302   8.362   5.874
  564   2HH1  ARG  72          HH12      ARG  72  11.564   8.201   7.431
  565   1HH2  ARG  72          HH21      ARG  72  10.523  11.530   7.614
  566   2HH2  ARG  72          HH22      ARG  72  10.553   9.996   8.418
  567    H    PHE  73           HN       PHE  73  11.545  13.170   0.451
  568    HA   PHE  73           HA       PHE  73  10.062  15.641   0.663
  569   1HB   PHE  73          HB2       PHE  73  10.977  15.823  -1.852
  570   2HB   PHE  73          HB1       PHE  73  11.843  16.397  -0.455
  571    HD1  PHE  73           HD1      PHE  73  11.549  13.136  -2.295
  572    HD2  PHE  73           HD2      PHE  73  14.078  16.040  -0.562
  573    HE1  PHE  73           HE1      PHE  73  13.449  11.808  -2.954
  574    HE2  PHE  73           HE2      PHE  73  16.029  14.738  -1.270
  575    HZ   PHE  73           HZ       PHE  73  15.730  12.625  -2.484
  576    H    SER  74           HN       SER  74  10.124  14.381  -2.637
  577    HA   SER  74           HA       SER  74   7.204  14.106  -2.384
  578   1HB   SER  74          HB2       SER  74   7.344  14.724  -4.952
  579   2HB   SER  74          HB1       SER  74   7.286  15.974  -3.710
  580    HG   SER  74           HG       SER  74   8.981  16.264  -5.282
  581    H    GLU  75           HN       GLU  75   9.834  12.336  -3.028
  582    HA   GLU  75           HA       GLU  75   8.872  10.731  -5.156
  583   1HB   GLU  75          HB2       GLU  75  10.800   9.835  -3.044
  584   2HB   GLU  75          HB1       GLU  75  10.700   9.278  -4.709
  585   1HG   GLU  75          HG2       GLU  75  11.585  11.984  -3.779
  586   2HG   GLU  75          HG1       GLU  75  12.624  10.687  -4.348
  587    H    TYR  76           HN       TYR  76   7.142  10.988  -2.544
  588    HA   TYR  76           HA       TYR  76   7.039   8.490  -1.325
  589   1HB   TYR  76          HB2       TYR  76   5.435  10.933  -1.299
  590   2HB   TYR  76          HB1       TYR  76   4.497   9.478  -0.987
  591    HD1  TYR  76           HD1      TYR  76   7.014   8.129   0.400
  592    HD2  TYR  76           HD2      TYR  76   4.946  11.806   0.889
  593    HE1  TYR  76           HE1      TYR  76   7.835   8.240   2.637
  594    HE2  TYR  76           HE2      TYR  76   5.768  11.932   3.204
  595    HH   TYR  76           HH       TYR  76   8.230   9.937   4.407
  596    H    TRP  77           HN       TRP  77   5.814   9.617  -4.281
  597    HA   TRP  77           HA       TRP  77   3.748   7.766  -4.717
  598   1HB   TRP  77          HB2       TRP  77   4.160   8.115  -7.112
  599   2HB   TRP  77          HB1       TRP  77   4.233   9.654  -6.258
  600    HD1  TRP  77           HD1      TRP  77   6.755   6.925  -7.365
  601    HE1  TRP  77           HE1      TRP  77   8.906   8.095  -8.106
  602    HE3  TRP  77           HE3      TRP  77   5.407  11.752  -6.437
  603    HZ2  TRP  77           HZ2      TRP  77   9.915  10.740  -8.288
  604    HZ3  TRP  77           HZ3      TRP  77   7.011  13.545  -6.906
  605    HH2  TRP  77           HH2      TRP  77   9.223  13.052  -7.819
  606    H    ARG  78           HN       ARG  78   7.082   7.265  -4.191
  607    HA   ARG  78           HA       ARG  78   7.375   4.966  -5.865
  608   1HB   ARG  78          HB2       ARG  78   9.043   6.288  -3.750
  609   2HB   ARG  78          HB1       ARG  78   9.525   4.738  -4.438
  610   1HG   ARG  78          HG2       ARG  78   8.911   7.129  -6.130
  611   2HG   ARG  78          HG1       ARG  78  10.504   6.845  -5.458
  612   1HD   ARG  78          HD2       ARG  78  10.619   4.693  -6.589
  613   2HD   ARG  78          HD1       ARG  78   8.995   4.938  -7.230
  614    HE   ARG  78           HE       ARG  78  10.807   7.039  -7.942
  615   1HH1  ARG  78          HH11      ARG  78   9.695   3.844  -8.772
  616   2HH1  ARG  78          HH12      ARG  78  10.150   3.978 -10.437
  617   1HH2  ARG  78          HH21      ARG  78  11.411   7.226 -10.135
  618   2HH2  ARG  78          HH22      ARG  78  11.125   5.900 -11.213
  619    H    LEU  79           HN       LEU  79   6.505   5.684  -2.546
  620    HA   LEU  79           HA       LEU  79   6.581   3.027  -1.598
  621   1HB   LEU  79          HB2       LEU  79   4.393   4.610  -0.481
  622   2HB   LEU  79          HB1       LEU  79   5.685   3.769   0.325
  623    HG   LEU  79           HG       LEU  79   6.679   6.221  -0.894
  624   1HD1  LEU  79          HD11      LEU  79   5.023   7.641  -0.409
  625   2HD1  LEU  79          HD12      LEU  79   5.132   7.174   1.281
  626   3HD1  LEU  79          HD13      LEU  79   4.029   6.331   0.202
  627   1HD2  LEU  79          HD21      LEU  79   7.664   6.499   1.205
  628   2HD2  LEU  79          HD22      LEU  79   7.593   4.753   1.006
  629   3HD2  LEU  79          HD23      LEU  79   6.411   5.568   2.023
  630    H    ILE  80           HN       ILE  80   4.531   4.700  -3.759
  631    HA   ILE  80           HA       ILE  80   2.096   3.625  -3.384
  632    HB   ILE  80           HB       ILE  80   2.974   5.317  -5.173
  633   1HG1  ILE  80          HG12      ILE  80   0.644   3.452  -5.680
  634   2HG1  ILE  80          HG11      ILE  80   0.615   4.923  -4.712
  635   1HG2  ILE  80          HG21      ILE  80   3.017   4.436  -7.429
  636   2HG2  ILE  80          HG22      ILE  80   2.867   2.795  -6.802
  637   3HG2  ILE  80          HG23      ILE  80   4.305   3.747  -6.446
  638   1HD1  ILE  80          HD11      ILE  80   1.114   4.775  -7.677
  639   2HD1  ILE  80          HD12      ILE  80   1.074   6.246  -6.708
  640   3HD1  ILE  80          HD13      ILE  80  -0.386   5.277  -6.896
  641    H    GLY  81           HN       GLY  81   4.581   2.129  -5.474
  642   1HA   GLY  81          HA2       GLY  81   3.006  -0.298  -5.638
  643   2HA   GLY  81          HA1       GLY  81   4.572  -0.021  -6.384
  644    H    GLU  82           HN       GLU  82   4.737   0.930  -3.199
  645    HA   GLU  82           HA       GLU  82   6.284  -1.429  -2.568
  646   1HB   GLU  82          HB2       GLU  82   5.720   1.084  -1.020
  647   2HB   GLU  82          HB1       GLU  82   6.780  -0.198  -0.458
  648   1HG   GLU  82          HG2       GLU  82   7.181   1.361  -2.988
  649   2HG   GLU  82          HG1       GLU  82   8.024   1.680  -1.472
  650    H    LEU  83           HN       LEU  83   3.811   0.355  -0.719
  651    HA   LEU  83           HA       LEU  83   3.176  -1.530   1.142
  652   1HB   LEU  83          HB2       LEU  83   1.513   0.519  -0.260
  653   2HB   LEU  83          HB1       LEU  83   0.762  -0.586   0.873
  654    HG   LEU  83           HG       LEU  83   3.146   1.033   1.692
  655   1HD1  LEU  83          HD11      LEU  83   1.641   2.763   2.518
  656   2HD1  LEU  83          HD12      LEU  83   0.262   1.917   1.819
  657   3HD1  LEU  83          HD13      LEU  83   1.500   2.605   0.768
  658   1HD2  LEU  83          HD21      LEU  83   1.875   0.822   3.899
  659   2HD2  LEU  83          HD22      LEU  83   2.631  -0.634   3.253
  660   3HD2  LEU  83          HD23      LEU  83   0.893  -0.389   3.076
  661    H    ALA  84           HN       ALA  84   2.377  -1.528  -2.225
  662    HA   ALA  84           HA       ALA  84   0.427  -3.595  -2.040
  663   1HB   ALA  84          HB1       ALA  84   1.024  -3.675  -4.608
  664   2HB   ALA  84          HB2       ALA  84   1.779  -2.128  -4.229
  665   3HB   ALA  84          HB3       ALA  84   0.060  -2.370  -3.921
  666    H    LYS  85           HN       LYS  85   3.904  -3.502  -2.649
  667    HA   LYS  85           HA       LYS  85   4.412  -5.988  -3.688
  668   1HB   LYS  85          HB2       LYS  85   6.582  -5.857  -2.752
  669   2HB   LYS  85          HB1       LYS  85   6.087  -4.189  -3.000
  670   1HG   LYS  85          HG2       LYS  85   5.239  -4.547  -0.477
  671   2HG   LYS  85          HG1       LYS  85   6.599  -5.666  -0.508
  672   1HD   LYS  85          HD2       LYS  85   6.682  -2.738  -1.231
  673   2HD   LYS  85          HD1       LYS  85   7.309  -3.461   0.254
  674   1HE   LYS  85          HE2       LYS  85   8.665  -4.940  -1.464
  675   2HE   LYS  85          HE1       LYS  85   8.377  -3.555  -2.519
  676   1HZ   LYS  85          HZ1       LYS  85   9.357  -2.134  -0.788
  677   2HZ   LYS  85          HZ2       LYS  85  10.452  -3.270  -1.395
  678   3HZ   LYS  85          HZ3       LYS  85   9.735  -3.511   0.118
  679    H    GLU  86           HN       GLU  86   3.280  -5.178  -0.548
  680    HA   GLU  86           HA       GLU  86   3.664  -7.791   0.571
  681   1HB   GLU  86          HB2       GLU  86   1.891  -5.631   1.680
  682   2HB   GLU  86          HB1       GLU  86   2.759  -6.885   2.550
  683   1HG   GLU  86          HG2       GLU  86   4.059  -4.629   1.069
  684   2HG   GLU  86          HG1       GLU  86   3.705  -4.626   2.783
  685    H    VAL  87           HN       VAL  87   1.060  -5.842  -0.726
  686    HA   VAL  87           HA       VAL  87  -0.922  -7.840  -0.248
  687    HB   VAL  87           HB       VAL  87  -0.991  -5.203  -1.710
  688   1HG1  VAL  87          HG11      VAL  87  -3.254  -7.162  -1.372
  689   2HG1  VAL  87          HG12      VAL  87  -2.536  -6.625  -2.886
  690   3HG1  VAL  87          HG13      VAL  87  -3.437  -5.491  -1.895
  691   1HG2  VAL  87          HG21      VAL  87  -0.888  -4.990   0.668
  692   2HG2  VAL  87          HG22      VAL  87  -2.184  -6.167   0.878
  693   3HG2  VAL  87          HG23      VAL  87  -2.526  -4.601   0.142
  694    H    ARG  88           HN       ARG  88   1.450  -7.490  -2.583
  695    HA   ARG  88           HA       ARG  88   0.001  -8.293  -4.880
  696   1HB   ARG  88          HB2       ARG  88   2.283  -7.137  -4.742
  697   2HB   ARG  88          HB1       ARG  88   2.944  -8.741  -4.445
  698   1HG   ARG  88          HG2       ARG  88   1.320  -8.017  -6.873
  699   2HG   ARG  88          HG1       ARG  88   3.082  -7.985  -6.811
  700   1HD   ARG  88          HD2       ARG  88   3.001 -10.403  -6.136
  701   2HD   ARG  88          HD1       ARG  88   1.272 -10.370  -6.479
  702    HE   ARG  88           HE       ARG  88   2.757  -9.423  -8.699
  703   1HH1  ARG  88          HH11      ARG  88   1.884 -12.336  -7.003
  704   2HH1  ARG  88          HH12      ARG  88   2.032 -13.349  -8.400
  705   1HH2  ARG  88          HH21      ARG  88   2.957 -10.748 -10.546
  706   2HH2  ARG  88          HH22      ARG  88   2.644 -12.446 -10.415
  707    H    LYS  89           HN       LYS  89   2.129 -10.153  -2.697
  708    HA   LYS  89           HA       LYS  89   1.301 -12.587  -4.017
  709   1HB   LYS  89          HB2       LYS  89   2.710 -13.774  -2.374
  710   2HB   LYS  89          HB1       LYS  89   3.569 -12.601  -3.333
  711   1HG   LYS  89          HG2       LYS  89   2.632 -12.020  -0.538
  712   2HG   LYS  89          HG1       LYS  89   4.151 -12.798  -0.877
  713   1HD   LYS  89          HD2       LYS  89   3.357  -9.975  -1.192
  714   2HD   LYS  89          HD1       LYS  89   4.909 -10.669  -0.749
  715   1HE   LYS  89          HE2       LYS  89   3.764 -10.403  -3.528
  716   2HE   LYS  89          HE1       LYS  89   5.121  -9.518  -2.853
  717   1HZ   LYS  89          HZ1       LYS  89   5.147 -11.976  -4.185
  718   2HZ   LYS  89          HZ2       LYS  89   5.682 -12.235  -2.601
  719   3HZ   LYS  89          HZ3       LYS  89   6.455 -11.093  -3.581
  720    H    GLU  90           HN       GLU  90   0.589 -10.764  -1.185
  721    HA   GLU  90           HA       GLU  90  -0.795 -12.684   0.286
  722   1HB   GLU  90          HB2       GLU  90  -0.906  -9.692   0.126
  723   2HB   GLU  90          HB1       GLU  90  -2.048 -10.572   1.143
  724   1HG   GLU  90          HG2       GLU  90   0.940 -10.810   1.310
  725   2HG   GLU  90          HG1       GLU  90  -0.038  -9.763   2.338
  726    H    LYS  91           HN       LYS  91  -1.563 -11.174  -2.692
  727    HA   LYS  91           HA       LYS  91  -4.333 -11.165  -2.666
  728   1HB   LYS  91          HB2       LYS  91  -4.258 -11.072  -5.007
  729   2HB   LYS  91          HB1       LYS  91  -2.792 -10.276  -4.470
  730   1HG   LYS  91          HG2       LYS  91  -1.542 -12.362  -4.913
  731   2HG   LYS  91          HG1       LYS  91  -3.025 -13.075  -5.549
  732   1HD   LYS  91          HD2       LYS  91  -3.135 -11.366  -7.274
  733   2HD   LYS  91          HD1       LYS  91  -1.696 -10.585  -6.618
  734   1HE   LYS  91          HE2       LYS  91  -0.382 -12.584  -7.112
  735   2HE   LYS  91          HE1       LYS  91  -1.822 -13.377  -7.753
  736   1HZ   LYS  91          HZ1       LYS  91  -0.444 -12.461  -9.516
  737   2HZ   LYS  91          HZ2       LYS  91  -0.579 -10.911  -8.852
  738   3HZ   LYS  91          HZ3       LYS  91  -1.948 -11.686  -9.471
  739    H    ALA  92           HN       ALA  92  -2.107 -13.718  -3.597
  740    HA   ALA  92           HA       ALA  92  -4.224 -15.658  -3.914
  741   1HB   ALA  92          HB1       ALA  92  -2.448 -17.223  -4.475
  742   2HB   ALA  92          HB2       ALA  92  -1.234 -16.053  -3.960
  743   3HB   ALA  92          HB3       ALA  92  -2.248 -15.713  -5.363
  744    H    LEU  93           HN       LEU  93  -2.182 -14.634  -1.320
  745    HA   LEU  93           HA       LEU  93  -2.530 -17.108   0.147
  746   1HB   LEU  93          HB2       LEU  93  -0.493 -15.656   0.400
  747   2HB   LEU  93          HB1       LEU  93  -1.515 -14.492   1.231
  748    HG   LEU  93           HG       LEU  93  -1.667 -17.251   2.266
  749   1HD1  LEU  93          HD11      LEU  93   0.817 -15.560   2.631
  750   2HD1  LEU  93          HD12      LEU  93   0.725 -17.118   1.810
  751   3HD1  LEU  93          HD13      LEU  93   0.427 -17.017   3.545
  752   1HD2  LEU  93          HD21      LEU  93  -2.870 -15.405   3.295
  753   2HD2  LEU  93          HD22      LEU  93  -1.359 -14.529   3.542
  754   3HD2  LEU  93          HD23      LEU  93  -1.654 -16.040   4.402
  755    H    GLY  94           HN       GLY  94  -4.055 -13.958   0.034
  756   1HA   GLY  94          HA2       GLY  94  -5.436 -13.746   2.364
  757   2HA   GLY  94          HA1       GLY  94  -6.160 -13.361   0.810
  758    H    ILE  95           HN       ILE  95  -6.118 -16.007  -0.217
  759    HA   ILE  95           HA       ILE  95  -8.609 -16.855   0.769
  760    HB   ILE  95           HB       ILE  95  -8.242 -18.882  -0.650
  761   1HG1  ILE  95          HG12      ILE  95  -5.833 -17.465  -1.700
  762   2HG1  ILE  95          HG11      ILE  95  -5.664 -18.624  -0.386
  763   1HG2  ILE  95          HG21      ILE  95  -9.363 -16.906  -1.467
  764   2HG2  ILE  95          HG22      ILE  95  -8.383 -17.628  -2.744
  765   3HG2  ILE  95          HG23      ILE  95  -7.811 -16.193  -1.893
  766   1HD1  ILE  95          HD11      ILE  95  -6.815 -19.189  -3.108
  767   2HD1  ILE  95          HD12      ILE  95  -6.639 -20.356  -1.798
  768   3HD1  ILE  95          HD13      ILE  95  -5.208 -19.644  -2.544
  769    H    ARG  96           HN       ARG  96  -7.752 -16.838   3.049
  770    HA   ARG  96           HA       ARG  96  -6.219 -18.991   4.014
  771   1HB   ARG  96          HB2       ARG  96  -7.034 -18.380   6.196
  772   2HB   ARG  96          HB1       ARG  96  -6.727 -16.908   5.278
  773   1HG   ARG  96          HG2       ARG  96  -8.748 -16.365   6.153
  774   2HG   ARG  96          HG1       ARG  96  -9.305 -17.196   4.698
  775   1HD   ARG  96          HD2       ARG  96  -9.423 -19.297   6.075
  776   2HD   ARG  96          HD1       ARG  96  -9.121 -18.301   7.494
  777    HE   ARG  96           HE       ARG  96 -11.317 -17.314   5.977
  778   1HH1  ARG  96          HH11      ARG  96 -10.392 -19.778   8.260
  779   2HH1  ARG  96          HH12      ARG  96 -11.989 -19.968   8.900
  780   1HH2  ARG  96          HH21      ARG  96 -13.425 -17.556   6.814
  781   2HH2  ARG  96          HH22      ARG  96 -13.714 -18.705   8.079
  782    H    LYS  97           HN       LYS  97  -9.422 -18.713   2.831
  783    HA   LYS  97           HA       LYS  97 -10.393 -21.143   4.047
  784   1HB   LYS  97          HB2       LYS  97 -11.729 -19.924   1.675
  785   2HB   LYS  97          HB1       LYS  97 -12.442 -20.603   3.126
  786   1HG   LYS  97          HG2       LYS  97 -11.833 -18.575   4.372
  787   2HG   LYS  97          HG1       LYS  97 -11.126 -17.879   2.899
  788   1HD   LYS  97          HD2       LYS  97 -13.924 -18.846   2.766
  789   2HD   LYS  97          HD1       LYS  97 -13.597 -17.337   3.626
  790   1HE   LYS  97          HE2       LYS  97 -14.002 -16.691   1.399
  791   2HE   LYS  97          HE1       LYS  97 -12.248 -16.649   1.595
  792   1HZ   LYS  97          HZ1       LYS  97 -11.974 -18.552   0.339
  793   2HZ   LYS  97          HZ2       LYS  97 -13.228 -17.768  -0.481
  794   3HZ   LYS  97          HZ3       LYS  97 -13.574 -19.065   0.546
  795    H    LYS  98           HN       LYS  98  -8.671 -22.527   3.277
  796    HA   LYS  98           HA       LYS  98  -8.797 -23.099   0.392
  797   1HB   LYS  98          HB2       LYS  98  -6.593 -23.980   2.248
  798   2HB   LYS  98          HB1       LYS  98  -6.572 -23.914   0.493
  799   1HG   LYS  98          HG2       LYS  98  -6.736 -21.401   0.690
  800   2HG   LYS  98          HG1       LYS  98  -6.479 -21.608   2.422
  801   1HD   LYS  98          HD2       LYS  98  -4.326 -22.548   2.072
  802   2HD   LYS  98          HD1       LYS  98  -4.605 -22.697   0.335
  803   1HE   LYS  98          HE2       LYS  98  -3.173 -20.808   0.725
  804   2HE   LYS  98          HE1       LYS  98  -4.753 -20.226   0.199
  805   1HZ   LYS  98          HZ1       LYS  98  -5.309 -19.735   2.482
  806   2HZ   LYS  98          HZ2       LYS  98  -3.876 -18.943   2.061
  807   3HZ   LYS  98          HZ3       LYS  98  -3.823 -20.338   3.017
  808   1H    MET   1          HT1       MET   1  18.447  -3.667  -3.562
  809   2H    MET   1          HT2       MET   1  19.243  -4.527  -2.347
  810   3H    MET   1          HT3       MET   1  17.850  -3.644  -1.978
  811    HA   MET   1           HA       MET   1  18.052  -6.080  -3.633
  812   1HB   MET   1          HB2       MET   1  16.961  -5.430  -0.938
  813   2HB   MET   1          HB1       MET   1  16.229  -6.735  -1.843
  814   1HG   MET   1          HG2       MET   1  19.083  -6.512  -0.884
  815   2HG   MET   1          HG1       MET   1  17.872  -7.656  -0.349
  816   1HE   MET   1          HE1       MET   1  19.939  -6.395  -3.445
  817   2HE   MET   1          HE2       MET   1  20.705  -7.917  -3.894
  818   3HE   MET   1          HE3       MET   1  20.996  -7.221  -2.300
  819    H    ALA   2           HN       ALA   2  15.709  -6.948  -3.968
  820    HA   ALA   2           HA       ALA   2  14.161  -4.709  -5.096
  821   1HB   ALA   2          HB1       ALA   2  14.470  -7.545  -6.006
  822   2HB   ALA   2          HB2       ALA   2  14.736  -6.054  -6.910
  823   3HB   ALA   2          HB3       ALA   2  13.098  -6.562  -6.515
  824    H    ALA   3           HN       ALA   3  11.806  -4.987  -5.167
  825    HA   ALA   3           HA       ALA   3  10.789  -5.663  -2.603
  826   1HB   ALA   3          HB1       ALA   3   9.340  -5.091  -5.193
  827   2HB   ALA   3          HB2       ALA   3   9.750  -3.918  -3.942
  828   3HB   ALA   3          HB3       ALA   3   8.580  -5.197  -3.606
  829    H    GLU   4           HN       GLU   4  11.635  -7.837  -2.525
  830    HA   GLU   4           HA       GLU   4  10.681  -9.870  -4.248
  831   1HB   GLU   4          HB2       GLU   4  12.776  -9.877  -2.794
  832   2HB   GLU   4          HB1       GLU   4  11.713 -10.239  -1.437
  833   1HG   GLU   4          HG2       GLU   4  12.851 -11.997  -3.375
  834   2HG   GLU   4          HG1       GLU   4  11.975 -12.374  -1.901
  835    H    THR   5           HN       THR   5  10.042 -11.409  -1.411
  836    HA   THR   5           HA       THR   5   7.261 -11.343  -1.864
  837    HB   THR   5           HB       THR   5   8.255 -12.347   0.747
  838    HG1  THR   5           HG1      THR   5   9.764 -13.490  -0.216
  839   1HG2  THR   5          HG21      THR   5   5.913 -12.482  -0.438
  840   2HG2  THR   5          HG22      THR   5   6.519 -13.839   0.501
  841   3HG2  THR   5          HG23      THR   5   6.646 -13.858  -1.257
  842    H    LEU   6           HN       LEU   6   6.470 -11.364   1.043
  843    HA   LEU   6           HA       LEU   6   5.626  -8.675   1.183
  844   1HB   LEU   6          HB2       LEU   6   5.533 -10.944   3.158
  845   2HB   LEU   6          HB1       LEU   6   4.831  -9.382   3.473
  846    HG   LEU   6           HG       LEU   6   3.653  -9.990   1.109
  847   1HD1  LEU   6          HD11      LEU   6   4.597 -12.200   0.975
  848   2HD1  LEU   6          HD12      LEU   6   2.877 -12.336   1.343
  849   3HD1  LEU   6          HD13      LEU   6   4.070 -12.565   2.618
  850   1HD2  LEU   6          HD21      LEU   6   1.983  -9.463   2.473
  851   2HD2  LEU   6          HD22      LEU   6   2.967  -9.838   3.887
  852   3HD2  LEU   6          HD23      LEU   6   2.028 -11.108   3.106
  853    H    THR   7           HN       THR   7   7.256  -7.190   1.434
  854    HA   THR   7           HA       THR   7   9.406  -7.563   3.269
  855    HB   THR   7           HB       THR   7   8.870  -4.780   2.642
  856    HG1  THR   7           HG1      THR   7   7.971  -5.278   0.755
  857   1HG2  THR   7          HG21      THR   7  11.071  -6.749   2.374
  858   2HG2  THR   7          HG22      THR   7  11.059  -5.138   3.092
  859   3HG2  THR   7          HG23      THR   7  11.118  -5.324   1.337
  860    H    GLU   8           HN       GLU   8   9.795  -5.665   4.926
  861    HA   GLU   8           HA       GLU   8   8.238  -6.031   7.115
  862   1HB   GLU   8          HB2       GLU   8   9.268  -3.268   6.554
  863   2HB   GLU   8          HB1       GLU   8   9.203  -4.125   8.088
  864   1HG   GLU   8          HG2       GLU   8  11.113  -4.538   5.811
  865   2HG   GLU   8          HG1       GLU   8  11.469  -4.018   7.456
  866    H    LEU   9           HN       LEU   9   7.526  -4.014   4.405
  867    HA   LEU   9           HA       LEU   9   5.551  -2.360   5.392
  868   1HB   LEU   9          HB2       LEU   9   5.506  -3.599   2.675
  869   2HB   LEU   9          HB1       LEU   9   4.936  -2.018   3.137
  870    HG   LEU   9           HG       LEU   9   7.738  -2.971   2.694
  871   1HD1  LEU   9          HD11      LEU   9   6.321  -1.915   0.913
  872   2HD1  LEU   9          HD12      LEU   9   7.877  -1.145   1.218
  873   3HD1  LEU   9          HD13      LEU   9   6.397  -0.427   1.853
  874   1HD2  LEU   9          HD21      LEU   9   6.881  -0.710   4.468
  875   2HD2  LEU   9          HD22      LEU   9   8.417  -0.672   3.609
  876   3HD2  LEU   9          HD23      LEU   9   8.086  -1.959   4.765
  877    H    GLU  10           HN       GLU  10   5.310  -5.792   4.640
  878    HA   GLU  10           HA       GLU  10   2.530  -5.969   4.278
  879   1HB   GLU  10          HB2       GLU  10   2.861  -8.285   5.448
  880   2HB   GLU  10          HB1       GLU  10   3.599  -7.996   3.878
  881   1HG   GLU  10          HG2       GLU  10   5.653  -8.217   4.685
  882   2HG   GLU  10          HG1       GLU  10   5.305  -7.228   6.098
  883    H    ALA  11           HN       ALA  11   4.509  -5.629   7.154
  884    HA   ALA  11           HA       ALA  11   2.631  -6.131   9.140
  885   1HB   ALA  11          HB1       ALA  11   3.931  -4.590  10.549
  886   2HB   ALA  11          HB2       ALA  11   4.775  -3.999   9.118
  887   3HB   ALA  11          HB3       ALA  11   4.983  -5.670   9.637
  888    H    ALA  12           HN       ALA  12   3.026  -3.488   6.929
  889    HA   ALA  12           HA       ALA  12   1.229  -1.682   8.178
  890   1HB   ALA  12          HB1       ALA  12   1.947  -1.768   5.254
  891   2HB   ALA  12          HB2       ALA  12   2.985  -1.063   6.492
  892   3HB   ALA  12          HB3       ALA  12   1.387  -0.381   6.187
  893    H    ILE  13           HN       ILE  13   0.872  -4.371   5.952
  894    HA   ILE  13           HA       ILE  13  -1.637  -3.852   4.928
  895    HB   ILE  13           HB       ILE  13  -0.405  -6.503   5.646
  896   1HG1  ILE  13          HG12      ILE  13  -1.059  -5.454   2.905
  897   2HG1  ILE  13          HG11      ILE  13   0.436  -4.996   3.721
  898   1HG2  ILE  13          HG21      ILE  13  -2.798  -6.818   5.778
  899   2HG2  ILE  13          HG22      ILE  13  -2.178  -7.572   4.309
  900   3HG2  ILE  13          HG23      ILE  13  -3.015  -6.022   4.220
  901   1HD1  ILE  13          HD11      ILE  13   1.212  -7.231   3.711
  902   2HD1  ILE  13          HD12      ILE  13   0.534  -6.951   2.108
  903   3HD1  ILE  13          HD13      ILE  13  -0.384  -7.857   3.306
  904    H    GLU  14           HN       GLU  14  -0.635  -4.846   8.090
  905    HA   GLU  14           HA       GLU  14  -3.056  -5.790   9.135
  906   1HB   GLU  14          HB2       GLU  14  -0.705  -4.482  10.503
  907   2HB   GLU  14          HB1       GLU  14  -2.031  -5.264  11.353
  908   1HG   GLU  14          HG2       GLU  14  -0.148  -6.598   9.418
  909   2HG   GLU  14          HG1       GLU  14  -0.085  -6.718  11.176
  910    H    THR  15           HN       THR  15  -1.686  -2.481   9.114
  911    HA   THR  15           HA       THR  15  -3.737  -1.375  10.665
  912    HB   THR  15           HB       THR  15  -1.913  -0.047   8.669
  913    HG1  THR  15           HG1      THR  15  -0.860   0.597  10.712
  914   1HG2  THR  15          HG21      THR  15  -3.836   1.365   9.068
  915   2HG2  THR  15          HG22      THR  15  -2.441   2.036   9.914
  916   3HG2  THR  15          HG23      THR  15  -3.674   1.149  10.811
  917    H    VAL  16           HN       VAL  16  -3.079  -1.280   7.215
  918    HA   VAL  16           HA       VAL  16  -5.425  -0.009   6.361
  919    HB   VAL  16           HB       VAL  16  -3.386  -0.311   4.973
  920   1HG1  VAL  16          HG11      VAL  16  -4.299  -3.177   4.776
  921   2HG1  VAL  16          HG12      VAL  16  -2.895  -2.601   5.674
  922   3HG1  VAL  16          HG13      VAL  16  -2.943  -2.447   3.919
  923   1HG2  VAL  16          HG21      VAL  16  -4.689  -1.242   2.898
  924   2HG2  VAL  16          HG22      VAL  16  -5.179   0.276   3.639
  925   3HG2  VAL  16          HG23      VAL  16  -6.068  -1.198   3.995
  926    H    VAL  17           HN       VAL  17  -4.701  -3.444   6.844
  927    HA   VAL  17           HA       VAL  17  -7.198  -4.298   5.765
  928    HB   VAL  17           HB       VAL  17  -5.123  -5.712   5.849
  929   1HG1  VAL  17          HG11      VAL  17  -5.956  -6.372   8.660
  930   2HG1  VAL  17          HG12      VAL  17  -4.702  -5.187   8.305
  931   3HG1  VAL  17          HG13      VAL  17  -4.494  -6.864   7.804
  932   1HG2  VAL  17          HG21      VAL  17  -6.365  -7.798   6.220
  933   2HG2  VAL  17          HG22      VAL  17  -7.282  -6.637   5.259
  934   3HG2  VAL  17          HG23      VAL  17  -7.670  -6.873   6.963
  935    H    SER  18           HN       SER  18  -5.923  -3.751   8.998
  936    HA   SER  18           HA       SER  18  -8.340  -4.628  10.285
  937   1HB   SER  18          HB2       SER  18  -6.189  -4.950  11.398
  938   2HB   SER  18          HB1       SER  18  -5.913  -3.208  11.404
  939    HG   SER  18           HG       SER  18  -6.769  -3.537  13.352
  940    H    THR  19           HN       THR  19  -7.329  -1.717   8.837
  941    HA   THR  19           HA       THR  19  -8.969  -0.061  10.541
  942    HB   THR  19           HB       THR  19  -8.422   1.756   8.820
  943    HG1  THR  19           HG1      THR  19  -7.351  -0.326   7.529
  944   1HG2  THR  19          HG21      THR  19  -7.332   1.823  10.904
  945   2HG2  THR  19          HG22      THR  19  -6.046   1.926   9.702
  946   3HG2  THR  19          HG23      THR  19  -6.358   0.403  10.534
  947    H    PHE  20           HN       PHE  20  -9.061   0.397   7.073
  948    HA   PHE  20           HA       PHE  20 -11.910   0.665   7.144
  949   1HB   PHE  20          HB2       PHE  20 -10.741   2.209   5.797
  950   2HB   PHE  20          HB1       PHE  20  -9.774   0.937   5.063
  951    HD1  PHE  20           HD1      PHE  20 -10.199   0.549   2.873
  952    HD2  PHE  20           HD2      PHE  20 -13.410   1.746   5.395
  953    HE1  PHE  20           HE1      PHE  20 -11.723   0.484   0.950
  954    HE2  PHE  20           HE2      PHE  20 -14.943   1.680   3.474
  955    HZ   PHE  20           HZ       PHE  20 -14.091   1.045   1.245
  956    H    PHE  21           HN       PHE  21  -9.648  -1.640   5.786
  957    HA   PHE  21           HA       PHE  21 -11.450  -3.039   4.264
  958   1HB   PHE  21          HB2       PHE  21  -8.997  -4.039   5.706
  959   2HB   PHE  21          HB1       PHE  21  -9.815  -4.907   4.428
  960    HD1  PHE  21           HD1      PHE  21 -10.101  -1.619   3.486
  961    HD2  PHE  21           HD2      PHE  21  -7.159  -4.667   3.878
  962    HE1  PHE  21           HE1      PHE  21  -8.683  -0.464   1.861
  963    HE2  PHE  21           HE2      PHE  21  -5.739  -3.507   2.262
  964    HZ   PHE  21           HZ       PHE  21  -6.496  -1.402   1.232
  965    H    THR  22           HN       THR  22 -11.248  -2.870   7.662
  966    HA   THR  22           HA       THR  22 -12.358  -5.334   8.358
  967    HB   THR  22           HB       THR  22 -13.165  -4.237  10.397
  968    HG1  THR  22           HG1      THR  22 -13.557  -2.189   9.066
  969   1HG2  THR  22          HG21      THR  22 -10.997  -3.461  11.201
  970   2HG2  THR  22          HG22      THR  22 -10.424  -3.358   9.533
  971   3HG2  THR  22          HG23      THR  22 -10.833  -4.923  10.231
  972    H    PHE  23           HN       PHE  23 -13.687  -2.668   6.675
  973    HA   PHE  23           HA       PHE  23 -16.392  -3.022   7.319
  974   1HB   PHE  23          HB2       PHE  23 -16.604  -1.178   6.091
  975   2HB   PHE  23          HB1       PHE  23 -14.879  -1.266   5.788
  976    HD1  PHE  23           HD1      PHE  23 -17.933  -2.906   4.315
  977    HD2  PHE  23           HD2      PHE  23 -14.308  -0.816   3.713
  978    HE1  PHE  23           HE1      PHE  23 -18.344  -2.904   1.903
  979    HE2  PHE  23           HE2      PHE  23 -14.703  -0.796   1.301
  980    HZ   PHE  23           HZ       PHE  23 -16.733  -1.829   0.403
  981    H    ALA  24           HN       ALA  24 -14.262  -5.002   5.587
  982    HA   ALA  24           HA       ALA  24 -15.714  -6.281   3.652
  983   1HB   ALA  24          HB1       ALA  24 -13.430  -6.873   5.092
  984   2HB   ALA  24          HB2       ALA  24 -14.115  -7.856   3.797
  985   3HB   ALA  24          HB3       ALA  24 -14.508  -8.214   5.478
  986    H    GLY  25           HN       GLY  25 -15.925  -6.741   7.123
  987   1HA   GLY  25          HA2       GLY  25 -17.688  -8.691   7.554
  988   2HA   GLY  25          HA1       GLY  25 -17.796  -7.172   8.428
  989    H    ARG  26           HN       ARG  26 -18.504  -5.665   5.946
  990    HA   ARG  26           HA       ARG  26 -21.210  -5.492   6.049
  991   1HB   ARG  26          HB2       ARG  26 -19.941  -3.982   4.655
  992   2HB   ARG  26          HB1       ARG  26 -19.435  -5.296   3.604
  993   1HG   ARG  26          HG2       ARG  26 -21.081  -4.405   2.323
  994   2HG   ARG  26          HG1       ARG  26 -22.049  -5.544   3.258
  995   1HD   ARG  26          HD2       ARG  26 -22.533  -3.703   4.865
  996   2HD   ARG  26          HD1       ARG  26 -21.697  -2.603   3.770
  997    HE   ARG  26           HE       ARG  26 -23.656  -3.931   2.302
  998   1HH1  ARG  26          HH11      ARG  26 -23.439  -1.672   4.942
  999   2HH1  ARG  26          HH12      ARG  26 -24.958  -0.917   4.592
 1000   1HH2  ARG  26          HH21      ARG  26 -25.659  -2.946   1.831
 1001   2HH2  ARG  26          HH22      ARG  26 -26.221  -1.641   2.822
 1002    H    GLU  27           HN       GLU  27 -19.387  -7.555   3.859
 1003    HA   GLU  27           HA       GLU  27 -21.727  -9.136   3.189
 1004   1HB   GLU  27          HB2       GLU  27 -18.829  -9.682   2.512
 1005   2HB   GLU  27          HB1       GLU  27 -20.239 -10.407   1.752
 1006   1HG   GLU  27          HG2       GLU  27 -19.404  -7.522   1.608
 1007   2HG   GLU  27          HG1       GLU  27 -19.311  -8.719   0.316
 1008    H    GLY  28           HN       GLY  28 -22.410 -10.880   4.236
 1009   1HA   GLY  28          HA2       GLY  28 -21.682 -11.720   6.690
 1010   2HA   GLY  28          HA1       GLY  28 -22.403 -12.800   5.514
 1011    H    ARG  29           HN       ARG  29 -21.065 -14.184   4.302
 1012    HA   ARG  29           HA       ARG  29 -19.191 -15.597   5.621
 1013   1HB   ARG  29          HB2       ARG  29 -20.182 -16.253   3.456
 1014   2HB   ARG  29          HB1       ARG  29 -19.157 -15.083   2.640
 1015   1HG   ARG  29          HG2       ARG  29 -17.160 -16.339   3.265
 1016   2HG   ARG  29          HG1       ARG  29 -18.157 -17.464   4.201
 1017   1HD   ARG  29          HD2       ARG  29 -17.522 -18.334   1.972
 1018   2HD   ARG  29          HD1       ARG  29 -19.266 -18.226   2.211
 1019    HE   ARG  29           HE       ARG  29 -18.259 -15.880   0.969
 1020   1HH1  ARG  29          HH11      ARG  29 -19.065 -19.210   0.347
 1021   2HH1  ARG  29          HH12      ARG  29 -19.407 -18.949  -1.331
 1022   1HH2  ARG  29          HH21      ARG  29 -18.711 -15.523  -1.239
 1023   2HH2  ARG  29          HH22      ARG  29 -19.206 -16.853  -2.233
 1024    H    LYS  30           HN       LYS  30 -16.839 -15.897   5.139
 1025    HA   LYS  30           HA       LYS  30 -15.473 -13.303   5.331
 1026   1HB   LYS  30          HB2       LYS  30 -13.998 -15.903   5.525
 1027   2HB   LYS  30          HB1       LYS  30 -13.782 -14.415   6.447
 1028   1HG   LYS  30          HG2       LYS  30 -15.994 -16.423   6.847
 1029   2HG   LYS  30          HG1       LYS  30 -14.583 -16.201   7.884
 1030   1HD   LYS  30          HD2       LYS  30 -15.322 -13.888   8.338
 1031   2HD   LYS  30          HD1       LYS  30 -16.764 -14.180   7.365
 1032   1HE   LYS  30          HE2       LYS  30 -15.987 -15.662   9.876
 1033   2HE   LYS  30          HE1       LYS  30 -17.231 -14.420   9.752
 1034   1HZ   LYS  30          HZ1       LYS  30 -18.458 -15.846   8.239
 1035   2HZ   LYS  30          HZ2       LYS  30 -18.181 -16.640   9.707
 1036   3HZ   LYS  30          HZ3       LYS  30 -17.259 -17.036   8.345
 1037    H    GLY  31           HN       GLY  31 -16.220 -13.369   2.901
 1038   1HA   GLY  31          HA2       GLY  31 -14.195 -14.705   1.250
 1039   2HA   GLY  31          HA1       GLY  31 -15.729 -14.046   0.683
 1040    H    SER  32           HN       SER  32 -15.940 -11.690   0.640
 1041    HA   SER  32           HA       SER  32 -13.435 -10.296   0.966
 1042   1HB   SER  32          HB2       SER  32 -13.741  -9.155  -1.279
 1043   2HB   SER  32          HB1       SER  32 -13.095 -10.795  -1.266
 1044    HG   SER  32           HG       SER  32 -15.869 -10.373  -1.519
 1045    H    LEU  33           HN       LEU  33 -13.648  -8.016   0.404
 1046    HA   LEU  33           HA       LEU  33 -16.031  -6.957   1.706
 1047   1HB   LEU  33          HB2       LEU  33 -14.027  -6.246   2.717
 1048   2HB   LEU  33          HB1       LEU  33 -13.256  -6.016   1.172
 1049    HG   LEU  33           HG       LEU  33 -15.555  -4.254   1.774
 1050   1HD1  LEU  33          HD11      LEU  33 -14.698  -3.723   3.781
 1051   2HD1  LEU  33          HD12      LEU  33 -13.477  -2.866   2.849
 1052   3HD1  LEU  33          HD13      LEU  33 -13.161  -4.485   3.438
 1053   1HD2  LEU  33          HD21      LEU  33 -13.600  -4.460  -0.155
 1054   2HD2  LEU  33          HD22      LEU  33 -13.018  -3.155   0.875
 1055   3HD2  LEU  33          HD23      LEU  33 -14.612  -3.050   0.143
 1056    H    ASN  34           HN       ASN  34 -17.108  -5.008   0.596
 1057    HA   ASN  34           HA       ASN  34 -16.566  -5.137  -2.224
 1058   1HB   ASN  34          HB2       ASN  34 -18.668  -6.300  -1.310
 1059   2HB   ASN  34          HB1       ASN  34 -19.305  -4.686  -1.094
 1060   1HD2  ASN  34          HD21      ASN  34 -18.335  -7.098  -3.385
 1061   2HD2  ASN  34          HD22      ASN  34 -19.053  -6.364  -4.774
 1062    H    ILE  35           HN       ILE  35 -19.008  -3.063  -1.940
 1063    HA   ILE  35           HA       ILE  35 -17.336  -0.796  -1.247
 1064    HB   ILE  35           HB       ILE  35 -18.592   0.428  -3.195
 1065   1HG1  ILE  35          HG12      ILE  35 -18.903  -0.989  -5.149
 1066   2HG1  ILE  35          HG11      ILE  35 -18.419  -2.401  -4.226
 1067   1HG2  ILE  35          HG21      ILE  35 -16.399  -1.210  -4.263
 1068   2HG2  ILE  35          HG22      ILE  35 -16.053  -0.355  -2.763
 1069   3HG2  ILE  35          HG23      ILE  35 -16.579   0.540  -4.186
 1070   1HD1  ILE  35          HD11      ILE  35 -20.368  -2.060  -2.760
 1071   2HD1  ILE  35          HD12      ILE  35 -20.794  -2.378  -4.440
 1072   3HD1  ILE  35          HD13      ILE  35 -20.874  -0.736  -3.804
 1073    H    ASN  36           HN       ASN  36 -19.516  -2.118   0.124
 1074    HA   ASN  36           HA       ASN  36 -21.756  -0.313  -0.052
 1075   1HB   ASN  36          HB2       ASN  36 -21.120  -2.507   1.933
 1076   2HB   ASN  36          HB1       ASN  36 -22.616  -1.578   1.910
 1077   1HD2  ASN  36          HD21      ASN  36 -24.127  -1.953   0.316
 1078   2HD2  ASN  36          HD22      ASN  36 -24.067  -3.338  -0.715
 1079    H    GLU  37           HN       GLU  37 -19.570  -1.238   2.643
 1080    HA   GLU  37           HA       GLU  37 -20.052   1.353   3.798
 1081   1HB   GLU  37          HB2       GLU  37 -17.777  -0.323   4.698
 1082   2HB   GLU  37          HB1       GLU  37 -18.857   0.692   5.626
 1083   1HG   GLU  37          HG2       GLU  37 -20.677  -0.919   5.195
 1084   2HG   GLU  37          HG1       GLU  37 -19.511  -1.984   4.407
 1085    H    PHE  38           HN       PHE  38 -17.873   0.178   1.429
 1086    HA   PHE  38           HA       PHE  38 -15.703   1.870   1.698
 1087   1HB   PHE  38          HB2       PHE  38 -16.039   0.044  -0.038
 1088   2HB   PHE  38          HB1       PHE  38 -17.080   1.169  -0.899
 1089    HD1  PHE  38           HD1      PHE  38 -15.916   3.554  -1.290
 1090    HD2  PHE  38           HD2      PHE  38 -13.907  -0.155  -0.799
 1091    HE1  PHE  38           HE1      PHE  38 -13.971   4.459  -2.497
 1092    HE2  PHE  38           HE2      PHE  38 -11.950   0.737  -2.004
 1093    HZ   PHE  38           HZ       PHE  38 -11.983   3.049  -2.855
 1094    H    LYS  39           HN       LYS  39 -18.987   2.388   0.717
 1095    HA   LYS  39           HA       LYS  39 -18.781   4.830  -0.565
 1096   1HB   LYS  39          HB2       LYS  39 -21.044   3.950   1.207
 1097   2HB   LYS  39          HB1       LYS  39 -21.138   5.095  -0.125
 1098   1HG   LYS  39          HG2       LYS  39 -20.010   2.632  -1.007
 1099   2HG   LYS  39          HG1       LYS  39 -21.545   2.330  -0.195
 1100   1HD   LYS  39          HD2       LYS  39 -21.142   4.323  -2.422
 1101   2HD   LYS  39          HD1       LYS  39 -21.817   2.704  -2.615
 1102   1HE   LYS  39          HE2       LYS  39 -23.673   3.261  -1.184
 1103   2HE   LYS  39          HE1       LYS  39 -22.969   4.836  -0.823
 1104   1HZ   LYS  39          HZ1       LYS  39 -23.247   5.471  -3.119
 1105   2HZ   LYS  39          HZ2       LYS  39 -24.733   4.965  -2.489
 1106   3HZ   LYS  39          HZ3       LYS  39 -23.857   3.942  -3.513
 1107    H    GLU  40           HN       GLU  40 -18.258   4.070   2.686
 1108    HA   GLU  40           HA       GLU  40 -18.714   6.700   3.724
 1109   1HB   GLU  40          HB2       GLU  40 -17.110   4.470   4.971
 1110   2HB   GLU  40          HB1       GLU  40 -17.923   5.800   5.792
 1111   1HG   GLU  40          HG2       GLU  40 -19.464   3.801   4.190
 1112   2HG   GLU  40          HG1       GLU  40 -18.974   3.452   5.846
 1113    H    LEU  41           HN       LEU  41 -16.423   5.480   1.652
 1114    HA   LEU  41           HA       LEU  41 -14.089   6.632   2.854
 1115   1HB   LEU  41          HB2       LEU  41 -14.513   5.494   0.105
 1116   2HB   LEU  41          HB1       LEU  41 -12.969   6.019   0.734
 1117    HG   LEU  41           HG       LEU  41 -14.589   3.632   1.390
 1118   1HD1  LEU  41          HD11      LEU  41 -11.821   3.145   1.388
 1119   2HD1  LEU  41          HD12      LEU  41 -12.161   4.206   0.020
 1120   3HD1  LEU  41          HD13      LEU  41 -13.012   2.670   0.180
 1121   1HD2  LEU  41          HD21      LEU  41 -12.994   5.198   3.285
 1122   2HD2  LEU  41          HD22      LEU  41 -12.543   3.502   3.199
 1123   3HD2  LEU  41          HD23      LEU  41 -14.202   3.953   3.588
 1124    H    ALA  42           HN       ALA  42 -14.960   7.122  -0.521
 1125    HA   ALA  42           HA       ALA  42 -13.746   9.514  -0.913
 1126   1HB   ALA  42          HB1       ALA  42 -15.390   9.977  -2.664
 1127   2HB   ALA  42          HB2       ALA  42 -16.371   8.656  -2.039
 1128   3HB   ALA  42          HB3       ALA  42 -14.777   8.323  -2.703
 1129    H    THR  43           HN       THR  43 -16.818   8.953   0.577
 1130    HA   THR  43           HA       THR  43 -17.837  11.492   0.675
 1131    HB   THR  43           HB       THR  43 -18.891  10.644   2.899
 1132    HG1  THR  43           HG1      THR  43 -17.932   8.156   1.897
 1133   1HG2  THR  43          HG21      THR  43 -19.261   9.293   0.226
 1134   2HG2  THR  43          HG22      THR  43 -20.143  10.682   0.856
 1135   3HG2  THR  43          HG23      THR  43 -20.366   9.092   1.582
 1136    H    GLN  44           HN       GLN  44 -15.895   9.873   3.190
 1137    HA   GLN  44           HA       GLN  44 -15.393  12.383   4.576
 1138   1HB   GLN  44          HB2       GLN  44 -14.413   9.552   5.058
 1139   2HB   GLN  44          HB1       GLN  44 -14.080  10.921   6.122
 1140   1HG   GLN  44          HG2       GLN  44 -16.497  11.182   6.504
 1141   2HG   GLN  44          HG1       GLN  44 -16.792   9.776   5.484
 1142   1HE2  GLN  44          HE21      GLN  44 -16.218   7.730   6.232
 1143   2HE2  GLN  44          HE22      GLN  44 -15.916   7.419   7.905
 1144    H    GLN  45           HN       GLN  45 -13.395   9.999   2.795
 1145    HA   GLN  45           HA       GLN  45 -11.053  11.480   3.122
 1146   1HB   GLN  45          HB2       GLN  45 -10.427  10.242   0.862
 1147   2HB   GLN  45          HB1       GLN  45 -10.521   9.402   2.403
 1148   1HG   GLN  45          HG2       GLN  45 -12.435   8.331   1.895
 1149   2HG   GLN  45          HG1       GLN  45 -12.938   9.557   0.742
 1150   1HE2  GLN  45          HE21      GLN  45  -9.911   7.762   0.953
 1151   2HE2  GLN  45          HE22      GLN  45 -10.067   6.976  -0.578
 1152    H    LEU  46           HN       LEU  46 -13.849  12.079   1.246
 1153    HA   LEU  46           HA       LEU  46 -12.984  13.559  -0.881
 1154   1HB   LEU  46          HB2       LEU  46 -15.408  13.578   0.748
 1155   2HB   LEU  46          HB1       LEU  46 -15.014  15.158   0.116
 1156    HG   LEU  46           HG       LEU  46 -15.763  12.684  -1.414
 1157   1HD1  LEU  46          HD11      LEU  46 -17.396  14.178  -2.403
 1158   2HD1  LEU  46          HD12      LEU  46 -16.764  15.518  -1.446
 1159   3HD1  LEU  46          HD13      LEU  46 -17.543  14.153  -0.645
 1160   1HD2  LEU  46          HD21      LEU  46 -13.836  13.467  -2.591
 1161   2HD2  LEU  46          HD22      LEU  46 -14.367  15.141  -2.452
 1162   3HD2  LEU  46          HD23      LEU  46 -15.260  14.015  -3.470
 1163    HA   PRO  47           HA       PRO  47 -12.021  17.381   1.509
 1164   1HB   PRO  47          HB2       PRO  47 -12.900  17.885   3.999
 1165   2HB   PRO  47          HB1       PRO  47 -13.941  18.152   2.596
 1166   1HG   PRO  47          HG2       PRO  47 -13.880  15.870   4.532
 1167   2HG   PRO  47          HG1       PRO  47 -15.280  16.706   3.836
 1168   1HD   PRO  47          HD2       PRO  47 -14.326  14.310   2.919
 1169   2HD   PRO  47          HD1       PRO  47 -15.216  15.472   1.925
 1170    H    HIS  48           HN       HIS  48 -10.161  16.241   1.481
 1171    HA   HIS  48           HA       HIS  48  -8.932  15.499   3.997
 1172   1HB   HIS  48          HB2       HIS  48  -8.688  14.787   1.234
 1173   2HB   HIS  48          HB1       HIS  48  -7.104  15.240   1.899
 1174    HD1  HIS  48           HD1      HIS  48 -10.000  12.976   2.748
 1175    HD2  HIS  48           HD2      HIS  48  -5.927  13.299   3.438
 1176    HE1  HIS  48           HE1      HIS  48  -9.387  10.931   4.074
 1177    HE2  HIS  48           HE2      HIS  48  -6.934  11.205   4.574
 1178    H    LEU  49           HN       LEU  49  -6.335  16.078   3.479
 1179    HA   LEU  49           HA       LEU  49  -6.245  18.958   3.683
 1180   1HB   LEU  49          HB2       LEU  49  -4.783  17.450   5.079
 1181   2HB   LEU  49          HB1       LEU  49  -3.946  16.980   3.615
 1182    HG   LEU  49           HG       LEU  49  -4.047  19.797   4.698
 1183   1HD1  LEU  49          HD11      LEU  49  -2.799  18.394   6.207
 1184   2HD1  LEU  49          HD12      LEU  49  -1.683  19.405   5.288
 1185   3HD1  LEU  49          HD13      LEU  49  -1.885  17.704   4.865
 1186   1HD2  LEU  49          HD21      LEU  49  -3.700  19.937   2.378
 1187   2HD2  LEU  49          HD22      LEU  49  -2.645  18.524   2.366
 1188   3HD2  LEU  49          HD23      LEU  49  -2.089  20.034   3.089
 1189    H    LEU  50           HN       LEU  50  -4.305  16.654   1.767
 1190    HA   LEU  50           HA       LEU  50  -4.279  18.473  -0.502
 1191   1HB   LEU  50          HB2       LEU  50  -2.230  17.253   0.249
 1192   2HB   LEU  50          HB1       LEU  50  -3.006  15.749  -0.210
 1193    HG   LEU  50           HG       LEU  50  -3.020  16.406  -2.539
 1194   1HD1  LEU  50          HD11      LEU  50  -1.764  18.985  -1.611
 1195   2HD1  LEU  50          HD12      LEU  50  -3.405  18.799  -2.230
 1196   3HD1  LEU  50          HD13      LEU  50  -2.026  18.502  -3.287
 1197   1HD2  LEU  50          HD21      LEU  50  -0.999  15.339  -1.665
 1198   2HD2  LEU  50          HD22      LEU  50  -0.327  16.924  -1.284
 1199   3HD2  LEU  50          HD23      LEU  50  -0.622  16.473  -2.963
 1200    H    LYS  51           HN       LYS  51  -6.848  17.573   0.032
 1201    HA   LYS  51           HA       LYS  51  -7.879  15.301  -0.903
 1202   1HB   LYS  51          HB2       LYS  51  -9.312  16.879  -0.002
 1203   2HB   LYS  51          HB1       LYS  51  -8.854  18.125  -1.142
 1204   1HG   LYS  51          HG2       LYS  51 -10.058  16.944  -2.884
 1205   2HG   LYS  51          HG1       LYS  51 -10.495  15.657  -1.731
 1206   1HD   LYS  51          HD2       LYS  51 -11.480  17.590  -0.327
 1207   2HD   LYS  51          HD1       LYS  51 -11.376  18.542  -1.807
 1208   1HE   LYS  51          HE2       LYS  51 -12.834  17.028  -2.951
 1209   2HE   LYS  51          HE1       LYS  51 -12.814  15.904  -1.592
 1210   1HZ   LYS  51          HZ1       LYS  51 -13.932  17.570  -0.250
 1211   2HZ   LYS  51          HZ2       LYS  51 -14.840  17.219  -1.634
 1212   3HZ   LYS  51          HZ3       LYS  51 -13.944  18.651  -1.551
 1213    H    ASP  52           HN       ASP  52  -8.694  14.475  -2.790
 1214    HA   ASP  52           HA       ASP  52  -7.296  15.382  -5.214
 1215   1HB   ASP  52          HB2       ASP  52  -6.683  13.130  -4.547
 1216   2HB   ASP  52          HB1       ASP  52  -8.376  12.649  -4.489
 1217    H    VAL  53           HN       VAL  53 -10.297  15.322  -3.756
 1218    HA   VAL  53           HA       VAL  53 -12.353  15.864  -4.368
 1219    HB   VAL  53           HB       VAL  53 -11.450  17.843  -5.367
 1220   1HG1  VAL  53          HG11      VAL  53 -10.942  17.929  -7.806
 1221   2HG1  VAL  53          HG12      VAL  53 -10.968  16.167  -7.817
 1222   3HG1  VAL  53          HG13      VAL  53  -9.775  17.025  -6.842
 1223   1HG2  VAL  53          HG21      VAL  53 -13.166  18.254  -7.098
 1224   2HG2  VAL  53          HG22      VAL  53 -13.811  17.488  -5.646
 1225   3HG2  VAL  53          HG23      VAL  53 -13.533  16.529  -7.100
 1226    H    GLY  54           HN       GLY  54 -12.639  13.665  -4.311
 1227   1HA   GLY  54          HA2       GLY  54 -12.773  12.033  -6.641
 1228   2HA   GLY  54          HA1       GLY  54 -13.539  11.686  -5.102
 1229    H    SER  55           HN       SER  55 -14.042  12.501  -8.299
 1230    HA   SER  55           HA       SER  55 -16.389  14.042  -8.147
 1231   1HB   SER  55          HB2       SER  55 -14.881  13.644 -10.133
 1232   2HB   SER  55          HB1       SER  55 -15.699  12.094 -10.337
 1233    HG   SER  55           HG       SER  55 -17.219  13.143 -11.318
 1234    H    LEU  56           HN       LEU  56 -18.499  13.528  -7.994
 1235    HA   LEU  56           HA       LEU  56 -19.391  11.432  -6.532
 1236   1HB   LEU  56          HB2       LEU  56 -20.653  13.501  -7.292
 1237   2HB   LEU  56          HB1       LEU  56 -21.031  12.618  -8.757
 1238    HG   LEU  56           HG       LEU  56 -21.807  11.721  -5.981
 1239   1HD1  LEU  56          HD11      LEU  56 -24.043  12.451  -6.522
 1240   2HD1  LEU  56          HD12      LEU  56 -23.511  13.003  -8.111
 1241   3HD1  LEU  56          HD13      LEU  56 -22.928  13.811  -6.655
 1242   1HD2  LEU  56          HD21      LEU  56 -21.680   9.821  -7.373
 1243   2HD2  LEU  56          HD22      LEU  56 -22.399  10.675  -8.736
 1244   3HD2  LEU  56          HD23      LEU  56 -23.384  10.269  -7.331
 1245    H    ASP  57           HN       ASP  57 -19.561  11.522 -10.100
 1246    HA   ASP  57           HA       ASP  57 -20.587   8.975 -10.438
 1247   1HB   ASP  57          HB2       ASP  57 -18.971  10.770 -12.161
 1248   2HB   ASP  57          HB1       ASP  57 -19.164   9.083 -12.634
 1249    H    GLU  58           HN       GLU  58 -17.284  10.001 -10.401
 1250    HA   GLU  58           HA       GLU  58 -15.977   7.633 -10.944
 1251   1HB   GLU  58          HB2       GLU  58 -15.163   9.897  -9.108
 1252   2HB   GLU  58          HB1       GLU  58 -14.103   8.551  -9.514
 1253   1HG   GLU  58          HG2       GLU  58 -14.358   9.135 -11.911
 1254   2HG   GLU  58          HG1       GLU  58 -15.262  10.565 -11.423
 1255    H    LYS  59           HN       LYS  59 -17.424   8.799  -8.009
 1256    HA   LYS  59           HA       LYS  59 -16.477   6.693  -6.388
 1257   1HB   LYS  59          HB2       LYS  59 -18.669   8.706  -6.032
 1258   2HB   LYS  59          HB1       LYS  59 -18.299   7.484  -4.824
 1259   1HG   LYS  59          HG2       LYS  59 -16.649   8.725  -4.022
 1260   2HG   LYS  59          HG1       LYS  59 -15.883   8.786  -5.605
 1261   1HD   LYS  59          HD2       LYS  59 -16.222  11.018  -5.218
 1262   2HD   LYS  59          HD1       LYS  59 -17.711  10.607  -6.070
 1263   1HE   LYS  59          HE2       LYS  59 -17.576  10.451  -3.084
 1264   2HE   LYS  59          HE1       LYS  59 -17.841  11.997  -3.884
 1265   1HZ   LYS  59          HZ1       LYS  59 -19.849  10.559  -3.176
 1266   2HZ   LYS  59          HZ2       LYS  59 -19.523   9.689  -4.589
 1267   3HZ   LYS  59          HZ3       LYS  59 -19.880  11.340  -4.675
 1268    H    MET  60           HN       MET  60 -19.166   7.121  -8.487
 1269    HA   MET  60           HA       MET  60 -20.587   4.805  -7.494
 1270   1HB   MET  60          HB2       MET  60 -21.045   6.495  -9.969
 1271   2HB   MET  60          HB1       MET  60 -22.144   5.263  -9.353
 1272   1HG   MET  60          HG2       MET  60 -22.232   6.613  -7.213
 1273   2HG   MET  60          HG1       MET  60 -21.419   7.895  -8.107
 1274   1HE   MET  60          HE1       MET  60 -24.091   5.315  -9.387
 1275   2HE   MET  60          HE2       MET  60 -25.584   6.236  -9.201
 1276   3HE   MET  60          HE3       MET  60 -24.678   5.727  -7.776
 1277    H    LYS  61           HN       LYS  61 -18.304   5.524 -10.051
 1278    HA   LYS  61           HA       LYS  61 -18.780   3.058 -11.489
 1279   1HB   LYS  61          HB2       LYS  61 -16.210   4.356 -12.005
 1280   2HB   LYS  61          HB1       LYS  61 -17.477   3.886 -13.121
 1281   1HG   LYS  61          HG2       LYS  61 -17.369   6.400 -11.489
 1282   2HG   LYS  61          HG1       LYS  61 -17.089   6.257 -13.220
 1283   1HD   LYS  61          HD2       LYS  61 -19.686   5.731 -11.775
 1284   2HD   LYS  61          HD1       LYS  61 -19.328   7.080 -12.851
 1285   1HE   LYS  61          HE2       LYS  61 -19.040   5.535 -14.713
 1286   2HE   LYS  61          HE1       LYS  61 -19.354   4.171 -13.642
 1287   1HZ   LYS  61          HZ1       LYS  61 -21.581   5.034 -13.261
 1288   2HZ   LYS  61          HZ2       LYS  61 -21.318   4.761 -14.909
 1289   3HZ   LYS  61          HZ3       LYS  61 -21.277   6.337 -14.295
 1290    H    THR  62           HN       THR  62 -15.951   4.403  -9.843
 1291    HA   THR  62           HA       THR  62 -14.441   2.105  -9.705
 1292    HB   THR  62           HB       THR  62 -14.586   4.242  -7.571
 1293    HG1  THR  62           HG1      THR  62 -14.187   5.103  -9.669
 1294   1HG2  THR  62          HG21      THR  62 -12.366   2.343  -8.334
 1295   2HG2  THR  62          HG22      THR  62 -13.338   2.264  -6.864
 1296   3HG2  THR  62          HG23      THR  62 -12.249   3.626  -7.129
 1297    H    LEU  63           HN       LEU  63 -17.268   3.008  -7.956
 1298    HA   LEU  63           HA       LEU  63 -17.270   1.554  -5.677
 1299   1HB   LEU  63          HB2       LEU  63 -19.083   2.982  -6.477
 1300   2HB   LEU  63          HB1       LEU  63 -19.508   1.793  -7.686
 1301    HG   LEU  63           HG       LEU  63 -19.532   0.942  -4.848
 1302   1HD1  LEU  63          HD11      LEU  63 -20.617   3.123  -4.759
 1303   2HD1  LEU  63          HD12      LEU  63 -21.786   1.822  -4.528
 1304   3HD1  LEU  63          HD13      LEU  63 -21.683   2.649  -6.082
 1305   1HD2  LEU  63          HD21      LEU  63 -21.432  -0.380  -5.623
 1306   2HD2  LEU  63          HD22      LEU  63 -20.031  -0.638  -6.659
 1307   3HD2  LEU  63          HD23      LEU  63 -21.343   0.406  -7.197
 1308    H    ASP  64           HN       ASP  64 -18.745   0.228  -8.644
 1309    HA   ASP  64           HA       ASP  64 -18.746  -2.425  -7.736
 1310   1HB   ASP  64          HB2       ASP  64 -20.196  -1.702  -9.547
 1311   2HB   ASP  64          HB1       ASP  64 -18.801  -1.347 -10.562
 1312    H    VAL  65           HN       VAL  65 -16.197  -0.500  -8.983
 1313    HA   VAL  65           HA       VAL  65 -14.591  -2.679  -9.963
 1314    HB   VAL  65           HB       VAL  65 -13.812   0.179  -9.371
 1315   1HG1  VAL  65          HG11      VAL  65 -11.900  -0.259 -10.839
 1316   2HG1  VAL  65          HG12      VAL  65 -12.396  -1.945 -10.978
 1317   3HG1  VAL  65          HG13      VAL  65 -11.882  -1.303  -9.418
 1318   1HG2  VAL  65          HG21      VAL  65 -14.036   0.518 -11.791
 1319   2HG2  VAL  65          HG22      VAL  65 -15.567   0.056 -11.046
 1320   3HG2  VAL  65          HG23      VAL  65 -14.636  -1.132 -11.959
 1321    H    ASN  66           HN       ASN  66 -14.027  -0.322  -7.352
 1322    HA   ASN  66           HA       ASN  66 -12.051  -1.997  -6.118
 1323   1HB   ASN  66          HB2       ASN  66 -13.295   0.624  -5.276
 1324   2HB   ASN  66          HB1       ASN  66 -11.988  -0.182  -4.405
 1325   1HD2  ASN  66          HD21      ASN  66 -10.551   1.487  -4.717
 1326   2HD2  ASN  66          HD22      ASN  66  -9.839   1.831  -6.253
 1327    H    GLN  67           HN       GLN  67 -14.722  -3.266  -6.098
 1328    HA   GLN  67           HA       GLN  67 -15.788  -2.877  -3.501
 1329   1HB   GLN  67          HB2       GLN  67 -16.645  -5.350  -3.963
 1330   2HB   GLN  67          HB1       GLN  67 -17.432  -3.933  -4.595
 1331   1HG   GLN  67          HG2       GLN  67 -17.377  -5.551  -6.198
 1332   2HG   GLN  67          HG1       GLN  67 -16.224  -4.324  -6.724
 1333   1HE2  GLN  67          HE21      GLN  67 -14.159  -4.982  -7.162
 1334   2HE2  GLN  67          HE22      GLN  67 -13.544  -6.578  -6.870
 1335    H    ASP  68           HN       ASP  68 -13.616  -5.220  -4.867
 1336    HA   ASP  68           HA       ASP  68 -13.356  -6.611  -2.386
 1337   1HB   ASP  68          HB2       ASP  68 -12.317  -7.005  -5.153
 1338   2HB   ASP  68          HB1       ASP  68 -11.605  -7.883  -3.802
 1339    H    SER  69           HN       SER  69 -12.334  -3.694  -3.050
 1340    HA   SER  69           HA       SER  69  -9.646  -3.426  -3.008
 1341   1HB   SER  69          HB2       SER  69 -10.678  -1.367  -2.760
 1342   2HB   SER  69          HB1       SER  69 -11.851  -1.981  -1.597
 1343    HG   SER  69           HG       SER  69 -10.457  -0.682  -0.480
 1344    H    GLU  70           HN       GLU  70 -11.707  -4.617  -0.502
 1345    HA   GLU  70           HA       GLU  70  -9.381  -5.483   1.081
 1346   1HB   GLU  70          HB2       GLU  70 -10.648  -4.472   2.717
 1347   2HB   GLU  70          HB1       GLU  70 -12.117  -4.686   1.807
 1348   1HG   GLU  70          HG2       GLU  70 -12.272  -6.028   3.813
 1349   2HG   GLU  70          HG1       GLU  70 -12.135  -7.101   2.430
 1350    H    LEU  71           HN       LEU  71  -9.384  -7.710   1.651
 1351    HA   LEU  71           HA       LEU  71 -11.475  -9.268   0.412
 1352   1HB   LEU  71          HB2       LEU  71 -10.041  -9.047  -1.292
 1353   2HB   LEU  71          HB1       LEU  71  -8.633  -9.009  -0.277
 1354    HG   LEU  71           HG       LEU  71  -8.812 -10.921  -1.659
 1355   1HD1  LEU  71          HD11      LEU  71  -8.986 -12.446   0.678
 1356   2HD1  LEU  71          HD12      LEU  71  -8.149 -10.941   1.029
 1357   3HD1  LEU  71          HD13      LEU  71  -7.559 -12.006  -0.243
 1358   1HD2  LEU  71          HD21      LEU  71 -10.503 -12.603  -0.940
 1359   2HD2  LEU  71          HD22      LEU  71 -10.980 -11.301  -1.981
 1360   3HD2  LEU  71          HD23      LEU  71 -11.338 -11.228  -0.290
 1361    H    ARG  72           HN       ARG  72 -11.850 -11.298   1.278
 1362    HA   ARG  72           HA       ARG  72 -10.299 -12.065   3.631
 1363   1HB   ARG  72          HB2       ARG  72 -12.874 -13.334   2.857
 1364   2HB   ARG  72          HB1       ARG  72 -12.200 -13.124   4.457
 1365   1HG   ARG  72          HG2       ARG  72 -13.538 -11.064   2.730
 1366   2HG   ARG  72          HG1       ARG  72 -14.094 -11.704   4.277
 1367   1HD   ARG  72          HD2       ARG  72 -11.798  -9.843   3.727
 1368   2HD   ARG  72          HD1       ARG  72 -13.209  -9.583   4.747
 1369    HE   ARG  72           HE       ARG  72 -11.468 -11.737   5.579
 1370   1HH1  ARG  72          HH11      ARG  72 -12.275  -8.357   5.896
 1371   2HH1  ARG  72          HH12      ARG  72 -11.537  -8.200   7.454
 1372   1HH2  ARG  72          HH21      ARG  72 -10.494 -11.530   7.625
 1373   2HH2  ARG  72          HH22      ARG  72 -10.525  -9.999   8.435
 1374    H    PHE  73           HN       PHE  73 -11.509 -13.152   0.474
 1375    HA   PHE  73           HA       PHE  73 -10.001 -15.585   0.720
 1376   1HB   PHE  73          HB2       PHE  73 -10.988 -15.932  -1.718
 1377   2HB   PHE  73          HB1       PHE  73 -11.847 -16.285  -0.247
 1378    HD1  PHE  73           HD1      PHE  73 -11.523 -13.122  -2.267
 1379    HD2  PHE  73           HD2      PHE  73 -14.056 -16.025  -0.532
 1380    HE1  PHE  73           HE1      PHE  73 -13.426 -11.836  -2.989
 1381    HE2  PHE  73           HE2      PHE  73 -16.003 -14.763  -1.304
 1382    HZ   PHE  73           HZ       PHE  73 -15.702 -12.668  -2.547
 1383    H    SER  74           HN       SER  74 -10.148 -14.377  -2.542
 1384    HA   SER  74           HA       SER  74  -7.206 -14.130  -2.398
 1385   1HB   SER  74          HB2       SER  74  -7.401 -14.721  -4.957
 1386   2HB   SER  74          HB1       SER  74  -7.348 -15.980  -3.724
 1387    HG   SER  74           HG       SER  74  -9.062 -16.253  -5.261
 1388    H    GLU  75           HN       GLU  75  -9.843 -12.318  -3.066
 1389    HA   GLU  75           HA       GLU  75  -8.876 -10.697  -5.190
 1390   1HB   GLU  75          HB2       GLU  75 -10.784  -9.830  -3.048
 1391   2HB   GLU  75          HB1       GLU  75 -10.701  -9.261  -4.711
 1392   1HG   GLU  75          HG2       GLU  75 -11.591 -11.965  -3.775
 1393   2HG   GLU  75          HG1       GLU  75 -12.618 -10.668  -4.366
 1394    H    TYR  76           HN       TYR  76  -7.130 -10.985  -2.573
 1395    HA   TYR  76           HA       TYR  76  -7.087  -8.526  -1.315
 1396   1HB   TYR  76          HB2       TYR  76  -5.435 -10.920  -1.304
 1397   2HB   TYR  76          HB1       TYR  76  -4.512  -9.456  -0.991
 1398    HD1  TYR  76           HD1      TYR  76  -6.992  -8.107   0.438
 1399    HD2  TYR  76           HD2      TYR  76  -4.985 -11.829   0.855
 1400    HE1  TYR  76           HE1      TYR  76  -7.798  -8.251   2.707
 1401    HE2  TYR  76           HE2      TYR  76  -5.790 -11.986   3.171
 1402    HH   TYR  76           HH       TYR  76  -8.200  -9.951   4.433
 1403    H    TRP  77           HN       TRP  77  -5.712  -9.610  -4.248
 1404    HA   TRP  77           HA       TRP  77  -3.720  -7.676  -4.709
 1405   1HB   TRP  77          HB2       TRP  77  -4.161  -8.050  -7.097
 1406   2HB   TRP  77          HB1       TRP  77  -4.202  -9.588  -6.238
 1407    HD1  TRP  77           HD1      TRP  77  -6.798  -6.890  -7.263
 1408    HE1  TRP  77           HE1      TRP  77  -8.917  -8.099  -8.028
 1409    HE3  TRP  77           HE3      TRP  77  -5.339 -11.712  -6.441
 1410    HZ2  TRP  77           HZ2      TRP  77  -9.881 -10.754  -8.238
 1411    HZ3  TRP  77           HZ3      TRP  77  -6.918 -13.528  -6.921
 1412    HH2  TRP  77           HH2      TRP  77  -9.142 -13.060  -7.802
 1413    H    ARG  78           HN       ARG  78  -7.152  -7.351  -4.421
 1414    HA   ARG  78           HA       ARG  78  -7.419  -4.988  -5.862
 1415   1HB   ARG  78          HB2       ARG  78  -9.066  -6.312  -3.746
 1416   2HB   ARG  78          HB1       ARG  78  -9.545  -4.759  -4.430
 1417   1HG   ARG  78          HG2       ARG  78  -8.949  -7.153  -6.127
 1418   2HG   ARG  78          HG1       ARG  78 -10.538  -6.842  -5.461
 1419   1HD   ARG  78          HD2       ARG  78 -10.628  -4.699  -6.596
 1420   2HD   ARG  78          HD1       ARG  78  -8.998  -4.952  -7.222
 1421    HE   ARG  78           HE       ARG  78 -10.809  -7.044  -7.954
 1422   1HH1  ARG  78          HH11      ARG  78  -9.700  -3.846  -8.767
 1423   2HH1  ARG  78          HH12      ARG  78 -10.147  -3.975 -10.435
 1424   1HH2  ARG  78          HH21      ARG  78 -11.401  -7.226 -10.148
 1425   2HH2  ARG  78          HH22      ARG  78 -11.115  -5.896 -11.220
 1426    H    LEU  79           HN       LEU  79  -6.287  -5.693  -2.641
 1427    HA   LEU  79           HA       LEU  79  -6.502  -3.004  -1.666
 1428   1HB   LEU  79          HB2       LEU  79  -4.348  -4.630  -0.542
 1429   2HB   LEU  79          HB1       LEU  79  -5.609  -3.759   0.285
 1430    HG   LEU  79           HG       LEU  79  -6.606  -6.225  -0.948
 1431   1HD1  LEU  79          HD11      LEU  79  -4.986  -7.641  -0.393
 1432   2HD1  LEU  79          HD12      LEU  79  -5.139  -7.147   1.287
 1433   3HD1  LEU  79          HD13      LEU  79  -4.005  -6.327   0.226
 1434   1HD2  LEU  79          HD21      LEU  79  -7.694  -6.443   1.100
 1435   2HD2  LEU  79          HD22      LEU  79  -7.541  -4.697   0.943
 1436   3HD2  LEU  79          HD23      LEU  79  -6.429  -5.585   1.975
 1437    H    ILE  80           HN       ILE  80  -4.407  -4.739  -3.725
 1438    HA   ILE  80           HA       ILE  80  -1.959  -3.656  -3.418
 1439    HB   ILE  80           HB       ILE  80  -2.932  -5.351  -5.190
 1440   1HG1  ILE  80          HG12      ILE  80  -0.598  -3.489  -5.737
 1441   2HG1  ILE  80          HG11      ILE  80  -0.561  -4.963  -4.774
 1442   1HG2  ILE  80          HG21      ILE  80  -3.014  -4.428  -7.456
 1443   2HG2  ILE  80          HG22      ILE  80  -2.821  -2.796  -6.818
 1444   3HG2  ILE  80          HG23      ILE  80  -4.271  -3.723  -6.445
 1445   1HD1  ILE  80          HD11      ILE  80  -1.112  -4.799  -7.727
 1446   2HD1  ILE  80          HD12      ILE  80  -1.071  -6.275  -6.763
 1447   3HD1  ILE  80          HD13      ILE  80   0.395  -5.318  -6.973
 1448    H    GLY  81           HN       GLY  81  -4.550  -2.166  -5.398
 1449   1HA   GLY  81          HA2       GLY  81  -3.000   0.266  -5.688
 1450   2HA   GLY  81          HA1       GLY  81  -4.595  -0.042  -6.354
 1451    H    GLU  82           HN       GLU  82  -4.826  -0.905  -3.179
 1452    HA   GLU  82           HA       GLU  82  -6.287   1.489  -2.538
 1453   1HB   GLU  82          HB2       GLU  82  -5.722  -0.990  -0.989
 1454   2HB   GLU  82          HB1       GLU  82  -6.820   0.270  -0.471
 1455   1HG   GLU  82          HG2       GLU  82  -7.124  -1.343  -2.977
 1456   2HG   GLU  82          HG1       GLU  82  -7.978  -1.655  -1.471
 1457    H    LEU  83           HN       LEU  83  -3.766  -0.332  -0.813
 1458    HA   LEU  83           HA       LEU  83  -3.173   1.526   1.124
 1459   1HB   LEU  83          HB2       LEU  83  -1.522  -0.540  -0.269
 1460   2HB   LEU  83          HB1       LEU  83  -0.760   0.566   0.857
 1461    HG   LEU  83           HG       LEU  83  -3.150  -1.039   1.688
 1462   1HD1  LEU  83          HD11      LEU  83  -1.655  -2.773   2.515
 1463   2HD1  LEU  83          HD12      LEU  83  -0.269  -1.934   1.822
 1464   3HD1  LEU  83          HD13      LEU  83  -1.504  -2.616   0.765
 1465   1HD2  LEU  83          HD21      LEU  83  -1.865  -0.829   3.890
 1466   2HD2  LEU  83          HD22      LEU  83  -2.628   0.625   3.249
 1467   3HD2  LEU  83          HD23      LEU  83  -0.891   0.385   3.062
 1468    H    ALA  84           HN       ALA  84  -2.435   1.501  -2.243
 1469    HA   ALA  84           HA       ALA  84  -0.452   3.553  -2.051
 1470   1HB   ALA  84          HB1       ALA  84  -1.031   3.664  -4.618
 1471   2HB   ALA  84          HB2       ALA  84  -1.811   2.125  -4.258
 1472   3HB   ALA  84          HB3       ALA  84  -0.089   2.339  -3.938
 1473    H    LYS  85           HN       LYS  85  -3.925   3.496  -2.628
 1474    HA   LYS  85           HA       LYS  85  -4.427   5.982  -3.655
 1475   1HB   LYS  85          HB2       LYS  85  -6.589   5.867  -2.715
 1476   2HB   LYS  85          HB1       LYS  85  -6.111   4.190  -2.940
 1477   1HG   LYS  85          HG2       LYS  85  -5.241   4.571  -0.429
 1478   2HG   LYS  85          HG1       LYS  85  -6.576   5.717  -0.464
 1479   1HD   LYS  85          HD2       LYS  85  -6.720   2.769  -1.083
 1480   2HD   LYS  85          HD1       LYS  85  -7.373   3.583   0.339
 1481   1HE   LYS  85          HE2       LYS  85  -8.687   4.989  -1.402
 1482   2HE   LYS  85          HE1       LYS  85  -8.306   3.657  -2.492
 1483   1HZ   LYS  85          HZ1       LYS  85  -9.341   2.140  -0.878
 1484   2HZ   LYS  85          HZ2       LYS  85 -10.435   3.283  -1.477
 1485   3HZ   LYS  85          HZ3       LYS  85  -9.785   3.466   0.074
 1486    H    GLU  86           HN       GLU  86  -3.253   5.186  -0.553
 1487    HA   GLU  86           HA       GLU  86  -3.622   7.808   0.555
 1488   1HB   GLU  86          HB2       GLU  86  -1.841   5.674   1.673
 1489   2HB   GLU  86          HB1       GLU  86  -2.724   6.923   2.536
 1490   1HG   GLU  86          HG2       GLU  86  -3.994   4.616   1.096
 1491   2HG   GLU  86          HG1       GLU  86  -3.664   4.669   2.813
 1492    H    VAL  87           HN       VAL  87  -1.036   5.828  -0.735
 1493    HA   VAL  87           HA       VAL  87   0.993   7.788  -0.277
 1494    HB   VAL  87           HB       VAL  87   1.001   5.157  -1.740
 1495   1HG1  VAL  87          HG11      VAL  87   3.268   7.110  -1.404
 1496   2HG1  VAL  87          HG12      VAL  87   2.565   6.546  -2.917
 1497   3HG1  VAL  87          HG13      VAL  87   3.459   5.429  -1.894
 1498   1HG2  VAL  87          HG21      VAL  87   0.905   4.952   0.644
 1499   2HG2  VAL  87          HG22      VAL  87   2.206   6.125   0.843
 1500   3HG2  VAL  87          HG23      VAL  87   2.540   4.553   0.118
 1501    H    ARG  88           HN       ARG  88  -1.416   7.496  -2.607
 1502    HA   ARG  88           HA       ARG  88   0.014   8.278  -4.932
 1503   1HB   ARG  88          HB2       ARG  88  -2.273   7.137  -4.761
 1504   2HB   ARG  88          HB1       ARG  88  -2.921   8.745  -4.454
 1505   1HG   ARG  88          HG2       ARG  88  -1.330   8.017  -6.904
 1506   2HG   ARG  88          HG1       ARG  88  -3.092   7.988  -6.821
 1507   1HD   ARG  88          HD2       ARG  88  -3.001  10.406  -6.150
 1508   2HD   ARG  88          HD1       ARG  88  -1.275  10.369  -6.508
 1509    HE   ARG  88           HE       ARG  88  -2.778   9.425  -8.715
 1510   1HH1  ARG  88          HH11      ARG  88  -1.889  12.338  -7.025
 1511   2HH1  ARG  88          HH12      ARG  88  -2.042  13.350  -8.422
 1512   1HH2  ARG  88          HH21      ARG  88  -2.982  10.750 -10.563
 1513   2HH2  ARG  88          HH22      ARG  88  -2.664  12.448 -10.433
 1514    H    LYS  89           HN       LYS  89  -2.105  10.154  -2.749
 1515    HA   LYS  89           HA       LYS  89  -1.354  12.614  -4.077
 1516   1HB   LYS  89          HB2       LYS  89  -2.661  13.690  -2.239
 1517   2HB   LYS  89          HB1       LYS  89  -3.570  12.562  -3.214
 1518   1HG   LYS  89          HG2       LYS  89  -2.282  11.551  -0.696
 1519   2HG   LYS  89          HG1       LYS  89  -3.711  12.601  -0.581
 1520   1HD   LYS  89          HD2       LYS  89  -3.561   9.793  -1.145
 1521   2HD   LYS  89          HD1       LYS  89  -4.964  10.789  -0.789
 1522   1HE   LYS  89          HE2       LYS  89  -3.758  10.457  -3.545
 1523   2HE   LYS  89          HE1       LYS  89  -5.109   9.516  -2.932
 1524   1HZ   LYS  89          HZ1       LYS  89  -5.155  12.016  -4.165
 1525   2HZ   LYS  89          HZ2       LYS  89  -5.681  12.233  -2.572
 1526   3HZ   LYS  89          HZ3       LYS  89  -6.461  11.116  -3.578
 1527    H    GLU  90           HN       GLU  90  -0.594  10.829  -1.222
 1528    HA   GLU  90           HA       GLU  90   0.790  12.743   0.228
 1529   1HB   GLU  90          HB2       GLU  90   0.870   9.766   0.033
 1530   2HB   GLU  90          HB1       GLU  90   1.995  10.614   1.099
 1531   1HG   GLU  90          HG2       GLU  90  -1.003  10.916   1.162
 1532   2HG   GLU  90          HG1       GLU  90  -0.080   9.813   2.204
 1533    H    LYS  91           HN       LYS  91   1.588  11.168  -2.717
 1534    HA   LYS  91           HA       LYS  91   4.349  11.196  -2.684
 1535   1HB   LYS  91          HB2       LYS  91   4.281  11.113  -5.031
 1536   2HB   LYS  91          HB1       LYS  91   2.830  10.288  -4.495
 1537   1HG   LYS  91          HG2       LYS  91   1.549  12.367  -4.923
 1538   2HG   LYS  91          HG1       LYS  91   3.019  13.091  -5.575
 1539   1HD   LYS  91          HD2       LYS  91   3.129  11.370  -7.294
 1540   2HD   LYS  91          HD1       LYS  91   1.693  10.591  -6.625
 1541   1HE   LYS  91          HE2       LYS  91   0.374  12.586  -7.119
 1542   2HE   LYS  91          HE1       LYS  91   1.809  13.384  -7.764
 1543   1HZ   LYS  91          HZ1       LYS  91   0.430  12.466  -9.524
 1544   2HZ   LYS  91          HZ2       LYS  91   0.567  10.917  -8.860
 1545   3HZ   LYS  91          HZ3       LYS  91   1.934  11.693  -9.483
 1546    H    ALA  92           HN       ALA  92   2.088  13.734  -3.614
 1547    HA   ALA  92           HA       ALA  92   4.199  15.682  -3.944
 1548   1HB   ALA  92          HB1       ALA  92   2.417  17.240  -4.498
 1549   2HB   ALA  92          HB2       ALA  92   1.208  16.065  -3.977
 1550   3HB   ALA  92          HB3       ALA  92   2.217  15.727  -5.383
 1551    H    LEU  93           HN       LEU  93   2.121  14.686  -1.344
 1552    HA   LEU  93           HA       LEU  93   2.485  17.161   0.102
 1553   1HB   LEU  93          HB2       LEU  93   0.446  15.752   0.371
 1554   2HB   LEU  93          HB1       LEU  93   1.443  14.543   1.163
 1555    HG   LEU  93           HG       LEU  93   1.606  17.278   2.269
 1556   1HD1  LEU  93          HD11      LEU  93  -0.839  15.547   2.637
 1557   2HD1  LEU  93          HD12      LEU  93  -0.784  17.112   1.827
 1558   3HD1  LEU  93          HD13      LEU  93  -0.460  17.004   3.557
 1559   1HD2  LEU  93          HD21      LEU  93   2.852  15.420   3.234
 1560   2HD2  LEU  93          HD22      LEU  93   1.352  14.532   3.495
 1561   3HD2  LEU  93          HD23      LEU  93   1.653  16.031   4.373
 1562    H    GLY  94           HN       GLY  94   3.967  14.007  -0.033
 1563   1HA   GLY  94          HA2       GLY  94   5.340  13.706   2.273
 1564   2HA   GLY  94          HA1       GLY  94   6.062  13.366   0.704
 1565    H    ILE  95           HN       ILE  95   6.147  15.997  -0.273
 1566    HA   ILE  95           HA       ILE  95   8.602  16.827   0.772
 1567    HB   ILE  95           HB       ILE  95   8.230  18.895  -0.605
 1568   1HG1  ILE  95          HG12      ILE  95   5.872  17.443  -1.727
 1569   2HG1  ILE  95          HG11      ILE  95   5.662  18.597  -0.416
 1570   1HG2  ILE  95          HG21      ILE  95   9.426  16.963  -1.407
 1571   2HG2  ILE  95          HG22      ILE  95   8.495  17.717  -2.703
 1572   3HG2  ILE  95          HG23      ILE  95   7.907  16.244  -1.936
 1573   1HD1  ILE  95          HD11      ILE  95   6.832  19.176  -3.128
 1574   2HD1  ILE  95          HD12      ILE  95   6.655  20.341  -1.815
 1575   3HD1  ILE  95          HD13      ILE  95   5.224  19.630  -2.562
 1576    H    ARG  96           HN       ARG  96   7.821  16.833   3.044
 1577    HA   ARG  96           HA       ARG  96   6.230  18.963   4.004
 1578   1HB   ARG  96          HB2       ARG  96   7.072  18.392   6.194
 1579   2HB   ARG  96          HB1       ARG  96   6.762  16.906   5.308
 1580   1HG   ARG  96          HG2       ARG  96   8.787  16.378   6.151
 1581   2HG   ARG  96          HG1       ARG  96   9.329  17.207   4.690
 1582   1HD   ARG  96          HD2       ARG  96   9.446  19.313   6.053
 1583   2HD   ARG  96          HD1       ARG  96   9.146  18.324   7.480
 1584    HE   ARG  96           HE       ARG  96  11.342  17.336   5.963
 1585   1HH1  ARG  96          HH11      ARG  96  10.406  19.797   8.242
 1586   2HH1  ARG  96          HH12      ARG  96  12.002  19.992   8.885
 1587   1HH2  ARG  96          HH21      ARG  96  13.448  17.584   6.801
 1588   2HH2  ARG  96          HH22      ARG  96  13.732  18.734   8.065
 1589    H    LYS  97           HN       LYS  97   9.403  18.750   2.761
 1590    HA   LYS  97           HA       LYS  97  10.343  21.175   4.001
 1591   1HB   LYS  97          HB2       LYS  97  11.711  19.896   1.675
 1592   2HB   LYS  97          HB1       LYS  97  12.415  20.706   3.065
 1593   1HG   LYS  97          HG2       LYS  97  12.032  18.793   4.461
 1594   2HG   LYS  97          HG1       LYS  97  11.079  18.010   3.200
 1595   1HD   LYS  97          HD2       LYS  97  13.902  18.808   2.667
 1596   2HD   LYS  97          HD1       LYS  97  13.551  17.327   3.554
 1597   1HE   LYS  97          HE2       LYS  97  13.653  16.572   1.367
 1598   2HE   LYS  97          HE1       LYS  97  11.914  16.840   1.590
 1599   1HZ   LYS  97          HZ1       LYS  97  11.929  18.637   0.220
 1600   2HZ   LYS  97          HZ2       LYS  97  13.198  17.774  -0.491
 1601   3HZ   LYS  97          HZ3       LYS  97  13.532  19.057   0.558
 1602    H    LYS  98           HN       LYS  98   8.661  22.556   3.239
 1603    HA   LYS  98           HA       LYS  98   8.787  23.138   0.357
 1604   1HB   LYS  98          HB2       LYS  98   6.583  23.996   2.224
 1605   2HB   LYS  98          HB1       LYS  98   6.558  23.948   0.467
 1606   1HG   LYS  98          HG2       LYS  98   6.759  21.442   0.635
 1607   2HG   LYS  98          HG1       LYS  98   6.504  21.621   2.372
 1608   1HD   LYS  98          HD2       LYS  98   4.335  22.551   2.037
 1609   2HD   LYS  98          HD1       LYS  98   4.601  22.692   0.298
 1610   1HE   LYS  98          HE2       LYS  98   3.197  20.793   0.686
 1611   2HE   LYS  98          HE1       LYS  98   4.788  20.213   0.192
 1612   1HZ   LYS  98          HZ1       LYS  98   5.314  19.756   2.491
 1613   2HZ   LYS  98          HZ2       LYS  98   3.890  18.952   2.060
 1614   3HZ   LYS  98          HZ3       LYS  98   3.816  20.360   2.995
  Start of MODEL   13
    1   1H    MET   1          HT1       MET   1 -18.223   3.319  -2.079
    2   2H    MET   1          HT2       MET   1 -18.786   3.336  -3.673
    3   3H    MET   1          HT3       MET   1 -19.613   4.198  -2.479
    4    HA   MET   1           HA       MET   1 -18.413   5.782  -3.693
    5   1HB   MET   1          HB2       MET   1 -17.459   5.103  -0.988
    6   2HB   MET   1          HB1       MET   1 -16.374   6.099  -1.914
    7   1HG   MET   1          HG2       MET   1 -18.036   7.290  -0.413
    8   2HG   MET   1          HG1       MET   1 -17.874   7.862  -2.071
    9   1HE   MET   1          HE1       MET   1 -19.982   8.839  -3.002
   10   2HE   MET   1          HE2       MET   1 -20.176   9.175  -1.282
   11   3HE   MET   1          HE3       MET   1 -21.541   8.573  -2.221
   12    H    ALA   2           HN       ALA   2 -16.118   6.642  -4.005
   13    HA   ALA   2           HA       ALA   2 -14.459   4.514  -5.089
   14   1HB   ALA   2          HB1       ALA   2 -13.572   6.169  -6.719
   15   2HB   ALA   2          HB2       ALA   2 -14.797   7.298  -6.152
   16   3HB   ALA   2          HB3       ALA   2 -15.280   5.798  -6.930
   17    H    ALA   3           HN       ALA   3 -12.108   4.963  -5.125
   18    HA   ALA   3           HA       ALA   3 -11.282   5.912  -2.576
   19   1HB   ALA   3          HB1       ALA   3 -10.071   4.135  -3.738
   20   2HB   ALA   3          HB2       ALA   3  -9.012   5.493  -3.359
   21   3HB   ALA   3          HB3       ALA   3  -9.612   5.275  -5.002
   22    H    GLU   4           HN       GLU   4 -11.887   8.011  -2.336
   23    HA   GLU   4           HA       GLU   4 -11.395  10.012  -4.275
   24   1HB   GLU   4          HB2       GLU   4 -13.166  10.324  -2.678
   25   2HB   GLU   4          HB1       GLU   4 -12.051  10.142  -1.331
   26   1HG   GLU   4          HG2       GLU   4 -12.947  12.509  -2.346
   27   2HG   GLU   4          HG1       GLU   4 -11.524  12.303  -1.330
   28    H    THR   5           HN       THR   5 -10.114  10.963  -1.190
   29    HA   THR   5           HA       THR   5  -7.567  11.348  -2.479
   30    HB   THR   5           HB       THR   5  -8.542  12.123   0.265
   31    HG1  THR   5           HG1      THR   5  -9.494  13.490  -1.087
   32   1HG2  THR   5          HG21      THR   5  -6.006  11.736  -0.015
   33   2HG2  THR   5          HG22      THR   5  -6.542  13.281   0.636
   34   3HG2  THR   5          HG23      THR   5  -6.051  13.163  -1.051
   35    H    LEU   6           HN       LEU   6  -7.675  10.556   0.939
   36    HA   LEU   6           HA       LEU   6  -5.828   8.340   0.381
   37   1HB   LEU   6          HB2       LEU   6  -6.234   9.858   2.959
   38   2HB   LEU   6          HB1       LEU   6  -4.990   8.690   2.625
   39    HG   LEU   6           HG       LEU   6  -4.615  10.611   0.669
   40   1HD1  LEU   6          HD11      LEU   6  -4.663  12.727   1.709
   41   2HD1  LEU   6          HD12      LEU   6  -4.973  12.025   3.296
   42   3HD1  LEU   6          HD13      LEU   6  -6.228  11.997   2.061
   43   1HD2  LEU   6          HD21      LEU   6  -2.651  11.216   2.058
   44   2HD2  LEU   6          HD22      LEU   6  -2.824   9.488   1.765
   45   3HD2  LEU   6          HD23      LEU   6  -3.281  10.171   3.327
   46    H    THR   7           HN       THR   7  -7.026   6.510   0.297
   47    HA   THR   7           HA       THR   7  -9.371   6.083   1.717
   48    HB   THR   7           HB       THR   7  -8.353   3.539   1.516
   49    HG1  THR   7           HG1      THR   7  -7.437   4.877  -0.809
   50   1HG2  THR   7          HG21      THR   7  -9.769   3.266  -0.344
   51   2HG2  THR   7          HG22      THR   7  -9.608   4.956  -0.815
   52   3HG2  THR   7          HG23      THR   7 -10.512   4.526   0.634
   53    H    GLU   8           HN       GLU   8  -9.706   4.487   3.468
   54    HA   GLU   8           HA       GLU   8  -8.572   5.161   5.836
   55   1HB   GLU   8          HB2       GLU   8  -9.276   2.295   5.301
   56   2HB   GLU   8          HB1       GLU   8  -9.407   3.194   6.803
   57   1HG   GLU   8          HG2       GLU   8 -11.120   3.481   4.357
   58   2HG   GLU   8          HG1       GLU   8 -11.591   2.848   5.935
   59    H    LEU   9           HN       LEU   9  -7.111   3.199   3.394
   60    HA   LEU   9           HA       LEU   9  -5.299   1.777   4.968
   61   1HB   LEU   9          HB2       LEU   9  -4.611   2.602   2.214
   62   2HB   LEU   9          HB1       LEU   9  -4.389   1.050   2.979
   63    HG   LEU   9           HG       LEU   9  -6.761   2.183   1.567
   64   1HD1  LEU   9          HD11      LEU   9  -6.797  -0.310   0.869
   65   2HD1  LEU   9          HD12      LEU   9  -5.147  -0.314   1.491
   66   3HD1  LEU   9          HD13      LEU   9  -5.599   0.784   0.192
   67   1HD2  LEU   9          HD21      LEU   9  -8.315   1.293   2.858
   68   2HD2  LEU   9          HD22      LEU   9  -7.088   0.983   4.078
   69   3HD2  LEU   9          HD23      LEU   9  -7.475  -0.248   2.895
   70    H    GLU  10           HN       GLU  10  -5.291   5.087   3.893
   71    HA   GLU  10           HA       GLU  10  -2.555   5.663   3.969
   72   1HB   GLU  10          HB2       GLU  10  -3.323   7.966   4.742
   73   2HB   GLU  10          HB1       GLU  10  -3.956   7.371   3.215
   74   1HG   GLU  10          HG2       GLU  10  -6.011   7.651   3.915
   75   2HG   GLU  10          HG1       GLU  10  -5.719   6.573   5.278
   76    H    ALA  11           HN       ALA  11  -4.858   5.036   6.513
   77    HA   ALA  11           HA       ALA  11  -3.335   5.965   8.703
   78   1HB   ALA  11          HB1       ALA  11  -5.806   5.114   8.601
   79   2HB   ALA  11          HB2       ALA  11  -4.859   4.868  10.066
   80   3HB   ALA  11          HB3       ALA  11  -5.081   3.542   8.925
   81    H    ALA  12           HN       ALA  12  -3.304   3.081   6.765
   82    HA   ALA  12           HA       ALA  12  -1.532   1.595   8.427
   83   1HB   ALA  12          HB1       ALA  12  -1.329   0.082   6.533
   84   2HB   ALA  12          HB2       ALA  12  -2.110   1.264   5.483
   85   3HB   ALA  12          HB3       ALA  12  -3.018   0.515   6.796
   86    H    ILE  13           HN       ILE  13  -1.171   4.053   5.986
   87    HA   ILE  13           HA       ILE  13   1.475   3.578   5.274
   88    HB   ILE  13           HB       ILE  13  -0.187   6.058   5.230
   89   1HG1  ILE  13          HG12      ILE  13  -0.027   5.835   2.868
   90   2HG1  ILE  13          HG11      ILE  13   1.310   4.700   2.999
   91   1HG2  ILE  13          HG21      ILE  13   1.652   7.282   4.138
   92   2HG2  ILE  13          HG22      ILE  13   2.744   5.959   4.547
   93   3HG2  ILE  13          HG23      ILE  13   1.994   6.911   5.828
   94   1HD1  ILE  13          HD11      ILE  13  -1.453   4.091   3.990
   95   2HD1  ILE  13          HD12      ILE  13  -0.114   2.973   3.751
   96   3HD1  ILE  13          HD13      ILE  13  -0.902   3.718   2.360
   97    H    GLU  14           HN       GLU  14   0.120   4.616   8.233
   98    HA   GLU  14           HA       GLU  14   2.316   6.073   9.272
   99   1HB   GLU  14          HB2       GLU  14   0.151   4.557  10.741
  100   2HB   GLU  14          HB1       GLU  14   1.228   5.752  11.451
  101   1HG   GLU  14          HG2       GLU  14  -0.821   6.261   9.306
  102   2HG   GLU  14          HG1       GLU  14  -0.957   6.700  11.009
  103    H    THR  15           HN       THR  15   1.463   2.659   9.164
  104    HA   THR  15           HA       THR  15   3.532   1.851  11.006
  105    HB   THR  15           HB       THR  15   2.040   0.183   8.968
  106    HG1  THR  15           HG1      THR  15   0.856  -0.454  10.919
  107   1HG2  THR  15          HG21      THR  15   3.592  -0.669  11.413
  108   2HG2  THR  15          HG22      THR  15   4.142  -0.839   9.745
  109   3HG2  THR  15          HG23      THR  15   2.724  -1.730  10.302
  110    H    VAL  16           HN       VAL  16   3.082   1.593   7.517
  111    HA   VAL  16           HA       VAL  16   5.482   0.421   6.804
  112    HB   VAL  16           HB       VAL  16   3.507   0.704   5.342
  113   1HG1  VAL  16          HG11      VAL  16   4.524   3.507   4.907
  114   2HG1  VAL  16          HG12      VAL  16   3.177   3.106   5.966
  115   3HG1  VAL  16          HG13      VAL  16   3.068   2.767   4.240
  116   1HG2  VAL  16          HG21      VAL  16   4.831   1.262   3.273
  117   2HG2  VAL  16          HG22      VAL  16   5.502   0.012   4.308
  118   3HG2  VAL  16          HG23      VAL  16   6.190   1.628   4.338
  119    H    VAL  17           HN       VAL  17   4.754   3.845   7.288
  120    HA   VAL  17           HA       VAL  17   7.045   4.923   6.135
  121    HB   VAL  17           HB       VAL  17   5.188   6.335   6.724
  122   1HG1  VAL  17          HG11      VAL  17   4.327   5.376   8.686
  123   2HG1  VAL  17          HG12      VAL  17   4.898   6.974   9.161
  124   3HG1  VAL  17          HG13      VAL  17   5.858   5.544   9.541
  125   1HG2  VAL  17          HG21      VAL  17   7.684   7.078   8.247
  126   2HG2  VAL  17          HG22      VAL  17   6.394   8.193   7.793
  127   3HG2  VAL  17          HG23      VAL  17   7.359   7.405   6.545
  128    H    SER  18           HN       SER  18   6.573   3.640   9.379
  129    HA   SER  18           HA       SER  18   9.162   4.541  10.244
  130   1HB   SER  18          HB2       SER  18   7.183   2.664  11.550
  131   2HB   SER  18          HB1       SER  18   8.651   3.270  12.314
  132    HG   SER  18           HG       SER  18   6.253   4.454  12.091
  133    H    THR  19           HN       THR  19   7.962   1.775   8.607
  134    HA   THR  19           HA       THR  19  10.094   0.037   9.477
  135    HB   THR  19           HB       THR  19   9.156  -1.621   7.957
  136    HG1  THR  19           HG1      THR  19   7.365   0.468   7.220
  137   1HG2  THR  19          HG21      THR  19   7.033  -0.189   9.557
  138   2HG2  THR  19          HG22      THR  19   8.177  -1.372  10.190
  139   3HG2  THR  19          HG23      THR  19   6.964  -1.865   9.009
  140    H    PHE  20           HN       PHE  20   9.127   0.568   6.143
  141    HA   PHE  20           HA       PHE  20  11.843   0.208   5.269
  142   1HB   PHE  20          HB2       PHE  20  10.229  -1.074   4.096
  143   2HB   PHE  20          HB1       PHE  20   9.229   0.343   3.849
  144    HD1  PHE  20           HD1      PHE  20  12.860   0.331   3.312
  145    HD2  PHE  20           HD2      PHE  20   9.025   0.093   1.504
  146    HE1  PHE  20           HE1      PHE  20  13.894   0.702   1.109
  147    HE2  PHE  20           HE2      PHE  20  10.028   0.468  -0.692
  148    HZ   PHE  20           HZ       PHE  20  12.454   0.786  -0.901
  149    H    PHE  21           HN       PHE  21   9.535   2.764   5.477
  150    HA   PHE  21           HA       PHE  21  11.088   4.415   3.726
  151   1HB   PHE  21          HB2       PHE  21   8.845   5.283   5.554
  152   2HB   PHE  21          HB1       PHE  21   9.420   6.100   4.094
  153    HD1  PHE  21           HD1      PHE  21   6.584   5.515   4.347
  154    HD2  PHE  21           HD2      PHE  21   9.749   3.011   2.903
  155    HE1  PHE  21           HE1      PHE  21   4.946   4.206   3.061
  156    HE2  PHE  21           HE2      PHE  21   8.077   1.722   1.609
  157    HZ   PHE  21           HZ       PHE  21   5.697   2.314   1.690
  158    H    THR  22           HN       THR  22  11.449   3.408   6.844
  159    HA   THR  22           HA       THR  22  12.777   5.798   7.744
  160    HB   THR  22           HB       THR  22  13.689   4.262   9.515
  161    HG1  THR  22           HG1      THR  22  13.264   2.390   8.072
  162   1HG2  THR  22          HG21      THR  22  11.548   4.112  10.694
  163   2HG2  THR  22          HG22      THR  22  10.702   4.352   9.162
  164   3HG2  THR  22          HG23      THR  22  11.684   5.650   9.839
  165    H    PHE  23           HN       PHE  23  13.466   3.593   5.349
  166    HA   PHE  23           HA       PHE  23  16.171   2.967   5.873
  167   1HB   PHE  23          HB2       PHE  23  14.546   3.167   3.349
  168   2HB   PHE  23          HB1       PHE  23  16.269   2.815   3.305
  169    HD1  PHE  23           HD1      PHE  23  13.717   1.674   5.729
  170    HD2  PHE  23           HD2      PHE  23  16.438   0.650   2.619
  171    HE1  PHE  23           HE1      PHE  23  13.380  -0.704   6.225
  172    HE2  PHE  23           HE2      PHE  23  16.086  -1.732   3.105
  173    HZ   PHE  23           HZ       PHE  23  14.562  -2.421   4.912
  174    H    ALA  24           HN       ALA  24  14.641   5.795   4.472
  175    HA   ALA  24           HA       ALA  24  16.781   7.198   3.417
  176   1HB   ALA  24          HB1       ALA  24  14.287   7.824   3.715
  177   2HB   ALA  24          HB2       ALA  24  15.523   9.087   3.631
  178   3HB   ALA  24          HB3       ALA  24  14.867   8.596   5.193
  179    H    GLY  25           HN       GLY  25  16.030   6.433   6.721
  180   1HA   GLY  25          HA2       GLY  25  17.483   8.220   8.199
  181   2HA   GLY  25          HA1       GLY  25  17.374   6.512   8.598
  182    H    ARG  26           HN       ARG  26  18.800   5.450   6.398
  183    HA   ARG  26           HA       ARG  26  21.416   5.546   7.317
  184   1HB   ARG  26          HB2       ARG  26  20.736   3.725   5.910
  185   2HB   ARG  26          HB1       ARG  26  20.348   4.816   4.584
  186   1HG   ARG  26          HG2       ARG  26  22.575   5.177   4.058
  187   2HG   ARG  26          HG1       ARG  26  23.139   4.672   5.651
  188   1HD   ARG  26          HD2       ARG  26  21.869   2.819   3.644
  189   2HD   ARG  26          HD1       ARG  26  23.610   3.052   3.809
  190    HE   ARG  26           HE       ARG  26  22.230   2.298   6.238
  191   1HH1  ARG  26          HH11      ARG  26  23.986   1.197   3.430
  192   2HH1  ARG  26          HH12      ARG  26  24.432  -0.313   4.146
  193   1HH2  ARG  26          HH21      ARG  26  22.827   0.314   7.184
  194   2HH2  ARG  26          HH22      ARG  26  23.777  -0.815   6.277
  195    H    GLU  27           HN       GLU  27  19.814   7.497   4.867
  196    HA   GLU  27           HA       GLU  27  22.268   8.922   4.252
  197   1HB   GLU  27          HB2       GLU  27  19.436   9.210   3.241
  198   2HB   GLU  27          HB1       GLU  27  20.758  10.251   2.729
  199   1HG   GLU  27          HG2       GLU  27  20.661   7.264   2.378
  200   2HG   GLU  27          HG1       GLU  27  20.296   8.452   1.129
  201    H    GLY  28           HN       GLY  28  22.872  10.794   5.115
  202   1HA   GLY  28          HA2       GLY  28  21.994  11.803   7.473
  203   2HA   GLY  28          HA1       GLY  28  22.795  12.788   6.264
  204    H    ARG  29           HN       ARG  29  21.332  13.663   4.525
  205    HA   ARG  29           HA       ARG  29  19.543  15.426   5.519
  206   1HB   ARG  29          HB2       ARG  29  20.457  15.184   3.124
  207   2HB   ARG  29          HB1       ARG  29  19.050  14.171   2.832
  208   1HG   ARG  29          HG2       ARG  29  18.402  16.719   4.096
  209   2HG   ARG  29          HG1       ARG  29  19.163  16.886   2.513
  210   1HD   ARG  29          HD2       ARG  29  17.480  15.292   1.607
  211   2HD   ARG  29          HD1       ARG  29  16.688  15.298   3.179
  212    HE   ARG  29           HE       ARG  29  15.862  17.406   2.745
  213   1HH1  ARG  29          HH11      ARG  29  18.171  16.514   0.286
  214   2HH1  ARG  29          HH12      ARG  29  17.729  17.809  -0.774
  215   1HH2  ARG  29          HH21      ARG  29  15.283  19.112   1.353
  216   2HH2  ARG  29          HH22      ARG  29  16.093  19.284  -0.169
  217    H    LYS  30           HN       LYS  30  17.160  15.595   5.165
  218    HA   LYS  30           HA       LYS  30  15.880  13.143   6.135
  219   1HB   LYS  30          HB2       LYS  30  15.721  15.483   7.278
  220   2HB   LYS  30          HB1       LYS  30  14.547  15.829   6.016
  221   1HG   LYS  30          HG2       LYS  30  13.191  13.940   6.747
  222   2HG   LYS  30          HG1       LYS  30  14.373  13.575   8.005
  223   1HD   LYS  30          HD2       LYS  30  12.779  16.126   7.761
  224   2HD   LYS  30          HD1       LYS  30  12.465  14.818   8.903
  225   1HE   LYS  30          HE2       LYS  30  14.985  16.474   8.776
  226   2HE   LYS  30          HE1       LYS  30  13.678  16.685   9.941
  227   1HZ   LYS  30          HZ1       LYS  30  15.489  15.409  10.887
  228   2HZ   LYS  30          HZ2       LYS  30  15.370  14.260   9.651
  229   3HZ   LYS  30          HZ3       LYS  30  14.105  14.444  10.758
  230    H    GLY  31           HN       GLY  31  16.502  13.048   3.493
  231   1HA   GLY  31          HA2       GLY  31  14.046  13.715   2.028
  232   2HA   GLY  31          HA1       GLY  31  15.584  13.299   1.298
  233    H    SER  32           HN       SER  32  16.079  11.216   0.942
  234    HA   SER  32           HA       SER  32  14.302   9.172   1.985
  235   1HB   SER  32          HB2       SER  32  13.565   8.393  -0.092
  236   2HB   SER  32          HB1       SER  32  13.459  10.130  -0.259
  237    HG   SER  32           HG       SER  32  15.068   8.341  -1.561
  238    H    LEU  33           HN       LEU  33  15.082   7.029   1.649
  239    HA   LEU  33           HA       LEU  33  17.971   7.041   1.086
  240   1HB   LEU  33          HB2       LEU  33  17.595   5.775   3.103
  241   2HB   LEU  33          HB1       LEU  33  16.400   4.761   2.336
  242    HG   LEU  33           HG       LEU  33  18.195   3.915   0.849
  243   1HD1  LEU  33          HD11      LEU  33  20.126   5.275   2.717
  244   2HD1  LEU  33          HD12      LEU  33  19.583   6.066   1.243
  245   3HD1  LEU  33          HD13      LEU  33  20.452   4.533   1.152
  246   1HD2  LEU  33          HD21      LEU  33  18.170   2.337   2.352
  247   2HD2  LEU  33          HD22      LEU  33  17.972   3.473   3.677
  248   3HD2  LEU  33          HD23      LEU  33  19.578   3.113   3.065
  249    H    ASN  34           HN       ASN  34  18.760   5.328  -0.323
  250    HA   ASN  34           HA       ASN  34  16.985   5.205  -2.576
  251   1HB   ASN  34          HB2       ASN  34  19.872   5.430  -2.083
  252   2HB   ASN  34          HB1       ASN  34  19.433   4.491  -3.521
  253   1HD2  ASN  34          HD21      ASN  34  20.243   6.001  -4.954
  254   2HD2  ASN  34          HD22      ASN  34  19.516   7.547  -5.204
  255    H    ILE  35           HN       ILE  35  19.705   3.023  -2.223
  256    HA   ILE  35           HA       ILE  35  17.914   0.895  -1.587
  257    HB   ILE  35           HB       ILE  35  19.221  -0.451  -3.467
  258   1HG1  ILE  35          HG12      ILE  35  19.534   0.819  -5.458
  259   2HG1  ILE  35          HG11      ILE  35  18.755   2.234  -4.763
  260   1HG2  ILE  35          HG21      ILE  35  16.656   0.224  -2.988
  261   2HG2  ILE  35          HG22      ILE  35  17.187  -0.716  -4.380
  262   3HG2  ILE  35          HG23      ILE  35  16.916   1.017  -4.542
  263   1HD1  ILE  35          HD11      ILE  35  21.069   1.365  -3.249
  264   2HD1  ILE  35          HD12      ILE  35  20.649   2.958  -3.870
  265   3HD1  ILE  35          HD13      ILE  35  21.450   1.788  -4.916
  266    H    ASN  36           HN       ASN  36  20.093   2.129  -0.198
  267    HA   ASN  36           HA       ASN  36  22.228   0.187  -0.158
  268   1HB   ASN  36          HB2       ASN  36  21.560   2.489   1.691
  269   2HB   ASN  36          HB1       ASN  36  23.039   1.531   1.779
  270   1HD2  ASN  36          HD21      ASN  36  24.603   1.758   0.167
  271   2HD2  ASN  36          HD22      ASN  36  24.633   3.127  -0.887
  272    H    GLU  37           HN       GLU  37  19.946   1.403   2.237
  273    HA   GLU  37           HA       GLU  37  20.098  -0.919   3.842
  274   1HB   GLU  37          HB2       GLU  37  17.917   1.119   3.735
  275   2HB   GLU  37          HB1       GLU  37  18.199  -0.006   5.048
  276   1HG   GLU  37          HG2       GLU  37  20.393   1.759   4.260
  277   2HG   GLU  37          HG1       GLU  37  19.028   2.525   5.060
  278    H    PHE  38           HN       PHE  38  18.048   0.186   1.179
  279    HA   PHE  38           HA       PHE  38  15.988  -1.591   1.273
  280   1HB   PHE  38          HB2       PHE  38  16.428   0.204  -0.447
  281   2HB   PHE  38          HB1       PHE  38  17.470  -0.961  -1.267
  282    HD1  PHE  38           HD1      PHE  38  14.293   0.380  -1.187
  283    HD2  PHE  38           HD2      PHE  38  16.289  -3.331  -1.613
  284    HE1  PHE  38           HE1      PHE  38  12.303  -0.536  -2.298
  285    HE2  PHE  38           HE2      PHE  38  14.317  -4.268  -2.738
  286    HZ   PHE  38           HZ       PHE  38  12.317  -2.873  -3.089
  287    H    LYS  39           HN       LYS  39  19.336  -2.149   0.562
  288    HA   LYS  39           HA       LYS  39  19.197  -4.632  -0.604
  289   1HB   LYS  39          HB2       LYS  39  21.326  -3.644   1.259
  290   2HB   LYS  39          HB1       LYS  39  21.491  -4.957   0.105
  291   1HG   LYS  39          HG2       LYS  39  20.521  -2.677  -1.237
  292   2HG   LYS  39          HG1       LYS  39  21.959  -2.226  -0.314
  293   1HD   LYS  39          HD2       LYS  39  21.743  -4.502  -2.290
  294   2HD   LYS  39          HD1       LYS  39  22.554  -2.961  -2.572
  295   1HE   LYS  39          HE2       LYS  39  24.100  -3.472  -0.715
  296   2HE   LYS  39          HE1       LYS  39  23.317  -5.040  -0.522
  297   1HZ   LYS  39          HZ1       LYS  39  25.332  -5.222  -1.833
  298   2HZ   LYS  39          HZ2       LYS  39  24.738  -4.106  -2.957
  299   3HZ   LYS  39          HZ3       LYS  39  23.981  -5.608  -2.777
  300    H    GLU  40           HN       GLU  40  18.494  -3.754   2.499
  301    HA   GLU  40           HA       GLU  40  18.762  -6.353   3.692
  302   1HB   GLU  40          HB2       GLU  40  18.161  -5.358   5.701
  303   2HB   GLU  40          HB1       GLU  40  18.890  -4.003   4.845
  304   1HG   GLU  40          HG2       GLU  40  16.681  -3.194   4.226
  305   2HG   GLU  40          HG1       GLU  40  15.939  -4.559   5.049
  306    H    LEU  41           HN       LEU  41  16.548  -4.807   1.674
  307    HA   LEU  41           HA       LEU  41  14.097  -5.856   2.537
  308   1HB   LEU  41          HB2       LEU  41  15.002  -4.949  -0.193
  309   2HB   LEU  41          HB1       LEU  41  13.352  -5.352   0.189
  310    HG   LEU  41           HG       LEU  41  14.804  -2.888   0.579
  311   1HD1  LEU  41          HD11      LEU  41  12.760  -1.944   0.229
  312   2HD1  LEU  41          HD12      LEU  41  11.901  -3.211   1.103
  313   3HD1  LEU  41          HD13      LEU  41  12.513  -3.521  -0.520
  314   1HD2  LEU  41          HD21      LEU  41  13.373  -4.032   2.971
  315   2HD2  LEU  41          HD22      LEU  41  13.652  -2.307   2.741
  316   3HD2  LEU  41          HD23      LEU  41  15.022  -3.409   2.889
  317    H    ALA  42           HN       ALA  42  14.987  -6.750  -0.740
  318    HA   ALA  42           HA       ALA  42  13.876  -9.173  -0.795
  319   1HB   ALA  42          HB1       ALA  42  15.930  -9.677  -2.380
  320   2HB   ALA  42          HB2       ALA  42  16.040  -7.914  -2.270
  321   3HB   ALA  42          HB3       ALA  42  14.552  -8.681  -2.836
  322    H    THR  43           HN       THR  43  16.909  -8.403   0.736
  323    HA   THR  43           HA       THR  43  17.987 -10.974   0.869
  324    HB   THR  43           HB       THR  43  19.117  -9.941   2.974
  325    HG1  THR  43           HG1      THR  43  18.249  -7.498   1.861
  326   1HG2  THR  43          HG21      THR  43  19.435  -8.606   0.294
  327   2HG2  THR  43          HG22      THR  43  20.187 -10.132   0.763
  328   3HG2  THR  43          HG23      THR  43  20.635  -8.637   1.584
  329    H    GLN  44           HN       GLN  44  16.224  -9.191   3.437
  330    HA   GLN  44           HA       GLN  44  15.763 -11.596   4.901
  331   1HB   GLN  44          HB2       GLN  44  14.784  -8.766   5.303
  332   2HB   GLN  44          HB1       GLN  44  14.425 -10.089   6.405
  333   1HG   GLN  44          HG2       GLN  44  16.825 -10.365   6.830
  334   2HG   GLN  44          HG1       GLN  44  17.157  -9.005   5.756
  335   1HE2  GLN  44          HE21      GLN  44  16.622  -6.921   6.416
  336   2HE2  GLN  44          HE22      GLN  44  16.285  -6.537   8.066
  337    H    GLN  45           HN       GLN  45  14.081  -9.549   2.694
  338    HA   GLN  45           HA       GLN  45  11.495 -10.616   3.091
  339   1HB   GLN  45          HB2       GLN  45  12.712  -9.262   0.682
  340   2HB   GLN  45          HB1       GLN  45  10.995  -9.560   0.911
  341   1HG   GLN  45          HG2       GLN  45  10.958  -8.112   2.834
  342   2HG   GLN  45          HG1       GLN  45  12.707  -7.897   2.747
  343   1HE2  GLN  45          HE21      GLN  45  10.910  -7.976  -0.218
  344   2HE2  GLN  45          HE22      GLN  45  11.003  -6.291  -0.545
  345    H    LEU  46           HN       LEU  46  14.304 -11.588   1.299
  346    HA   LEU  46           HA       LEU  46  13.442 -13.408  -0.489
  347   1HB   LEU  46          HB2       LEU  46  15.820 -13.194   1.195
  348   2HB   LEU  46          HB1       LEU  46  15.433 -14.847   0.800
  349    HG   LEU  46           HG       LEU  46  16.091 -12.619  -1.124
  350   1HD1  LEU  46          HD11      LEU  46  18.015 -13.593  -0.061
  351   2HD1  LEU  46          HD12      LEU  46  17.930 -14.126  -1.740
  352   3HD1  LEU  46          HD13      LEU  46  17.442 -15.217  -0.442
  353   1HD2  LEU  46          HD21      LEU  46  14.317 -13.923  -2.098
  354   2HD2  LEU  46          HD22      LEU  46  15.135 -15.423  -1.679
  355   3HD2  LEU  46          HD23      LEU  46  15.836 -14.340  -2.882
  356    HA   PRO  47           HA       PRO  47  12.440 -16.762   2.594
  357   1HB   PRO  47          HB2       PRO  47  13.176 -16.687   5.163
  358   2HB   PRO  47          HB1       PRO  47  14.292 -17.221   3.902
  359   1HG   PRO  47          HG2       PRO  47  14.120 -14.584   5.300
  360   2HG   PRO  47          HG1       PRO  47  15.555 -15.520   4.848
  361   1HD   PRO  47          HD2       PRO  47  14.596 -13.384   3.409
  362   2HD   PRO  47          HD1       PRO  47  15.563 -14.701   2.720
  363    H    HIS  48           HN       HIS  48  10.495 -15.637   2.220
  364    HA   HIS  48           HA       HIS  48   9.258 -14.351   4.520
  365   1HB   HIS  48          HB2       HIS  48   8.884 -14.203   1.630
  366   2HB   HIS  48          HB1       HIS  48   7.361 -14.413   2.497
  367    HD1  HIS  48           HD1      HIS  48   9.856 -11.908   1.649
  368    HD2  HIS  48           HD2      HIS  48   6.962 -12.394   4.585
  369    HE1  HIS  48           HE1      HIS  48   9.619  -9.661   2.730
  370    HE2  HIS  48           HE2      HIS  48   7.887  -9.979   4.533
  371    H    LEU  49           HN       LEU  49   6.622 -15.026   4.132
  372    HA   LEU  49           HA       LEU  49   6.546 -17.766   5.030
  373   1HB   LEU  49          HB2       LEU  49   4.383 -15.712   4.499
  374   2HB   LEU  49          HB1       LEU  49   4.033 -17.352   5.009
  375    HG   LEU  49           HG       LEU  49   5.352 -16.932   7.084
  376   1HD1  LEU  49          HD11      LEU  49   5.383 -14.101   6.050
  377   2HD1  LEU  49          HD12      LEU  49   6.782 -15.146   6.301
  378   3HD1  LEU  49          HD13      LEU  49   5.833 -14.594   7.682
  379   1HD2  LEU  49          HD21      LEU  49   3.030 -15.082   6.557
  380   2HD2  LEU  49          HD22      LEU  49   3.640 -15.529   8.150
  381   3HD2  LEU  49          HD23      LEU  49   2.933 -16.756   7.100
  382    H    LEU  50           HN       LEU  50   4.403 -16.244   2.646
  383    HA   LEU  50           HA       LEU  50   4.659 -18.527   0.866
  384   1HB   LEU  50          HB2       LEU  50   2.463 -17.413   1.345
  385   2HB   LEU  50          HB1       LEU  50   3.055 -15.992   0.504
  386    HG   LEU  50           HG       LEU  50   3.264 -17.319  -1.567
  387   1HD1  LEU  50          HD11      LEU  50   1.993 -19.503   0.076
  388   2HD1  LEU  50          HD12      LEU  50   3.630 -19.507  -0.583
  389   3HD1  LEU  50          HD13      LEU  50   2.241 -19.543  -1.670
  390   1HD2  LEU  50          HD21      LEU  50   0.858 -17.548  -1.997
  391   2HD2  LEU  50          HD22      LEU  50   1.239 -16.042  -1.161
  392   3HD2  LEU  50          HD23      LEU  50   0.543 -17.394  -0.268
  393    H    LYS  51           HN       LYS  51   7.090 -17.305   1.068
  394    HA   LYS  51           HA       LYS  51   7.842 -15.170  -0.334
  395   1HB   LYS  51          HB2       LYS  51   9.435 -16.493   0.844
  396   2HB   LYS  51          HB1       LYS  51   9.202 -17.852  -0.243
  397   1HG   LYS  51          HG2       LYS  51  10.064 -16.332  -2.080
  398   2HG   LYS  51          HG1       LYS  51  10.585 -15.223  -0.810
  399   1HD   LYS  51          HD2       LYS  51  11.626 -17.904  -1.621
  400   2HD   LYS  51          HD1       LYS  51  12.503 -16.449  -1.157
  401   1HE   LYS  51          HE2       LYS  51  12.894 -17.538   0.755
  402   2HE   LYS  51          HE1       LYS  51  11.234 -17.088   1.163
  403   1HZ   LYS  51          HZ1       LYS  51  12.078 -19.645  -0.103
  404   2HZ   LYS  51          HZ2       LYS  51  10.490 -19.223   0.299
  405   3HZ   LYS  51          HZ3       LYS  51  11.640 -19.449   1.519
  406    H    ASP  52           HN       ASP  52   8.663 -14.731  -2.365
  407    HA   ASP  52           HA       ASP  52   7.346 -16.177  -4.548
  408   1HB   ASP  52          HB2       ASP  52   8.455 -13.363  -4.387
  409   2HB   ASP  52          HB1       ASP  52   7.894 -14.100  -5.885
  410    H    VAL  53           HN       VAL  53  10.445 -15.013  -3.371
  411    HA   VAL  53           HA       VAL  53  12.472 -16.055  -3.630
  412    HB   VAL  53           HB       VAL  53  11.178 -17.909  -4.918
  413   1HG1  VAL  53          HG11      VAL  53  11.214 -16.394  -7.061
  414   2HG1  VAL  53          HG12      VAL  53  11.440 -18.136  -7.190
  415   3HG1  VAL  53          HG13      VAL  53  12.836 -17.059  -7.243
  416   1HG2  VAL  53          HG21      VAL  53  14.129 -17.424  -5.186
  417   2HG2  VAL  53          HG22      VAL  53  13.337 -18.977  -5.451
  418   3HG2  VAL  53          HG23      VAL  53  13.299 -18.229  -3.855
  419    H    GLY  54           HN       GLY  54  13.236 -14.077  -3.623
  420   1HA   GLY  54          HA2       GLY  54  13.318 -12.423  -5.965
  421   2HA   GLY  54          HA1       GLY  54  14.058 -12.080  -4.410
  422    H    SER  55           HN       SER  55  14.539 -13.237  -7.594
  423    HA   SER  55           HA       SER  55  17.006 -14.560  -7.263
  424   1HB   SER  55          HB2       SER  55  15.561 -14.627  -9.326
  425   2HB   SER  55          HB1       SER  55  16.110 -12.992  -9.693
  426    HG   SER  55           HG       SER  55  17.428 -14.412 -10.780
  427    H    LEU  56           HN       LEU  56  18.959 -13.790  -6.798
  428    HA   LEU  56           HA       LEU  56  19.567 -11.397  -5.762
  429   1HB   LEU  56          HB2       LEU  56  21.436 -12.949  -7.547
  430   2HB   LEU  56          HB1       LEU  56  21.906 -11.786  -6.322
  431    HG   LEU  56           HG       LEU  56  20.567 -14.446  -5.833
  432   1HD1  LEU  56          HD11      LEU  56  22.666 -15.041  -4.760
  433   2HD1  LEU  56          HD12      LEU  56  23.339 -13.464  -5.174
  434   3HD1  LEU  56          HD13      LEU  56  22.926 -14.609  -6.450
  435   1HD2  LEU  56          HD21      LEU  56  19.807 -12.744  -4.244
  436   2HD2  LEU  56          HD22      LEU  56  21.483 -12.361  -3.856
  437   3HD2  LEU  56          HD23      LEU  56  20.829 -13.951  -3.466
  438    H    ASP  57           HN       ASP  57  19.922 -12.087  -9.252
  439    HA   ASP  57           HA       ASP  57  20.962  -9.649 -10.044
  440   1HB   ASP  57          HB2       ASP  57  19.494 -10.065 -12.157
  441   2HB   ASP  57          HB1       ASP  57  20.867 -11.120 -11.812
  442    H    GLU  58           HN       GLU  58  17.545 -10.569  -9.912
  443    HA   GLU  58           HA       GLU  58  16.377  -8.222 -10.741
  444   1HB   GLU  58          HB2       GLU  58  15.494 -10.308  -8.760
  445   2HB   GLU  58          HB1       GLU  58  14.473  -8.926  -9.139
  446   1HG   GLU  58          HG2       GLU  58  14.566  -9.589 -11.527
  447   2HG   GLU  58          HG1       GLU  58  15.461 -11.031 -11.050
  448    H    LYS  59           HN       LYS  59  17.695  -9.089  -7.636
  449    HA   LYS  59           HA       LYS  59  16.844  -6.744  -6.321
  450   1HB   LYS  59          HB2       LYS  59  18.824  -8.877  -5.611
  451   2HB   LYS  59          HB1       LYS  59  18.499  -7.509  -4.561
  452   1HG   LYS  59          HG2       LYS  59  17.067  -9.060  -3.682
  453   2HG   LYS  59          HG1       LYS  59  16.008  -8.281  -4.847
  454   1HD   LYS  59          HD2       LYS  59  17.528 -10.478  -5.972
  455   2HD   LYS  59          HD1       LYS  59  16.466 -10.967  -4.654
  456   1HE   LYS  59          HE2       LYS  59  15.592  -9.331  -7.032
  457   2HE   LYS  59          HE1       LYS  59  15.379 -11.069  -6.892
  458   1HZ   LYS  59          HZ1       LYS  59  13.905  -8.923  -5.643
  459   2HZ   LYS  59          HZ2       LYS  59  14.293 -10.191  -4.601
  460   3HZ   LYS  59          HZ3       LYS  59  13.414 -10.497  -6.014
  461    H    MET  60           HN       MET  60  19.545  -7.575  -8.261
  462    HA   MET  60           HA       MET  60  21.141  -5.358  -7.434
  463   1HB   MET  60          HB2       MET  60  21.418  -7.303  -9.733
  464   2HB   MET  60          HB1       MET  60  22.608  -6.063  -9.340
  465   1HG   MET  60          HG2       MET  60  21.766  -8.333  -7.551
  466   2HG   MET  60          HG1       MET  60  23.262  -8.240  -8.478
  467   1HE   MET  60          HE1       MET  60  24.688  -8.719  -6.262
  468   2HE   MET  60          HE2       MET  60  23.168  -8.855  -5.377
  469   3HE   MET  60          HE3       MET  60  24.458  -7.823  -4.760
  470    H    LYS  61           HN       LYS  61  18.825  -6.052  -9.930
  471    HA   LYS  61           HA       LYS  61  19.483  -3.767 -11.581
  472   1HB   LYS  61          HB2       LYS  61  16.840  -5.004 -11.954
  473   2HB   LYS  61          HB1       LYS  61  18.094  -4.653 -13.138
  474   1HG   LYS  61          HG2       LYS  61  19.314  -6.681 -12.191
  475   2HG   LYS  61          HG1       LYS  61  17.788  -7.057 -11.386
  476   1HD   LYS  61          HD2       LYS  61  18.157  -6.701 -14.357
  477   2HD   LYS  61          HD1       LYS  61  18.002  -8.246 -13.519
  478   1HE   LYS  61          HE2       LYS  61  15.770  -7.583 -12.737
  479   2HE   LYS  61          HE1       LYS  61  15.927  -6.058 -13.606
  480   1HZ   LYS  61          HZ1       LYS  61  14.640  -7.675 -14.859
  481   2HZ   LYS  61          HZ2       LYS  61  15.939  -8.757 -14.848
  482   3HZ   LYS  61          HZ3       LYS  61  16.069  -7.288 -15.677
  483    H    THR  62           HN       THR  62  16.421  -4.717 -10.080
  484    HA   THR  62           HA       THR  62  15.144  -2.303 -10.228
  485    HB   THR  62           HB       THR  62  14.884  -4.233  -7.920
  486    HG1  THR  62           HG1      THR  62  14.588  -5.101 -10.134
  487   1HG2  THR  62          HG21      THR  62  12.595  -3.355  -7.767
  488   2HG2  THR  62          HG22      THR  62  12.961  -2.201  -9.050
  489   3HG2  THR  62          HG23      THR  62  13.798  -2.092  -7.501
  490    H    LEU  63           HN       LEU  63  17.690  -3.273  -8.121
  491    HA   LEU  63           HA       LEU  63  17.695  -1.705  -5.961
  492   1HB   LEU  63          HB2       LEU  63  19.508  -3.207  -6.670
  493   2HB   LEU  63          HB1       LEU  63  19.995  -2.050  -7.888
  494    HG   LEU  63           HG       LEU  63  19.947  -1.096  -5.093
  495   1HD1  LEU  63          HD11      LEU  63  20.904  -3.327  -4.849
  496   2HD1  LEU  63          HD12      LEU  63  22.121  -2.074  -4.605
  497   3HD1  LEU  63          HD13      LEU  63  22.067  -2.967  -6.125
  498   1HD2  LEU  63          HD21      LEU  63  20.610   0.334  -6.993
  499   2HD2  LEU  63          HD22      LEU  63  21.922  -0.790  -7.351
  500   3HD2  LEU  63          HD23      LEU  63  21.921   0.109  -5.834
  501    H    ASP  64           HN       ASP  64  19.062  -0.544  -9.044
  502    HA   ASP  64           HA       ASP  64  19.235   2.151  -8.225
  503   1HB   ASP  64          HB2       ASP  64  19.255   0.823 -10.935
  504   2HB   ASP  64          HB1       ASP  64  19.430   2.567 -10.743
  505    H    VAL  65           HN       VAL  65  16.608   0.250  -9.374
  506    HA   VAL  65           HA       VAL  65  15.025   2.458 -10.314
  507    HB   VAL  65           HB       VAL  65  14.203  -0.391  -9.722
  508   1HG1  VAL  65          HG11      VAL  65  12.785   1.791 -11.252
  509   2HG1  VAL  65          HG12      VAL  65  12.296   1.118  -9.696
  510   3HG1  VAL  65          HG13      VAL  65  12.262   0.111 -11.144
  511   1HG2  VAL  65          HG21      VAL  65  14.355  -0.705 -12.150
  512   2HG2  VAL  65          HG22      VAL  65  15.914  -0.262 -11.454
  513   3HG2  VAL  65          HG23      VAL  65  14.961   0.942 -12.322
  514    H    ASN  66           HN       ASN  66  14.413   0.110  -7.667
  515    HA   ASN  66           HA       ASN  66  12.565   1.939  -6.423
  516   1HB   ASN  66          HB2       ASN  66  13.573  -0.790  -5.674
  517   2HB   ASN  66          HB1       ASN  66  12.548   0.155  -4.584
  518   1HD2  ASN  66          HD21      ASN  66  10.780   1.288  -6.372
  519   2HD2  ASN  66          HD22      ASN  66   9.843   0.053  -7.129
  520    H    GLN  67           HN       GLN  67  14.881   3.320  -6.428
  521    HA   GLN  67           HA       GLN  67  16.293   2.855  -3.978
  522   1HB   GLN  67          HB2       GLN  67  17.075   5.340  -4.520
  523   2HB   GLN  67          HB1       GLN  67  17.790   3.937  -5.274
  524   1HG   GLN  67          HG2       GLN  67  17.525   5.448  -6.985
  525   2HG   GLN  67          HG1       GLN  67  16.199   4.331  -7.158
  526   1HE2  GLN  67          HE21      GLN  67  14.237   5.108  -7.386
  527   2HE2  GLN  67          HE22      GLN  67  13.760   6.721  -7.007
  528    H    ASP  68           HN       ASP  68  13.998   5.219  -5.128
  529    HA   ASP  68           HA       ASP  68  13.836   6.455  -2.544
  530   1HB   ASP  68          HB2       ASP  68  12.509   7.028  -5.176
  531   2HB   ASP  68          HB1       ASP  68  12.118   7.882  -3.689
  532    H    SER  69           HN       SER  69  12.708   3.647  -3.563
  533    HA   SER  69           HA       SER  69   9.973   3.618  -3.140
  534   1HB   SER  69          HB2       SER  69  12.101   1.498  -2.731
  535   2HB   SER  69          HB1       SER  69  10.396   1.181  -2.403
  536    HG   SER  69           HG       SER  69  10.131   2.066  -4.656
  537    H    GLU  70           HN       GLU  70  12.615   4.025  -1.030
  538    HA   GLU  70           HA       GLU  70  10.920   4.128   1.379
  539   1HB   GLU  70          HB2       GLU  70  13.119   4.442   2.527
  540   2HB   GLU  70          HB1       GLU  70  13.016   2.902   1.686
  541   1HG   GLU  70          HG2       GLU  70  14.037   4.755  -0.134
  542   2HG   GLU  70          HG1       GLU  70  14.875   5.028   1.383
  543    H    LEU  71           HN       LEU  71  10.190   6.263   1.791
  544    HA   LEU  71           HA       LEU  71  12.043   8.369   1.033
  545   1HB   LEU  71          HB2       LEU  71  10.689   8.051  -0.782
  546   2HB   LEU  71          HB1       LEU  71   9.243   7.893   0.192
  547    HG   LEU  71           HG       LEU  71   9.428   9.875  -1.117
  548   1HD1  LEU  71          HD11      LEU  71   9.280  11.412   1.162
  549   2HD1  LEU  71          HD12      LEU  71   8.666   9.840   1.590
  550   3HD1  LEU  71          HD13      LEU  71   7.961  10.725   0.250
  551   1HD2  LEU  71          HD21      LEU  71  11.590  10.491  -1.223
  552   2HD2  LEU  71          HD22      LEU  71  11.777  10.379   0.505
  553   3HD2  LEU  71          HD23      LEU  71  10.875  11.713  -0.187
  554    H    ARG  72           HN       ARG  72  12.047  10.222   2.169
  555    HA   ARG  72           HA       ARG  72  10.093  10.509   4.321
  556   1HB   ARG  72          HB2       ARG  72  12.603  12.091   4.292
  557   2HB   ARG  72          HB1       ARG  72  11.690  11.484   5.664
  558   1HG   ARG  72          HG2       ARG  72  13.688  10.127   3.950
  559   2HG   ARG  72          HG1       ARG  72  13.662  10.299   5.701
  560   1HD   ARG  72          HD2       ARG  72  12.383   8.294   3.964
  561   2HD   ARG  72          HD1       ARG  72  13.019   8.144   5.593
  562    HE   ARG  72           HE       ARG  72  10.309   8.589   4.891
  563   1HH1  ARG  72          HH11      ARG  72  12.718   9.412   7.265
  564   2HH1  ARG  72          HH12      ARG  72  11.568   9.647   8.539
  565   1HH2  ARG  72          HH21      ARG  72   8.787   8.890   6.560
  566   2HH2  ARG  72          HH22      ARG  72   9.331   9.348   8.139
  567    H    PHE  73           HN       PHE  73  11.612  12.003   1.557
  568    HA   PHE  73           HA       PHE  73  10.173  14.455   2.022
  569   1HB   PHE  73          HB2       PHE  73  11.565  15.552   0.437
  570   2HB   PHE  73          HB1       PHE  73  12.551  14.595   1.498
  571    HD1  PHE  73           HD1      PHE  73  12.970  12.039   0.316
  572    HD2  PHE  73           HD2      PHE  73  12.345  15.760  -1.644
  573    HE1  PHE  73           HE1      PHE  73  14.092  11.163  -1.656
  574    HE2  PHE  73           HE2      PHE  73  13.486  14.888  -3.634
  575    HZ   PHE  73           HZ       PHE  73  14.364  12.591  -3.648
  576    H    SER  74           HN       SER  74  10.542  13.823  -1.455
  577    HA   SER  74           HA       SER  74   7.620  13.622  -1.485
  578   1HB   SER  74          HB2       SER  74   8.054  14.665  -3.900
  579   2HB   SER  74          HB1       SER  74   7.826  15.667  -2.467
  580    HG   SER  74           HG       SER  74   9.711  16.193  -3.760
  581    H    GLU  75           HN       GLU  75  10.181  11.784  -2.120
  582    HA   GLU  75           HA       GLU  75   9.235  10.781  -4.637
  583   1HB   GLU  75          HB2       GLU  75  11.329   9.645  -2.803
  584   2HB   GLU  75          HB1       GLU  75  11.053   9.182  -4.478
  585   1HG   GLU  75          HG2       GLU  75  11.833  11.943  -3.605
  586   2HG   GLU  75          HG1       GLU  75  12.979  10.709  -4.123
  587    H    TYR  76           HN       TYR  76   7.635  10.592  -2.014
  588    HA   TYR  76           HA       TYR  76   7.332   7.970  -1.255
  589   1HB   TYR  76          HB2       TYR  76   5.813  10.451  -0.947
  590   2HB   TYR  76          HB1       TYR  76   4.811   9.006  -0.886
  591    HD1  TYR  76           HD1      TYR  76   7.367   7.487   0.382
  592    HD2  TYR  76           HD2      TYR  76   5.087  10.920   1.374
  593    HE1  TYR  76           HE1      TYR  76   8.054   7.221   2.657
  594    HE2  TYR  76           HE2      TYR  76   5.753  10.656   3.729
  595    HH   TYR  76           HH       TYR  76   6.545   8.925   5.239
  596    H    TRP  77           HN       TRP  77   6.271   9.541  -4.082
  597    HA   TRP  77           HA       TRP  77   4.200   7.758  -4.780
  598   1HB   TRP  77          HB2       TRP  77   4.633   8.441  -7.103
  599   2HB   TRP  77          HB1       TRP  77   4.649   9.845  -6.033
  600    HD1  TRP  77           HD1      TRP  77   7.265   7.367  -7.450
  601    HE1  TRP  77           HE1      TRP  77   9.388   8.688  -7.984
  602    HE3  TRP  77           HE3      TRP  77   5.741  11.978  -5.912
  603    HZ2  TRP  77           HZ2      TRP  77  10.312  11.367  -7.791
  604    HZ3  TRP  77           HZ3      TRP  77   7.291  13.871  -6.110
  605    HH2  TRP  77           HH2      TRP  77   9.533  13.574  -7.034
  606    H    ARG  78           HN       ARG  78   7.530   7.216  -4.254
  607    HA   ARG  78           HA       ARG  78   7.889   5.110  -6.159
  608   1HB   ARG  78          HB2       ARG  78   9.486   5.999  -3.747
  609   2HB   ARG  78          HB1       ARG  78  10.027   4.774  -4.898
  610   1HG   ARG  78          HG2       ARG  78   9.191   7.355  -6.028
  611   2HG   ARG  78          HG1       ARG  78  10.652   7.376  -5.063
  612   1HD   ARG  78          HD2       ARG  78  11.238   7.000  -7.366
  613   2HD   ARG  78          HD1       ARG  78  11.538   5.522  -6.452
  614    HE   ARG  78           HE       ARG  78   8.947   5.628  -7.699
  615   1HH1  ARG  78          HH11      ARG  78  12.295   4.759  -8.099
  616   2HH1  ARG  78          HH12      ARG  78  11.981   3.620  -9.366
  617   1HH2  ARG  78          HH21      ARG  78   8.522   4.132  -9.364
  618   2HH2  ARG  78          HH22      ARG  78   9.836   3.265 -10.086
  619    H    LEU  79           HN       LEU  79   7.093   5.404  -2.732
  620    HA   LEU  79           HA       LEU  79   7.054   2.630  -2.223
  621   1HB   LEU  79          HB2       LEU  79   5.013   3.937  -0.680
  622   2HB   LEU  79          HB1       LEU  79   6.483   3.158  -0.146
  623    HG   LEU  79           HG       LEU  79   6.595   5.983  -1.131
  624   1HD1  LEU  79          HD11      LEU  79   6.268   5.948   1.671
  625   2HD1  LEU  79          HD12      LEU  79   4.931   5.023   0.988
  626   3HD1  LEU  79          HD13      LEU  79   5.215   6.682   0.465
  627   1HD2  LEU  79          HD21      LEU  79   8.209   5.895   0.946
  628   2HD2  LEU  79          HD22      LEU  79   8.721   5.316  -0.637
  629   3HD2  LEU  79          HD23      LEU  79   8.187   4.180   0.588
  630    H    ILE  80           HN       ILE  80   5.010   4.670  -4.011
  631    HA   ILE  80           HA       ILE  80   2.515   3.767  -3.679
  632    HB   ILE  80           HB       ILE  80   3.493   5.504  -5.354
  633   1HG1  ILE  80          HG12      ILE  80   1.085   3.858  -6.174
  634   2HG1  ILE  80          HG11      ILE  80   1.069   5.078  -4.904
  635   1HG2  ILE  80          HG21      ILE  80   3.233   3.113  -7.155
  636   2HG2  ILE  80          HG22      ILE  80   4.733   3.921  -6.706
  637   3HG2  ILE  80          HG23      ILE  80   3.524   4.777  -7.661
  638   1HD1  ILE  80          HD11      ILE  80   1.625   6.792  -6.534
  639   2HD1  ILE  80          HD12      ILE  80   0.164   5.924  -7.005
  640   3HD1  ILE  80          HD13      ILE  80   1.696   5.574  -7.806
  641    H    GLY  81           HN       GLY  81   4.818   2.174  -5.892
  642   1HA   GLY  81          HA2       GLY  81   3.001  -0.053  -6.269
  643   2HA   GLY  81          HA1       GLY  81   4.621   0.099  -6.925
  644    H    GLU  82           HN       GLU  82   5.005   0.835  -3.785
  645    HA   GLU  82           HA       GLU  82   6.131  -1.773  -3.226
  646   1HB   GLU  82          HB2       GLU  82   6.019   0.720  -1.554
  647   2HB   GLU  82          HB1       GLU  82   6.965  -0.716  -1.169
  648   1HG   GLU  82          HG2       GLU  82   7.368   1.037  -3.586
  649   2HG   GLU  82          HG1       GLU  82   8.364   1.057  -2.127
  650    H    LEU  83           HN       LEU  83   4.023   0.373  -1.332
  651    HA   LEU  83           HA       LEU  83   3.251  -1.391   0.604
  652   1HB   LEU  83          HB2       LEU  83   2.190   1.069  -0.522
  653   2HB   LEU  83          HB1       LEU  83   0.930   0.024   0.101
  654    HG   LEU  83           HG       LEU  83   3.328   0.946   1.682
  655   1HD1  LEU  83          HD11      LEU  83   1.840   2.804   1.166
  656   2HD1  LEU  83          HD12      LEU  83   1.741   2.376   2.873
  657   3HD1  LEU  83          HD13      LEU  83   0.462   1.882   1.765
  658   1HD2  LEU  83          HD21      LEU  83   2.109   0.044   3.596
  659   2HD2  LEU  83          HD22      LEU  83   2.456  -1.212   2.407
  660   3HD2  LEU  83          HD23      LEU  83   0.834  -0.528   2.520
  661    H    ALA  84           HN       ALA  84   2.287  -1.326  -2.712
  662    HA   ALA  84           HA       ALA  84   0.083  -3.116  -2.347
  663   1HB   ALA  84          HB1       ALA  84  -0.140  -3.056  -4.729
  664   2HB   ALA  84          HB2       ALA  84   1.478  -2.379  -4.908
  665   3HB   ALA  84          HB3       ALA  84   0.198  -1.421  -4.165
  666    H    LYS  85           HN       LYS  85   3.476  -3.391  -3.239
  667    HA   LYS  85           HA       LYS  85   3.427  -6.007  -4.197
  668   1HB   LYS  85          HB2       LYS  85   5.548  -4.283  -3.036
  669   2HB   LYS  85          HB1       LYS  85   5.874  -6.004  -3.245
  670   1HG   LYS  85          HG2       LYS  85   5.264  -5.825  -5.614
  671   2HG   LYS  85          HG1       LYS  85   4.974  -4.101  -5.402
  672   1HD   LYS  85          HD2       LYS  85   7.621  -5.466  -4.934
  673   2HD   LYS  85          HD1       LYS  85   7.159  -4.623  -6.417
  674   1HE   LYS  85          HE2       LYS  85   7.117  -3.291  -3.733
  675   2HE   LYS  85          HE1       LYS  85   8.543  -3.303  -4.760
  676   1HZ   LYS  85          HZ1       LYS  85   7.541  -2.013  -6.350
  677   2HZ   LYS  85          HZ2       LYS  85   6.895  -1.349  -4.936
  678   3HZ   LYS  85          HZ3       LYS  85   5.975  -2.422  -5.865
  679    H    GLU  86           HN       GLU  86   2.842  -4.875  -1.070
  680    HA   GLU  86           HA       GLU  86   3.475  -7.346   0.249
  681   1HB   GLU  86          HB2       GLU  86   1.589  -5.383   1.457
  682   2HB   GLU  86          HB1       GLU  86   2.860  -6.313   2.208
  683   1HG   GLU  86          HG2       GLU  86   3.187  -3.891   0.492
  684   2HG   GLU  86          HG1       GLU  86   3.371  -3.981   2.240
  685    H    VAL  87           HN       VAL  87   0.560  -5.573  -0.653
  686    HA   VAL  87           HA       VAL  87  -1.202  -7.690   0.036
  687    HB   VAL  87           HB       VAL  87  -1.707  -5.208  -1.596
  688   1HG1  VAL  87          HG11      VAL  87  -3.379  -6.804  -2.161
  689   2HG1  VAL  87          HG12      VAL  87  -4.093  -5.659  -1.037
  690   3HG1  VAL  87          HG13      VAL  87  -3.604  -7.253  -0.472
  691   1HG2  VAL  87          HG21      VAL  87  -1.040  -4.688   0.666
  692   2HG2  VAL  87          HG22      VAL  87  -2.210  -5.840   1.308
  693   3HG2  VAL  87          HG23      VAL  87  -2.768  -4.389   0.475
  694    H    ARG  88           HN       ARG  88   0.869  -7.326  -2.557
  695    HA   ARG  88           HA       ARG  88  -0.793  -8.298  -4.643
  696   1HB   ARG  88          HB2       ARG  88   1.513  -7.110  -4.754
  697   2HB   ARG  88          HB1       ARG  88   2.171  -8.737  -4.587
  698   1HG   ARG  88          HG2       ARG  88   0.314  -7.797  -6.761
  699   2HG   ARG  88          HG1       ARG  88   2.047  -8.076  -6.923
  700   1HD   ARG  88          HD2       ARG  88  -0.067 -10.136  -6.296
  701   2HD   ARG  88          HD1       ARG  88   0.810  -9.958  -7.815
  702    HE   ARG  88           HE       ARG  88   2.674 -10.315  -5.760
  703   1HH1  ARG  88          HH11      ARG  88   0.166 -12.089  -7.403
  704   2HH1  ARG  88          HH12      ARG  88   0.915 -13.631  -7.156
  705   1HH2  ARG  88          HH21      ARG  88   3.669 -12.343  -5.430
  706   2HH2  ARG  88          HH22      ARG  88   2.906 -13.775  -6.035
  707    H    LYS  89           HN       LYS  89   1.916 -10.073  -3.125
  708    HA   LYS  89           HA       LYS  89   0.984 -12.600  -3.990
  709   1HB   LYS  89          HB2       LYS  89   2.508 -13.485  -2.140
  710   2HB   LYS  89          HB1       LYS  89   3.276 -12.528  -3.391
  711   1HG   LYS  89          HG2       LYS  89   2.435 -10.799  -1.282
  712   2HG   LYS  89          HG1       LYS  89   3.352 -12.156  -0.599
  713   1HD   LYS  89          HD2       LYS  89   4.760 -10.191  -1.223
  714   2HD   LYS  89          HD1       LYS  89   5.218 -11.680  -2.042
  715   1HE   LYS  89          HE2       LYS  89   3.903 -10.906  -4.025
  716   2HE   LYS  89          HE1       LYS  89   3.655  -9.379  -3.196
  717   1HZ   LYS  89          HZ1       LYS  89   6.018  -9.015  -3.174
  718   2HZ   LYS  89          HZ2       LYS  89   5.505  -9.302  -4.760
  719   3HZ   LYS  89          HZ3       LYS  89   6.298 -10.519  -3.895
  720    H    GLU  90           HN       GLU  90   0.495 -10.638  -1.178
  721    HA   GLU  90           HA       GLU  90  -0.772 -12.484   0.481
  722   1HB   GLU  90          HB2       GLU  90  -0.916  -9.497   0.247
  723   2HB   GLU  90          HB1       GLU  90  -1.809 -10.376   1.484
  724   1HG   GLU  90          HG2       GLU  90   1.172 -10.443   1.086
  725   2HG   GLU  90          HG1       GLU  90   0.325  -9.487   2.302
  726    H    LYS  91           HN       LYS  91  -1.816 -11.081  -2.459
  727    HA   LYS  91           HA       LYS  91  -4.543 -10.884  -2.145
  728   1HB   LYS  91          HB2       LYS  91  -4.749 -11.037  -4.484
  729   2HB   LYS  91          HB1       LYS  91  -3.168 -10.326  -4.206
  730   1HG   LYS  91          HG2       LYS  91  -2.129 -12.518  -4.576
  731   2HG   LYS  91          HG1       LYS  91  -3.724 -13.205  -4.891
  732   1HD   LYS  91          HD2       LYS  91  -3.994 -11.580  -6.755
  733   2HD   LYS  91          HD1       LYS  91  -2.335 -11.048  -6.478
  734   1HE   LYS  91          HE2       LYS  91  -2.393 -12.643  -8.295
  735   2HE   LYS  91          HE1       LYS  91  -1.549 -13.340  -6.913
  736   1HZ   LYS  91          HZ1       LYS  91  -3.567 -14.543  -6.338
  737   2HZ   LYS  91          HZ2       LYS  91  -3.068 -14.928  -7.907
  738   3HZ   LYS  91          HZ3       LYS  91  -4.371 -13.877  -7.669
  739    H    ALA  92           HN       ALA  92  -2.627 -13.690  -3.018
  740    HA   ALA  92           HA       ALA  92  -4.868 -15.501  -2.830
  741   1HB   ALA  92          HB1       ALA  92  -3.167 -17.252  -3.284
  742   2HB   ALA  92          HB2       ALA  92  -1.921 -16.003  -3.243
  743   3HB   ALA  92          HB3       ALA  92  -3.177 -15.958  -4.482
  744    H    LEU  93           HN       LEU  93  -2.492 -14.277  -0.651
  745    HA   LEU  93           HA       LEU  93  -2.785 -16.499   1.199
  746   1HB   LEU  93          HB2       LEU  93  -0.700 -14.936   0.950
  747   2HB   LEU  93          HB1       LEU  93  -1.634 -13.844   1.969
  748    HG   LEU  93           HG       LEU  93  -1.893 -16.173   3.353
  749   1HD1  LEU  93          HD11      LEU  93   0.326 -17.189   3.497
  750   2HD1  LEU  93          HD12      LEU  93   0.893 -16.153   2.188
  751   3HD1  LEU  93          HD13      LEU  93  -0.358 -17.357   1.880
  752   1HD2  LEU  93          HD21      LEU  93   0.387 -14.218   3.684
  753   2HD2  LEU  93          HD22      LEU  93  -0.369 -15.205   4.936
  754   3HD2  LEU  93          HD23      LEU  93  -1.276 -13.898   4.174
  755    H    GLY  94           HN       GLY  94  -4.298 -13.447   0.608
  756   1HA   GLY  94          HA2       GLY  94  -5.440 -12.852   3.045
  757   2HA   GLY  94          HA1       GLY  94  -6.255 -12.609   1.504
  758    H    ILE  95           HN       ILE  95  -6.354 -15.342   0.743
  759    HA   ILE  95           HA       ILE  95  -8.733 -16.091   2.118
  760    HB   ILE  95           HB       ILE  95  -8.632 -18.148   0.712
  761   1HG1  ILE  95          HG12      ILE  95  -6.347 -16.860  -0.722
  762   2HG1  ILE  95          HG11      ILE  95  -6.031 -17.981   0.600
  763   1HG2  ILE  95          HG21      ILE  95  -9.780 -16.151  -0.008
  764   2HG2  ILE  95          HG22      ILE  95  -9.022 -16.967  -1.379
  765   3HG2  ILE  95          HG23      ILE  95  -8.268 -15.542  -0.670
  766   1HD1  ILE  95          HD11      ILE  95  -5.907 -19.123  -1.518
  767   2HD1  ILE  95          HD12      ILE  95  -7.527 -18.571  -1.945
  768   3HD1  ILE  95          HD13      ILE  95  -7.303 -19.704  -0.611
  769    H    ARG  96           HN       ARG  96  -7.241 -15.991   4.193
  770    HA   ARG  96           HA       ARG  96  -5.654 -18.219   4.818
  771   1HB   ARG  96          HB2       ARG  96  -7.195 -16.231   6.419
  772   2HB   ARG  96          HB1       ARG  96  -6.387 -17.564   7.231
  773   1HG   ARG  96          HG2       ARG  96  -4.551 -16.314   7.258
  774   2HG   ARG  96          HG1       ARG  96  -4.497 -16.439   5.497
  775   1HD   ARG  96          HD2       ARG  96  -4.437 -14.104   6.231
  776   2HD   ARG  96          HD1       ARG  96  -5.892 -14.456   5.296
  777    HE   ARG  96           HE       ARG  96  -6.360 -14.769   8.081
  778   1HH1  ARG  96          HH11      ARG  96  -6.000 -12.356   5.593
  779   2HH1  ARG  96          HH12      ARG  96  -6.963 -11.177   6.419
  780   1HH2  ARG  96          HH21      ARG  96  -7.631 -13.223   9.173
  781   2HH2  ARG  96          HH22      ARG  96  -7.889 -11.669   8.454
  782    H    LYS  97           HN       LYS  97  -9.024 -17.762   4.472
  783    HA   LYS  97           HA       LYS  97  -9.818 -20.164   5.874
  784   1HB   LYS  97          HB2       LYS  97 -12.010 -19.516   4.387
  785   2HB   LYS  97          HB1       LYS  97 -11.680 -18.849   5.978
  786   1HG   LYS  97          HG2       LYS  97 -10.646 -17.467   3.534
  787   2HG   LYS  97          HG1       LYS  97 -12.322 -17.245   4.022
  788   1HD   LYS  97          HD2       LYS  97 -11.676 -16.380   6.143
  789   2HD   LYS  97          HD1       LYS  97  -9.992 -16.843   5.887
  790   1HE   LYS  97          HE2       LYS  97  -9.740 -15.210   4.162
  791   2HE   LYS  97          HE1       LYS  97 -11.467 -14.848   4.182
  792   1HZ   LYS  97          HZ1       LYS  97  -9.618 -14.384   6.460
  793   2HZ   LYS  97          HZ2       LYS  97 -11.246 -13.939   6.380
  794   3HZ   LYS  97          HZ3       LYS  97 -10.118 -13.191   5.369
  795    H    LYS  98           HN       LYS  98  -8.476 -21.640   4.728
  796    HA   LYS  98           HA       LYS  98  -9.303 -22.147   1.952
  797   1HB   LYS  98          HB2       LYS  98  -6.780 -23.041   3.358
  798   2HB   LYS  98          HB1       LYS  98  -7.171 -23.305   1.666
  799   1HG   LYS  98          HG2       LYS  98  -7.243 -20.786   1.421
  800   2HG   LYS  98          HG1       LYS  98  -6.521 -20.700   3.032
  801   1HD   LYS  98          HD2       LYS  98  -4.622 -22.020   2.265
  802   2HD   LYS  98          HD1       LYS  98  -5.344 -22.146   0.659
  803   1HE   LYS  98          HE2       LYS  98  -5.212 -19.731   0.396
  804   2HE   LYS  98          HE1       LYS  98  -4.538 -19.576   2.016
  805   1HZ   LYS  98          HZ1       LYS  98  -2.615 -20.838   1.307
  806   2HZ   LYS  98          HZ2       LYS  98  -2.825 -19.490   0.308
  807   3HZ   LYS  98          HZ3       LYS  98  -3.268 -21.026  -0.242
  808   1H    MET   1          HT1       MET   1  18.211  -3.257  -2.231
  809   2H    MET   1          HT2       MET   1  18.860  -3.392  -3.787
  810   3H    MET   1          HT3       MET   1  19.595  -4.197  -2.494
  811    HA   MET   1           HA       MET   1  18.389  -5.797  -3.734
  812   1HB   MET   1          HB2       MET   1  17.489  -5.008  -1.061
  813   2HB   MET   1          HB1       MET   1  16.382  -6.052  -1.898
  814   1HG   MET   1          HG2       MET   1  18.124  -7.072  -0.333
  815   2HG   MET   1          HG1       MET   1  17.879  -7.823  -1.915
  816   1HE   MET   1          HE1       MET   1  19.957  -8.735  -3.111
  817   2HE   MET   1          HE2       MET   1  20.157  -9.120  -1.404
  818   3HE   MET   1          HE3       MET   1  21.525  -8.517  -2.335
  819    H    ALA   2           HN       ALA   2  16.117  -6.631  -4.090
  820    HA   ALA   2           HA       ALA   2  14.448  -4.495  -5.198
  821   1HB   ALA   2          HB1       ALA   2  13.558  -6.212  -6.766
  822   2HB   ALA   2          HB2       ALA   2  14.788  -7.320  -6.159
  823   3HB   ALA   2          HB3       ALA   2  15.268  -5.847  -6.989
  824    H    ALA   3           HN       ALA   3  12.086  -4.929  -5.161
  825    HA   ALA   3           HA       ALA   3  11.252  -5.862  -2.594
  826   1HB   ALA   3          HB1       ALA   3  10.040  -4.109  -3.786
  827   2HB   ALA   3          HB2       ALA   3   8.987  -5.472  -3.407
  828   3HB   ALA   3          HB3       ALA   3   9.602  -5.262  -5.046
  829    H    GLU   4           HN       GLU   4  11.898  -7.983  -2.376
  830    HA   GLU   4           HA       GLU   4  11.402  -9.966  -4.331
  831   1HB   GLU   4          HB2       GLU   4  13.188 -10.271  -2.735
  832   2HB   GLU   4          HB1       GLU   4  12.070 -10.137  -1.385
  833   1HG   GLU   4          HG2       GLU   4  13.013 -12.465  -2.482
  834   2HG   GLU   4          HG1       GLU   4  11.625 -12.312  -1.411
  835    H    THR   5           HN       THR   5  10.146 -11.009  -1.255
  836    HA   THR   5           HA       THR   5   7.585 -11.379  -2.521
  837    HB   THR   5           HB       THR   5   8.536 -12.146   0.240
  838    HG1  THR   5           HG1      THR   5   9.537 -13.487  -1.117
  839   1HG2  THR   5          HG21      THR   5   6.008 -11.783  -0.077
  840   2HG2  THR   5          HG22      THR   5   6.532 -13.345   0.549
  841   3HG2  THR   5          HG23      THR   5   6.075 -13.184  -1.146
  842    H    LEU   6           HN       LEU   6   7.684 -10.583   0.896
  843    HA   LEU   6           HA       LEU   6   5.855  -8.357   0.332
  844   1HB   LEU   6          HB2       LEU   6   6.278  -9.853   2.921
  845   2HB   LEU   6          HB1       LEU   6   5.038  -8.678   2.587
  846    HG   LEU   6           HG       LEU   6   4.621 -10.603   0.649
  847   1HD1  LEU   6          HD11      LEU   6   4.669 -12.720   1.687
  848   2HD1  LEU   6          HD12      LEU   6   5.034 -12.022   3.265
  849   3HD1  LEU   6          HD13      LEU   6   6.251 -12.003   1.990
  850   1HD2  LEU   6          HD21      LEU   6   2.661 -11.195   2.072
  851   2HD2  LEU   6          HD22      LEU   6   2.855  -9.466   1.784
  852   3HD2  LEU   6          HD23      LEU   6   3.333 -10.161   3.333
  853    H    THR   7           HN       THR   7   6.923  -6.442   0.343
  854    HA   THR   7           HA       THR   7   9.374  -6.071   1.696
  855    HB   THR   7           HB       THR   7   8.408  -3.515   1.423
  856    HG1  THR   7           HG1      THR   7   7.436  -4.861  -0.867
  857   1HG2  THR   7          HG21      THR   7   9.800  -3.328  -0.482
  858   2HG2  THR   7          HG22      THR   7   9.612  -5.034  -0.895
  859   3HG2  THR   7          HG23      THR   7  10.540  -4.562   0.530
  860    H    GLU   8           HN       GLU   8   9.696  -4.404   3.437
  861    HA   GLU   8           HA       GLU   8   8.584  -5.139   5.799
  862   1HB   GLU   8          HB2       GLU   8   9.235  -2.263   5.234
  863   2HB   GLU   8          HB1       GLU   8   9.376  -3.117   6.763
  864   1HG   GLU   8          HG2       GLU   8  11.112  -3.415   4.330
  865   2HG   GLU   8          HG1       GLU   8  11.562  -2.790   5.915
  866    H    LEU   9           HN       LEU   9   7.167  -3.117   3.412
  867    HA   LEU   9           HA       LEU   9   5.263  -1.783   4.938
  868   1HB   LEU   9          HB2       LEU   9   4.527  -2.510   2.175
  869   2HB   LEU   9          HB1       LEU   9   4.412  -0.975   2.995
  870    HG   LEU   9           HG       LEU   9   6.743  -2.176   1.550
  871   1HD1  LEU   9          HD11      LEU   9   6.804   0.300   0.809
  872   2HD1  LEU   9          HD12      LEU   9   5.155   0.341   1.438
  873   3HD1  LEU   9          HD13      LEU   9   5.586  -0.787   0.161
  874   1HD2  LEU   9          HD21      LEU   9   8.309  -1.240   2.807
  875   2HD2  LEU   9          HD22      LEU   9   7.088  -0.967   4.042
  876   3HD2  LEU   9          HD23      LEU   9   7.440   0.283   2.867
  877    H    GLU  10           HN       GLU  10   5.301  -5.084   3.884
  878    HA   GLU  10           HA       GLU  10   2.558  -5.656   3.968
  879   1HB   GLU  10          HB2       GLU  10   3.347  -7.955   4.785
  880   2HB   GLU  10          HB1       GLU  10   3.935  -7.404   3.228
  881   1HG   GLU  10          HG2       GLU  10   6.021  -7.612   3.880
  882   2HG   GLU  10          HG1       GLU  10   5.734  -6.554   5.260
  883    H    ALA  11           HN       ALA  11   4.873  -5.021   6.496
  884    HA   ALA  11           HA       ALA  11   3.356  -5.948   8.688
  885   1HB   ALA  11          HB1       ALA  11   5.827  -5.122   8.586
  886   2HB   ALA  11          HB2       ALA  11   4.884  -4.843  10.047
  887   3HB   ALA  11          HB3       ALA  11   5.121  -3.536   8.888
  888    H    ALA  12           HN       ALA  12   3.313  -3.077   6.734
  889    HA   ALA  12           HA       ALA  12   1.542  -1.588   8.399
  890   1HB   ALA  12          HB1       ALA  12   1.338  -0.077   6.504
  891   2HB   ALA  12          HB2       ALA  12   2.121  -1.259   5.455
  892   3HB   ALA  12          HB3       ALA  12   3.028  -0.508   6.769
  893    H    ILE  13           HN       ILE  13   1.186  -4.045   5.958
  894    HA   ILE  13           HA       ILE  13  -1.462  -3.573   5.247
  895    HB   ILE  13           HB       ILE  13   0.209  -6.048   5.198
  896   1HG1  ILE  13          HG12      ILE  13   0.028  -5.827   2.833
  897   2HG1  ILE  13          HG11      ILE  13  -1.308  -4.692   2.977
  898   1HG2  ILE  13          HG21      ILE  13  -1.629  -7.283   4.117
  899   2HG2  ILE  13          HG22      ILE  13  -2.726  -5.965   4.526
  900   3HG2  ILE  13          HG23      ILE  13  -1.969  -6.911   5.807
  901   1HD1  ILE  13          HD11      ILE  13   1.461  -4.089   3.949
  902   2HD1  ILE  13          HD12      ILE  13   0.123  -2.967   3.723
  903   3HD1  ILE  13          HD13      ILE  13   0.901  -3.709   2.324
  904    H    GLU  14           HN       GLU  14  -0.101  -4.605   8.206
  905    HA   GLU  14           HA       GLU  14  -2.293  -6.063   9.249
  906   1HB   GLU  14          HB2       GLU  14  -0.127  -4.544  10.716
  907   2HB   GLU  14          HB1       GLU  14  -1.202  -5.740  11.427
  908   1HG   GLU  14          HG2       GLU  14   0.846  -6.245   9.280
  909   2HG   GLU  14          HG1       GLU  14   0.987  -6.682  10.983
  910    H    THR  15           HN       THR  15  -1.450  -2.629   9.187
  911    HA   THR  15           HA       THR  15  -3.488  -1.858  10.990
  912    HB   THR  15           HB       THR  15  -1.995  -0.203   8.963
  913    HG1  THR  15           HG1      THR  15  -0.851   0.449  10.946
  914   1HG2  THR  15          HG21      THR  15  -3.576   0.690  11.376
  915   2HG2  THR  15          HG22      THR  15  -4.109   0.837   9.702
  916   3HG2  THR  15          HG23      THR  15  -2.695   1.732  10.259
  917    H    VAL  16           HN       VAL  16  -3.078  -1.572   7.511
  918    HA   VAL  16           HA       VAL  16  -5.495  -0.418   6.807
  919    HB   VAL  16           HB       VAL  16  -3.506  -0.684   5.352
  920   1HG1  VAL  16          HG11      VAL  16  -4.504  -3.495   4.919
  921   2HG1  VAL  16          HG12      VAL  16  -3.150  -3.080   5.963
  922   3HG1  VAL  16          HG13      VAL  16  -3.061  -2.746   4.233
  923   1HG2  VAL  16          HG21      VAL  16  -4.816  -1.253   3.274
  924   2HG2  VAL  16          HG22      VAL  16  -5.488   0.003   4.300
  925   3HG2  VAL  16          HG23      VAL  16  -6.182  -1.610   4.334
  926    H    VAL  17           HN       VAL  17  -4.732  -3.838   7.282
  927    HA   VAL  17           HA       VAL  17  -7.018  -4.921   6.135
  928    HB   VAL  17           HB       VAL  17  -5.164  -6.335   6.711
  929   1HG1  VAL  17          HG11      VAL  17  -4.288  -5.388   8.666
  930   2HG1  VAL  17          HG12      VAL  17  -4.872  -6.978   9.150
  931   3HG1  VAL  17          HG13      VAL  17  -5.816  -5.538   9.530
  932   1HG2  VAL  17          HG21      VAL  17  -7.654  -7.078   8.241
  933   2HG2  VAL  17          HG22      VAL  17  -6.367  -8.194   7.782
  934   3HG2  VAL  17          HG23      VAL  17  -7.333  -7.403   6.537
  935    H    SER  18           HN       SER  18  -6.545  -3.635   9.368
  936    HA   SER  18           HA       SER  18  -9.139  -4.525  10.229
  937   1HB   SER  18          HB2       SER  18  -7.155  -2.657  11.540
  938   2HB   SER  18          HB1       SER  18  -8.626  -3.262  12.301
  939    HG   SER  18           HG       SER  18  -6.228  -4.453  12.070
  940    H    THR  19           HN       THR  19  -7.915  -1.760   8.598
  941    HA   THR  19           HA       THR  19 -10.054  -0.023   9.454
  942    HB   THR  19           HB       THR  19  -9.119   1.642   7.944
  943    HG1  THR  19           HG1      THR  19  -7.455  -0.513   7.128
  944   1HG2  THR  19          HG21      THR  19  -6.989   0.205   9.532
  945   2HG2  THR  19          HG22      THR  19  -8.131   1.386  10.171
  946   3HG2  THR  19          HG23      THR  19  -6.920   1.881   8.988
  947    H    PHE  20           HN       PHE  20  -9.084  -0.413   6.096
  948    HA   PHE  20           HA       PHE  20 -11.807  -0.162   5.255
  949   1HB   PHE  20          HB2       PHE  20 -10.165   1.074   4.070
  950   2HB   PHE  20          HB1       PHE  20  -9.200  -0.372   3.845
  951    HD1  PHE  20           HD1      PHE  20 -12.807  -0.348   3.331
  952    HD2  PHE  20           HD2      PHE  20  -8.992  -0.119   1.508
  953    HE1  PHE  20           HE1      PHE  20 -13.851  -0.717   1.128
  954    HE2  PHE  20           HE2      PHE  20 -10.004  -0.493  -0.696
  955    HZ   PHE  20           HZ       PHE  20 -12.435  -0.802  -0.887
  956    H    PHE  21           HN       PHE  21  -9.501  -2.725   5.402
  957    HA   PHE  21           HA       PHE  21 -11.048  -4.372   3.727
  958   1HB   PHE  21          HB2       PHE  21  -8.798  -5.232   5.539
  959   2HB   PHE  21          HB1       PHE  21  -9.383  -6.065   4.096
  960    HD1  PHE  21           HD1      PHE  21  -6.584  -5.523   4.362
  961    HD2  PHE  21           HD2      PHE  21  -9.662  -2.948   2.904
  962    HE1  PHE  21           HE1      PHE  21  -4.930  -4.253   3.099
  963    HE2  PHE  21           HE2      PHE  21  -7.986  -1.709   1.624
  964    HZ   PHE  21           HZ       PHE  21  -5.618  -2.344   1.711
  965    H    THR  22           HN       THR  22 -11.482  -3.426   6.853
  966    HA   THR  22           HA       THR  22 -12.772  -5.832   7.740
  967    HB   THR  22           HB       THR  22 -13.642  -4.369   9.584
  968    HG1  THR  22           HG1      THR  22 -13.011  -2.428   7.947
  969   1HG2  THR  22          HG21      THR  22 -11.461  -4.119  10.660
  970   2HG2  THR  22          HG22      THR  22 -10.669  -4.307   9.093
  971   3HG2  THR  22          HG23      THR  22 -11.568  -5.652   9.794
  972    H    PHE  23           HN       PHE  23 -13.511  -3.637   5.397
  973    HA   PHE  23           HA       PHE  23 -16.193  -2.988   5.839
  974   1HB   PHE  23          HB2       PHE  23 -14.447  -3.231   3.411
  975   2HB   PHE  23          HB1       PHE  23 -16.164  -2.925   3.231
  976    HD1  PHE  23           HD1      PHE  23 -13.711  -1.735   5.711
  977    HD2  PHE  23           HD2      PHE  23 -16.432  -0.709   2.605
  978    HE1  PHE  23           HE1      PHE  23 -13.409   0.611   6.246
  979    HE2  PHE  23           HE2      PHE  23 -16.113   1.669   3.129
  980    HZ   PHE  23           HZ       PHE  23 -14.597   2.352   4.949
  981    H    ALA  24           HN       ALA  24 -14.651  -5.828   4.469
  982    HA   ALA  24           HA       ALA  24 -16.814  -7.228   3.420
  983   1HB   ALA  24          HB1       ALA  24 -14.320  -7.852   3.683
  984   2HB   ALA  24          HB2       ALA  24 -15.554  -9.117   3.632
  985   3HB   ALA  24          HB3       ALA  24 -14.872  -8.611   5.178
  986    H    GLY  25           HN       GLY  25 -16.016  -6.434   6.711
  987   1HA   GLY  25          HA2       GLY  25 -17.467  -8.209   8.213
  988   2HA   GLY  25          HA1       GLY  25 -17.348  -6.499   8.601
  989    H    ARG  26           HN       ARG  26 -18.784  -5.433   6.411
  990    HA   ARG  26           HA       ARG  26 -21.400  -5.521   7.329
  991   1HB   ARG  26          HB2       ARG  26 -20.725  -3.712   5.904
  992   2HB   ARG  26          HB1       ARG  26 -20.336  -4.815   4.588
  993   1HG   ARG  26          HG2       ARG  26 -22.559  -5.182   4.062
  994   2HG   ARG  26          HG1       ARG  26 -23.125  -4.684   5.656
  995   1HD   ARG  26          HD2       ARG  26 -21.885  -2.823   3.637
  996   2HD   ARG  26          HD1       ARG  26 -23.621  -3.062   3.831
  997    HE   ARG  26           HE       ARG  26 -22.208  -2.302   6.237
  998   1HH1  ARG  26          HH11      ARG  26 -23.985  -1.207   3.443
  999   2HH1  ARG  26          HH12      ARG  26 -24.434   0.302   4.163
 1000   1HH2  ARG  26          HH21      ARG  26 -22.799  -0.319   7.189
 1001   2HH2  ARG  26          HH22      ARG  26 -23.759   0.807   6.289
 1002    H    GLU  27           HN       GLU  27 -19.858  -7.362   4.746
 1003    HA   GLU  27           HA       GLU  27 -22.258  -8.901   4.245
 1004   1HB   GLU  27          HB2       GLU  27 -19.427  -9.181   3.227
 1005   2HB   GLU  27          HB1       GLU  27 -20.748 -10.231   2.731
 1006   1HG   GLU  27          HG2       GLU  27 -20.663  -7.249   2.350
 1007   2HG   GLU  27          HG1       GLU  27 -20.294  -8.449   1.112
 1008    H    GLY  28           HN       GLY  28 -22.828 -10.782   5.103
 1009   1HA   GLY  28          HA2       GLY  28 -21.939 -11.777   7.467
 1010   2HA   GLY  28          HA1       GLY  28 -22.739 -12.767   6.261
 1011    H    ARG  29           HN       ARG  29 -21.289 -13.667   4.537
 1012    HA   ARG  29           HA       ARG  29 -19.486 -15.408   5.541
 1013   1HB   ARG  29          HB2       ARG  29 -20.417 -15.205   3.152
 1014   2HB   ARG  29          HB1       ARG  29 -19.022 -14.184   2.832
 1015   1HG   ARG  29          HG2       ARG  29 -18.336 -16.711   4.120
 1016   2HG   ARG  29          HG1       ARG  29 -19.115 -16.903   2.548
 1017   1HD   ARG  29          HD2       ARG  29 -17.456 -15.299   1.609
 1018   2HD   ARG  29          HD1       ARG  29 -16.643 -15.297   3.170
 1019    HE   ARG  29           HE       ARG  29 -15.824 -17.409   2.741
 1020   1HH1  ARG  29          HH11      ARG  29 -18.142 -16.516   0.288
 1021   2HH1  ARG  29          HH12      ARG  29 -17.706 -17.812  -0.771
 1022   1HH2  ARG  29          HH21      ARG  29 -15.256 -19.117   1.351
 1023   2HH2  ARG  29          HH22      ARG  29 -16.069 -19.290  -0.168
 1024    H    LYS  30           HN       LYS  30 -17.096 -15.569   5.155
 1025    HA   LYS  30           HA       LYS  30 -15.807 -13.107   6.125
 1026   1HB   LYS  30          HB2       LYS  30 -15.625 -15.538   7.175
 1027   2HB   LYS  30          HB1       LYS  30 -14.405 -15.751   5.916
 1028   1HG   LYS  30          HG2       LYS  30 -13.145 -13.874   6.788
 1029   2HG   LYS  30          HG1       LYS  30 -14.379 -13.589   8.017
 1030   1HD   LYS  30          HD2       LYS  30 -12.751 -16.116   7.743
 1031   2HD   LYS  30          HD1       LYS  30 -12.426 -14.820   8.896
 1032   1HE   LYS  30          HE2       LYS  30 -14.954 -16.461   8.760
 1033   2HE   LYS  30          HE1       LYS  30 -13.649 -16.685   9.922
 1034   1HZ   LYS  30          HZ1       LYS  30 -15.449 -15.408  10.880
 1035   2HZ   LYS  30          HZ2       LYS  30 -15.333 -14.255   9.649
 1036   3HZ   LYS  30          HZ3       LYS  30 -14.063 -14.445  10.750
 1037    H    GLY  31           HN       GLY  31 -16.468 -13.083   3.449
 1038   1HA   GLY  31          HA2       GLY  31 -14.010 -13.689   2.000
 1039   2HA   GLY  31          HA1       GLY  31 -15.554 -13.293   1.271
 1040    H    SER  32           HN       SER  32 -16.073 -11.214   0.920
 1041    HA   SER  32           HA       SER  32 -14.320  -9.167   1.993
 1042   1HB   SER  32          HB2       SER  32 -13.574  -8.377  -0.079
 1043   2HB   SER  32          HB1       SER  32 -13.428 -10.116  -0.215
 1044    HG   SER  32           HG       SER  32 -15.062  -8.369  -1.563
 1045    H    LEU  33           HN       LEU  33 -15.122  -7.021   1.704
 1046    HA   LEU  33           HA       LEU  33 -17.991  -7.055   1.076
 1047   1HB   LEU  33          HB2       LEU  33 -17.645  -5.816   3.102
 1048   2HB   LEU  33          HB1       LEU  33 -16.414  -4.823   2.371
 1049    HG   LEU  33           HG       LEU  33 -18.185  -3.919   0.864
 1050   1HD1  LEU  33          HD11      LEU  33 -20.140  -5.258   2.718
 1051   2HD1  LEU  33          HD12      LEU  33 -19.598  -6.048   1.241
 1052   3HD1  LEU  33          HD13      LEU  33 -20.448  -4.503   1.155
 1053   1HD2  LEU  33          HD21      LEU  33 -18.206  -2.325   2.366
 1054   2HD2  LEU  33          HD22      LEU  33 -17.890  -3.460   3.669
 1055   3HD2  LEU  33          HD23      LEU  33 -19.540  -3.157   3.156
 1056    H    ASN  34           HN       ASN  34 -18.768  -5.326  -0.336
 1057    HA   ASN  34           HA       ASN  34 -16.986  -5.190  -2.571
 1058   1HB   ASN  34          HB2       ASN  34 -19.868  -5.441  -2.095
 1059   2HB   ASN  34          HB1       ASN  34 -19.423  -4.508  -3.535
 1060   1HD2  ASN  34          HD21      ASN  34 -20.227  -6.029  -4.958
 1061   2HD2  ASN  34          HD22      ASN  34 -19.493  -7.574  -5.199
 1062    H    ILE  35           HN       ILE  35 -19.693  -3.061  -2.260
 1063    HA   ILE  35           HA       ILE  35 -17.906  -0.897  -1.597
 1064    HB   ILE  35           HB       ILE  35 -19.234   0.435  -3.466
 1065   1HG1  ILE  35          HG12      ILE  35 -19.539  -0.834  -5.463
 1066   2HG1  ILE  35          HG11      ILE  35 -18.766  -2.249  -4.763
 1067   1HG2  ILE  35          HG21      ILE  35 -16.666  -0.235  -2.996
 1068   2HG2  ILE  35          HG22      ILE  35 -17.200   0.708  -4.382
 1069   3HG2  ILE  35          HG23      ILE  35 -16.926  -1.023  -4.551
 1070   1HD1  ILE  35          HD11      ILE  35 -21.080  -1.380  -3.251
 1071   2HD1  ILE  35          HD12      ILE  35 -20.667  -2.970  -3.883
 1072   3HD1  ILE  35          HD13      ILE  35 -21.463  -1.789  -4.920
 1073    H    ASN  36           HN       ASN  36 -20.107  -2.176  -0.215
 1074    HA   ASN  36           HA       ASN  36 -22.216  -0.206  -0.159
 1075   1HB   ASN  36          HB2       ASN  36 -21.624  -2.523   1.711
 1076   2HB   ASN  36          HB1       ASN  36 -23.078  -1.531   1.751
 1077   1HD2  ASN  36          HD21      ASN  36 -24.630  -1.777   0.157
 1078   2HD2  ASN  36          HD22      ASN  36 -24.657  -3.143  -0.901
 1079    H    GLU  37           HN       GLU  37 -20.077  -1.494   2.366
 1080    HA   GLU  37           HA       GLU  37 -20.118   0.905   3.838
 1081   1HB   GLU  37          HB2       GLU  37 -17.909  -1.120   3.783
 1082   2HB   GLU  37          HB1       GLU  37 -18.226   0.059   5.046
 1083   1HG   GLU  37          HG2       GLU  37 -20.399  -1.805   4.336
 1084   2HG   GLU  37          HG1       GLU  37 -18.995  -2.519   5.119
 1085    H    PHE  38           HN       PHE  38 -18.059  -0.221   1.180
 1086    HA   PHE  38           HA       PHE  38 -16.005   1.575   1.286
 1087   1HB   PHE  38          HB2       PHE  38 -16.420  -0.213  -0.443
 1088   2HB   PHE  38          HB1       PHE  38 -17.463   0.945  -1.266
 1089    HD1  PHE  38           HD1      PHE  38 -14.289  -0.384  -1.135
 1090    HD2  PHE  38           HD2      PHE  38 -16.295   3.314  -1.615
 1091    HE1  PHE  38           HE1      PHE  38 -12.294   0.531  -2.263
 1092    HE2  PHE  38           HE2      PHE  38 -14.323   4.249  -2.747
 1093    HZ   PHE  38           HZ       PHE  38 -12.316   2.858  -3.079
 1094    H    LYS  39           HN       LYS  39 -19.343   2.136   0.516
 1095    HA   LYS  39           HA       LYS  39 -19.214   4.642  -0.671
 1096   1HB   LYS  39          HB2       LYS  39 -21.278   3.645   1.284
 1097   2HB   LYS  39          HB1       LYS  39 -21.502   4.972   0.147
 1098   1HG   LYS  39          HG2       LYS  39 -20.584   2.624  -1.181
 1099   2HG   LYS  39          HG1       LYS  39 -22.034   2.264  -0.249
 1100   1HD   LYS  39          HD2       LYS  39 -21.743   4.498  -2.260
 1101   2HD   LYS  39          HD1       LYS  39 -22.569   2.963  -2.541
 1102   1HE   LYS  39          HE2       LYS  39 -24.117   3.502  -0.692
 1103   2HE   LYS  39          HE1       LYS  39 -23.327   5.069  -0.521
 1104   1HZ   LYS  39          HZ1       LYS  39 -25.341   5.234  -1.840
 1105   2HZ   LYS  39          HZ2       LYS  39 -24.743   4.103  -2.948
 1106   3HZ   LYS  39          HZ3       LYS  39 -23.985   5.606  -2.783
 1107    H    GLU  40           HN       GLU  40 -18.548   3.701   2.528
 1108    HA   GLU  40           HA       GLU  40 -18.713   6.301   3.709
 1109   1HB   GLU  40          HB2       GLU  40 -18.225   5.259   5.725
 1110   2HB   GLU  40          HB1       GLU  40 -18.986   3.950   4.833
 1111   1HG   GLU  40          HG2       GLU  40 -16.931   2.843   4.492
 1112   2HG   GLU  40          HG1       GLU  40 -15.994   4.274   4.936
 1113    H    LEU  41           HN       LEU  41 -16.658   5.059   1.482
 1114    HA   LEU  41           HA       LEU  41 -14.149   5.854   2.584
 1115   1HB   LEU  41          HB2       LEU  41 -15.016   4.979  -0.151
 1116   2HB   LEU  41          HB1       LEU  41 -13.365   5.361   0.222
 1117    HG   LEU  41           HG       LEU  41 -14.856   2.919   0.594
 1118   1HD1  LEU  41          HD11      LEU  41 -12.820   1.942   0.235
 1119   2HD1  LEU  41          HD12      LEU  41 -11.940   3.192   1.115
 1120   3HD1  LEU  41          HD13      LEU  41 -12.551   3.521  -0.504
 1121   1HD2  LEU  41          HD21      LEU  41 -13.392   4.018   2.990
 1122   2HD2  LEU  41          HD22      LEU  41 -13.713   2.301   2.755
 1123   3HD2  LEU  41          HD23      LEU  41 -15.054   3.434   2.911
 1124    H    ALA  42           HN       ALA  42 -15.137   6.744  -0.663
 1125    HA   ALA  42           HA       ALA  42 -13.870   9.170  -0.725
 1126   1HB   ALA  42          HB1       ALA  42 -15.926   9.681  -2.358
 1127   2HB   ALA  42          HB2       ALA  42 -15.995   7.918  -2.271
 1128   3HB   ALA  42          HB3       ALA  42 -14.516   8.723  -2.797
 1129    H    THR  43           HN       THR  43 -16.915   8.383   0.719
 1130    HA   THR  43           HA       THR  43 -18.023  10.934   0.880
 1131    HB   THR  43           HB       THR  43 -19.176  10.008   2.983
 1132    HG1  THR  43           HG1      THR  43 -17.997   7.576   2.065
 1133   1HG2  THR  43          HG21      THR  43 -19.407   8.502   0.374
 1134   2HG2  THR  43          HG22      THR  43 -20.218  10.017   0.772
 1135   3HG2  THR  43          HG23      THR  43 -20.624   8.542   1.650
 1136    H    GLN  44           HN       GLN  44 -16.203   9.164   3.368
 1137    HA   GLN  44           HA       GLN  44 -15.735  11.570   4.923
 1138   1HB   GLN  44          HB2       GLN  44 -14.829   8.688   5.175
 1139   2HB   GLN  44          HB1       GLN  44 -14.356   9.954   6.317
 1140   1HG   GLN  44          HG2       GLN  44 -16.761  10.339   6.799
 1141   2HG   GLN  44          HG1       GLN  44 -17.147   8.971   5.756
 1142   1HE2  GLN  44          HE21      GLN  44 -16.614   6.886   6.426
 1143   2HE2  GLN  44          HE22      GLN  44 -16.250   6.520   8.074
 1144    H    GLN  45           HN       GLN  45 -14.041   9.523   2.683
 1145    HA   GLN  45           HA       GLN  45 -11.453  10.547   3.079
 1146   1HB   GLN  45          HB2       GLN  45 -12.763   9.245   0.711
 1147   2HB   GLN  45          HB1       GLN  45 -11.030   9.511   0.865
 1148   1HG   GLN  45          HG2       GLN  45 -10.996   8.089   2.840
 1149   2HG   GLN  45          HG1       GLN  45 -12.743   7.868   2.715
 1150   1HE2  GLN  45          HE21      GLN  45 -10.851   7.923  -0.202
 1151   2HE2  GLN  45          HE22      GLN  45 -10.982   6.238  -0.521
 1152    H    LEU  46           HN       LEU  46 -14.270  11.565   1.281
 1153    HA   LEU  46           HA       LEU  46 -13.404  13.398  -0.495
 1154   1HB   LEU  46          HB2       LEU  46 -15.791  13.190   1.189
 1155   2HB   LEU  46          HB1       LEU  46 -15.394  14.841   0.785
 1156    HG   LEU  46           HG       LEU  46 -16.042  12.612  -1.141
 1157   1HD1  LEU  46          HD11      LEU  46 -17.976  13.570  -0.067
 1158   2HD1  LEU  46          HD12      LEU  46 -17.900  14.102  -1.747
 1159   3HD1  LEU  46          HD13      LEU  46 -17.418  15.198  -0.451
 1160   1HD2  LEU  46          HD21      LEU  46 -14.283  13.929  -2.122
 1161   2HD2  LEU  46          HD22      LEU  46 -15.104  15.424  -1.680
 1162   3HD2  LEU  46          HD23      LEU  46 -15.813  14.352  -2.888
 1163    HA   PRO  47           HA       PRO  47 -12.345  16.707   2.593
 1164   1HB   PRO  47          HB2       PRO  47 -13.172  16.738   5.131
 1165   2HB   PRO  47          HB1       PRO  47 -14.255  17.240   3.826
 1166   1HG   PRO  47          HG2       PRO  47 -14.117  14.626   5.283
 1167   2HG   PRO  47          HG1       PRO  47 -15.545  15.569   4.818
 1168   1HD   PRO  47          HD2       PRO  47 -14.618  13.415   3.399
 1169   2HD   PRO  47          HD1       PRO  47 -15.538  14.754   2.684
 1170    H    HIS  48           HN       HIS  48 -10.476  15.620   2.287
 1171    HA   HIS  48           HA       HIS  48  -9.268  14.314   4.581
 1172   1HB   HIS  48          HB2       HIS  48  -9.051  14.191   1.725
 1173   2HB   HIS  48          HB1       HIS  48  -7.453  14.419   2.460
 1174    HD1  HIS  48           HD1      HIS  48  -9.850  11.850   1.663
 1175    HD2  HIS  48           HD2      HIS  48  -6.998  12.409   4.626
 1176    HE1  HIS  48           HE1      HIS  48  -9.528   9.597   2.711
 1177    HE2  HIS  48           HE2      HIS  48  -7.850   9.968   4.553
 1178    H    LEU  49           HN       LEU  49  -6.629  15.002   4.106
 1179    HA   LEU  49           HA       LEU  49  -6.562  17.740   5.014
 1180   1HB   LEU  49          HB2       LEU  49  -4.388  15.704   4.476
 1181   2HB   LEU  49          HB1       LEU  49  -4.047  17.349   4.977
 1182    HG   LEU  49           HG       LEU  49  -5.345  16.931   7.064
 1183   1HD1  LEU  49          HD11      LEU  49  -5.388  14.102   6.029
 1184   2HD1  LEU  49          HD12      LEU  49  -6.782  15.146   6.308
 1185   3HD1  LEU  49          HD13      LEU  49  -5.812  14.588   7.670
 1186   1HD2  LEU  49          HD21      LEU  49  -3.024  15.080   6.527
 1187   2HD2  LEU  49          HD22      LEU  49  -3.628  15.528   8.123
 1188   3HD2  LEU  49          HD23      LEU  49  -2.926  16.756   7.069
 1189    H    LEU  50           HN       LEU  50  -4.460  16.207   2.606
 1190    HA   LEU  50           HA       LEU  50  -4.711  18.505   0.840
 1191   1HB   LEU  50          HB2       LEU  50  -2.509  17.398   1.322
 1192   2HB   LEU  50          HB1       LEU  50  -3.092  15.979   0.473
 1193    HG   LEU  50           HG       LEU  50  -3.297  17.317  -1.594
 1194   1HD1  LEU  50          HD11      LEU  50  -2.023  19.493   0.061
 1195   2HD1  LEU  50          HD12      LEU  50  -3.659  19.505  -0.599
 1196   3HD1  LEU  50          HD13      LEU  50  -2.269  19.540  -1.685
 1197   1HD2  LEU  50          HD21      LEU  50  -0.891  17.541  -2.017
 1198   2HD2  LEU  50          HD22      LEU  50  -1.274  16.035  -1.183
 1199   3HD2  LEU  50          HD23      LEU  50  -0.578  17.388  -0.288
 1200    H    LYS  51           HN       LYS  51  -7.145  17.289   1.042
 1201    HA   LYS  51           HA       LYS  51  -7.890  15.138  -0.328
 1202   1HB   LYS  51          HB2       LYS  51  -9.518  16.433   0.802
 1203   2HB   LYS  51          HB1       LYS  51  -9.251  17.818  -0.242
 1204   1HG   LYS  51          HG2       LYS  51 -10.114  16.380  -2.124
 1205   2HG   LYS  51          HG1       LYS  51 -10.633  15.206  -0.910
 1206   1HD   LYS  51          HD2       LYS  51 -11.712  17.887  -1.644
 1207   2HD   LYS  51          HD1       LYS  51 -12.561  16.422  -1.165
 1208   1HE   LYS  51          HE2       LYS  51 -12.937  17.492   0.765
 1209   2HE   LYS  51          HE1       LYS  51 -11.259  17.115   1.133
 1210   1HZ   LYS  51          HZ1       LYS  51 -12.193  19.623  -0.145
 1211   2HZ   LYS  51          HZ2       LYS  51 -10.592  19.250   0.252
 1212   3HZ   LYS  51          HZ3       LYS  51 -11.739  19.457   1.477
 1213    H    ASP  52           HN       ASP  52  -8.876  14.778  -2.405
 1214    HA   ASP  52           HA       ASP  52  -7.405  16.163  -4.548
 1215   1HB   ASP  52          HB2       ASP  52  -8.506  13.343  -4.404
 1216   2HB   ASP  52          HB1       ASP  52  -7.944  14.082  -5.901
 1217    H    VAL  53           HN       VAL  53 -10.506  15.045  -3.395
 1218    HA   VAL  53           HA       VAL  53 -12.509  16.109  -3.655
 1219    HB   VAL  53           HB       VAL  53 -11.203  17.938  -4.951
 1220   1HG1  VAL  53          HG11      VAL  53 -11.271  16.398  -7.086
 1221   2HG1  VAL  53          HG12      VAL  53 -11.445  18.145  -7.223
 1222   3HG1  VAL  53          HG13      VAL  53 -12.871  17.112  -7.272
 1223   1HG2  VAL  53          HG21      VAL  53 -14.158  17.471  -5.219
 1224   2HG2  VAL  53          HG22      VAL  53 -13.356  19.019  -5.481
 1225   3HG2  VAL  53          HG23      VAL  53 -13.323  18.269  -3.885
 1226    H    GLY  54           HN       GLY  54 -13.052  14.032  -3.604
 1227   1HA   GLY  54          HA2       GLY  54 -13.299  12.402  -5.930
 1228   2HA   GLY  54          HA1       GLY  54 -14.011  12.074  -4.357
 1229    H    SER  55           HN       SER  55 -14.533  13.233  -7.542
 1230    HA   SER  55           HA       SER  55 -17.004  14.543  -7.198
 1231   1HB   SER  55          HB2       SER  55 -15.481  14.576  -9.220
 1232   2HB   SER  55          HB1       SER  55 -16.137  12.993  -9.640
 1233    HG   SER  55           HG       SER  55 -17.428  14.395 -10.697
 1234    H    LEU  56           HN       LEU  56 -18.960  13.769  -6.765
 1235    HA   LEU  56           HA       LEU  56 -19.569  11.365  -5.757
 1236   1HB   LEU  56          HB2       LEU  56 -21.443  12.928  -7.527
 1237   2HB   LEU  56          HB1       LEU  56 -21.908  11.762  -6.303
 1238    HG   LEU  56           HG       LEU  56 -20.571  14.425  -5.814
 1239   1HD1  LEU  56          HD11      LEU  56 -22.673  15.017  -4.739
 1240   2HD1  LEU  56          HD12      LEU  56 -23.344  13.440  -5.155
 1241   3HD1  LEU  56          HD13      LEU  56 -22.931  14.588  -6.430
 1242   1HD2  LEU  56          HD21      LEU  56 -19.809  12.723  -4.225
 1243   2HD2  LEU  56          HD22      LEU  56 -21.486  12.338  -3.838
 1244   3HD2  LEU  56          HD23      LEU  56 -20.834  13.929  -3.447
 1245    H    ASP  57           HN       ASP  57 -19.933  12.083  -9.243
 1246    HA   ASP  57           HA       ASP  57 -20.959   9.658 -10.042
 1247   1HB   ASP  57          HB2       ASP  57 -19.510  10.070 -12.160
 1248   2HB   ASP  57          HB1       ASP  57 -20.884  11.122 -11.809
 1249    H    GLU  58           HN       GLU  58 -17.625  10.564  -9.898
 1250    HA   GLU  58           HA       GLU  58 -16.410   8.242 -10.757
 1251   1HB   GLU  58          HB2       GLU  58 -15.548  10.321  -8.757
 1252   2HB   GLU  58          HB1       GLU  58 -14.518   8.949  -9.151
 1253   1HG   GLU  58          HG2       GLU  58 -14.620   9.631 -11.534
 1254   2HG   GLU  58          HG1       GLU  58 -15.507  11.071 -11.038
 1255    H    LYS  59           HN       LYS  59 -17.774   9.077  -7.673
 1256    HA   LYS  59           HA       LYS  59 -16.869   6.721  -6.380
 1257   1HB   LYS  59          HB2       LYS  59 -18.818   8.857  -5.614
 1258   2HB   LYS  59          HB1       LYS  59 -18.505   7.460  -4.589
 1259   1HG   LYS  59          HG2       LYS  59 -17.000   8.903  -3.713
 1260   2HG   LYS  59          HG1       LYS  59 -16.003   8.199  -4.963
 1261   1HD   LYS  59          HD2       LYS  59 -17.536  10.451  -5.929
 1262   2HD   LYS  59          HD1       LYS  59 -16.455  10.883  -4.601
 1263   1HE   LYS  59          HE2       LYS  59 -15.606   9.334  -7.045
 1264   2HE   LYS  59          HE1       LYS  59 -15.407  11.072  -6.863
 1265   1HZ   LYS  59          HZ1       LYS  59 -13.911   8.909  -5.654
 1266   2HZ   LYS  59          HZ2       LYS  59 -14.276  10.187  -4.617
 1267   3HZ   LYS  59          HZ3       LYS  59 -13.420  10.477  -6.045
 1268    H    MET  60           HN       MET  60 -19.570   7.561  -8.298
 1269    HA   MET  60           HA       MET  60 -21.185   5.322  -7.443
 1270   1HB   MET  60          HB2       MET  60 -21.469   7.275  -9.744
 1271   2HB   MET  60          HB1       MET  60 -22.658   6.038  -9.338
 1272   1HG   MET  60          HG2       MET  60 -21.796   8.312  -7.564
 1273   2HG   MET  60          HG1       MET  60 -23.304   8.217  -8.474
 1274   1HE   MET  60          HE1       MET  60 -24.693   8.713  -6.251
 1275   2HE   MET  60          HE2       MET  60 -23.173   8.839  -5.368
 1276   3HE   MET  60          HE3       MET  60 -24.471   7.816  -4.750
 1277    H    LYS  61           HN       LYS  61 -18.863   6.024  -9.937
 1278    HA   LYS  61           HA       LYS  61 -19.526   3.735 -11.584
 1279   1HB   LYS  61          HB2       LYS  61 -16.899   4.939 -12.039
 1280   2HB   LYS  61          HB1       LYS  61 -18.214   4.650 -13.162
 1281   1HG   LYS  61          HG2       LYS  61 -19.331   6.692 -12.165
 1282   2HG   LYS  61          HG1       LYS  61 -17.788   7.007 -11.363
 1283   1HD   LYS  61          HD2       LYS  61 -18.180   6.717 -14.342
 1284   2HD   LYS  61          HD1       LYS  61 -18.017   8.248 -13.482
 1285   1HE   LYS  61          HE2       LYS  61 -15.785   7.577 -12.724
 1286   2HE   LYS  61          HE1       LYS  61 -15.950   6.053 -13.594
 1287   1HZ   LYS  61          HZ1       LYS  61 -14.664   7.672 -14.851
 1288   2HZ   LYS  61          HZ2       LYS  61 -15.966   8.752 -14.836
 1289   3HZ   LYS  61          HZ3       LYS  61 -16.097   7.282 -15.662
 1290    H    THR  62           HN       THR  62 -16.441   4.697 -10.141
 1291    HA   THR  62           HA       THR  62 -15.158   2.294 -10.259
 1292    HB   THR  62           HB       THR  62 -14.925   4.239  -7.965
 1293    HG1  THR  62           HG1      THR  62 -14.630   5.273  -9.981
 1294   1HG2  THR  62          HG21      THR  62 -12.619   3.401  -7.813
 1295   2HG2  THR  62          HG22      THR  62 -12.970   2.234  -9.089
 1296   3HG2  THR  62          HG23      THR  62 -13.799   2.120  -7.537
 1297    H    LEU  63           HN       LEU  63 -17.696   3.255  -8.134
 1298    HA   LEU  63           HA       LEU  63 -17.675   1.681  -5.974
 1299   1HB   LEU  63          HB2       LEU  63 -19.480   3.183  -6.639
 1300   2HB   LEU  63          HB1       LEU  63 -19.983   2.063  -7.882
 1301    HG   LEU  63           HG       LEU  63 -19.936   1.051  -5.111
 1302   1HD1  LEU  63          HD11      LEU  63 -20.883   3.289  -4.830
 1303   2HD1  LEU  63          HD12      LEU  63 -22.097   2.035  -4.588
 1304   3HD1  LEU  63          HD13      LEU  63 -22.057   2.943  -6.099
 1305   1HD2  LEU  63          HD21      LEU  63 -20.613  -0.354  -7.006
 1306   2HD2  LEU  63          HD22      LEU  63 -21.905   0.788  -7.375
 1307   3HD2  LEU  63          HD23      LEU  63 -21.933  -0.116  -5.861
 1308    H    ASP  64           HN       ASP  64 -19.071   0.530  -9.048
 1309    HA   ASP  64           HA       ASP  64 -19.249  -2.164  -8.227
 1310   1HB   ASP  64          HB2       ASP  64 -19.277  -0.830 -10.934
 1311   2HB   ASP  64          HB1       ASP  64 -19.447  -2.576 -10.748
 1312    H    VAL  65           HN       VAL  65 -16.622  -0.271  -9.393
 1313    HA   VAL  65           HA       VAL  65 -15.044  -2.480 -10.340
 1314    HB   VAL  65           HB       VAL  65 -14.225   0.365  -9.740
 1315   1HG1  VAL  65          HG11      VAL  65 -12.801  -1.806 -11.277
 1316   2HG1  VAL  65          HG12      VAL  65 -12.314  -1.134  -9.721
 1317   3HG1  VAL  65          HG13      VAL  65 -12.284  -0.124 -11.166
 1318   1HG2  VAL  65          HG21      VAL  65 -14.381   0.691 -12.165
 1319   2HG2  VAL  65          HG22      VAL  65 -15.937   0.247 -11.466
 1320   3HG2  VAL  65          HG23      VAL  65 -14.989  -0.954 -12.343
 1321    H    ASN  66           HN       ASN  66 -14.449  -0.131  -7.708
 1322    HA   ASN  66           HA       ASN  66 -12.564  -1.913  -6.468
 1323   1HB   ASN  66          HB2       ASN  66 -13.614   0.816  -5.775
 1324   2HB   ASN  66          HB1       ASN  66 -12.586  -0.087  -4.666
 1325   1HD2  ASN  66          HD21      ASN  66 -10.798  -1.264  -6.410
 1326   2HD2  ASN  66          HD22      ASN  66  -9.857  -0.037  -7.175
 1327    H    GLN  67           HN       GLN  67 -15.004  -3.252  -6.459
 1328    HA   GLN  67           HA       GLN  67 -16.292  -2.818  -3.953
 1329   1HB   GLN  67          HB2       GLN  67 -17.052  -5.318  -4.462
 1330   2HB   GLN  67          HB1       GLN  67 -17.842  -3.920  -5.148
 1331   1HG   GLN  67          HG2       GLN  67 -17.647  -5.466  -6.835
 1332   2HG   GLN  67          HG1       GLN  67 -16.388  -4.286  -7.187
 1333   1HE2  GLN  67          HE21      GLN  67 -14.326  -5.023  -7.424
 1334   2HE2  GLN  67          HE22      GLN  67 -13.808  -6.645  -7.088
 1335    H    ASP  68           HN       ASP  68 -14.031  -5.219  -5.140
 1336    HA   ASP  68           HA       ASP  68 -13.859  -6.435  -2.554
 1337   1HB   ASP  68          HB2       ASP  68 -12.548  -7.028  -5.191
 1338   2HB   ASP  68          HB1       ASP  68 -12.155  -7.876  -3.702
 1339    H    SER  69           HN       SER  69 -12.734  -3.615  -3.610
 1340    HA   SER  69           HA       SER  69  -9.984  -3.632  -3.216
 1341   1HB   SER  69          HB2       SER  69 -12.067  -1.505  -2.648
 1342   2HB   SER  69          HB1       SER  69 -10.341  -1.215  -2.437
 1343    HG   SER  69           HG       SER  69 -10.195  -1.996  -4.707
 1344    H    GLU  70           HN       GLU  70 -12.592  -4.057  -1.040
 1345    HA   GLU  70           HA       GLU  70 -10.843  -4.161   1.325
 1346   1HB   GLU  70          HB2       GLU  70 -13.011  -4.468   2.515
 1347   2HB   GLU  70          HB1       GLU  70 -12.944  -2.935   1.654
 1348   1HG   GLU  70          HG2       GLU  70 -13.975  -4.822  -0.120
 1349   2HG   GLU  70          HG1       GLU  70 -14.771  -5.093   1.422
 1350    H    LEU  71           HN       LEU  71 -10.125  -6.302   1.738
 1351    HA   LEU  71           HA       LEU  71 -11.992  -8.392   0.976
 1352   1HB   LEU  71          HB2       LEU  71 -10.612  -8.093  -0.843
 1353   2HB   LEU  71          HB1       LEU  71  -9.177  -7.953   0.147
 1354    HG   LEU  71           HG       LEU  71  -9.388  -9.974  -1.146
 1355   1HD1  LEU  71          HD11      LEU  71  -9.252 -11.441   1.168
 1356   2HD1  LEU  71          HD12      LEU  71  -8.623  -9.863   1.560
 1357   3HD1  LEU  71          HD13      LEU  71  -7.928 -10.787   0.240
 1358   1HD2  LEU  71          HD21      LEU  71 -11.563 -10.532  -1.236
 1359   2HD2  LEU  71          HD22      LEU  71 -11.738 -10.394   0.492
 1360   3HD2  LEU  71          HD23      LEU  71 -10.862 -11.751  -0.188
 1361    H    ARG  72           HN       ARG  72 -12.031 -10.220   2.154
 1362    HA   ARG  72           HA       ARG  72 -10.082 -10.483   4.314
 1363   1HB   ARG  72          HB2       ARG  72 -12.596 -12.063   4.256
 1364   2HB   ARG  72          HB1       ARG  72 -11.687 -11.481   5.643
 1365   1HG   ARG  72          HG2       ARG  72 -13.710 -10.129   3.969
 1366   2HG   ARG  72          HG1       ARG  72 -13.617 -10.262   5.717
 1367   1HD   ARG  72          HD2       ARG  72 -12.389  -8.278   3.884
 1368   2HD   ARG  72          HD1       ARG  72 -13.017  -8.100   5.522
 1369    HE   ARG  72           HE       ARG  72 -10.307  -8.527   4.838
 1370   1HH1  ARG  72          HH11      ARG  72 -12.708  -9.392   7.210
 1371   2HH1  ARG  72          HH12      ARG  72 -11.553  -9.644   8.477
 1372   1HH2  ARG  72          HH21      ARG  72  -8.777  -8.858   6.501
 1373   2HH2  ARG  72          HH22      ARG  72  -9.320  -9.341   8.075
 1374    H    PHE  73           HN       PHE  73 -11.581 -12.000   1.558
 1375    HA   PHE  73           HA       PHE  73 -10.151 -14.443   2.053
 1376   1HB   PHE  73          HB2       PHE  73 -11.594 -15.547   0.543
 1377   2HB   PHE  73          HB1       PHE  73 -12.553 -14.550   1.564
 1378    HD1  PHE  73           HD1      PHE  73 -12.969 -12.053   0.350
 1379    HD2  PHE  73           HD2      PHE  73 -12.299 -15.773  -1.590
 1380    HE1  PHE  73           HE1      PHE  73 -14.068 -11.186  -1.625
 1381    HE2  PHE  73           HE2      PHE  73 -13.417 -14.908  -3.598
 1382    HZ   PHE  73           HZ       PHE  73 -14.310 -12.614  -3.626
 1383    H    SER  74           HN       SER  74 -10.577 -13.501  -1.424
 1384    HA   SER  74           HA       SER  74  -7.650 -13.648  -1.505
 1385   1HB   SER  74          HB2       SER  74  -8.203 -14.631  -3.951
 1386   2HB   SER  74          HB1       SER  74  -7.894 -15.640  -2.543
 1387    HG   SER  74           HG       SER  74  -9.836 -16.176  -3.719
 1388    H    GLU  75           HN       GLU  75 -10.211 -11.761  -2.218
 1389    HA   GLU  75           HA       GLU  75  -9.236 -10.708  -4.708
 1390   1HB   GLU  75          HB2       GLU  75 -11.314  -9.635  -2.818
 1391   2HB   GLU  75          HB1       GLU  75 -11.075  -9.154  -4.494
 1392   1HG   GLU  75          HG2       GLU  75 -11.823 -11.924  -3.617
 1393   2HG   GLU  75          HG1       GLU  75 -12.978 -10.698  -4.135
 1394    H    TYR  76           HN       TYR  76  -7.617 -10.597  -2.081
 1395    HA   TYR  76           HA       TYR  76  -7.390  -8.016  -1.242
 1396   1HB   TYR  76          HB2       TYR  76  -5.836 -10.460  -0.953
 1397   2HB   TYR  76          HB1       TYR  76  -4.834  -9.016  -0.892
 1398    HD1  TYR  76           HD1      TYR  76  -7.327  -7.464   0.415
 1399    HD2  TYR  76           HD2      TYR  76  -5.156 -10.986   1.337
 1400    HE1  TYR  76           HE1      TYR  76  -7.984  -7.217   2.727
 1401    HE2  TYR  76           HE2      TYR  76  -5.793 -10.748   3.698
 1402    HH   TYR  76           HH       TYR  76  -6.498  -8.952   5.246
 1403    H    TRP  77           HN       TRP  77  -6.207  -9.540  -4.067
 1404    HA   TRP  77           HA       TRP  77  -4.173  -7.712  -4.776
 1405   1HB   TRP  77          HB2       TRP  77  -4.639  -8.398  -7.101
 1406   2HB   TRP  77          HB1       TRP  77  -4.621  -9.801  -6.030
 1407    HD1  TRP  77           HD1      TRP  77  -7.303  -7.342  -7.345
 1408    HE1  TRP  77           HE1      TRP  77  -9.405  -8.691  -7.881
 1409    HE3  TRP  77           HE3      TRP  77  -5.689 -11.958  -5.911
 1410    HZ2  TRP  77           HZ2      TRP  77 -10.296 -11.377  -7.703
 1411    HZ3  TRP  77           HZ3      TRP  77  -7.223 -13.865  -6.101
 1412    HH2  TRP  77           HH2      TRP  77  -9.479 -13.576  -6.968
 1413    H    ARG  78           HN       ARG  78  -7.574  -7.301  -4.414
 1414    HA   ARG  78           HA       ARG  78  -7.917  -5.137  -6.138
 1415   1HB   ARG  78          HB2       ARG  78  -9.484  -6.052  -3.729
 1416   2HB   ARG  78          HB1       ARG  78 -10.035  -4.799  -4.848
 1417   1HG   ARG  78          HG2       ARG  78  -9.231  -7.378  -6.018
 1418   2HG   ARG  78          HG1       ARG  78 -10.690  -7.370  -5.057
 1419   1HD   ARG  78          HD2       ARG  78 -11.260  -6.986  -7.361
 1420   2HD   ARG  78          HD1       ARG  78 -11.547  -5.507  -6.445
 1421    HE   ARG  78           HE       ARG  78  -8.956  -5.634  -7.690
 1422   1HH1  ARG  78          HH11      ARG  78 -12.298  -4.748  -8.097
 1423   2HH1  ARG  78          HH12      ARG  78 -11.977  -3.612  -9.365
 1424   1HH2  ARG  78          HH21      ARG  78  -8.521  -4.140  -9.358
 1425   2HH2  ARG  78          HH22      ARG  78  -9.829  -3.266 -10.081
 1426    H    LEU  79           HN       LEU  79  -6.852  -5.428  -2.798
 1427    HA   LEU  79           HA       LEU  79  -6.973  -2.622  -2.273
 1428   1HB   LEU  79          HB2       LEU  79  -4.950  -3.992  -0.751
 1429   2HB   LEU  79          HB1       LEU  79  -6.359  -3.142  -0.176
 1430    HG   LEU  79           HG       LEU  79  -6.546  -5.991  -1.119
 1431   1HD1  LEU  79          HD11      LEU  79  -6.269  -5.935   1.664
 1432   2HD1  LEU  79          HD12      LEU  79  -4.928  -4.991   1.017
 1433   3HD1  LEU  79          HD13      LEU  79  -5.178  -6.654   0.483
 1434   1HD2  LEU  79          HD21      LEU  79  -8.194  -5.861   0.910
 1435   2HD2  LEU  79          HD22      LEU  79  -8.676  -5.263  -0.676
 1436   3HD2  LEU  79          HD23      LEU  79  -8.138  -4.143   0.562
 1437    H    ILE  80           HN       ILE  80  -4.901  -4.695  -3.984
 1438    HA   ILE  80           HA       ILE  80  -2.391  -3.814  -3.699
 1439    HB   ILE  80           HB       ILE  80  -3.449  -5.518  -5.374
 1440   1HG1  ILE  80          HG12      ILE  80  -1.039  -3.879  -6.221
 1441   2HG1  ILE  80          HG11      ILE  80  -1.014  -5.110  -4.962
 1442   1HG2  ILE  80          HG21      ILE  80  -3.195  -3.094  -7.161
 1443   2HG2  ILE  80          HG22      ILE  80  -4.696  -3.892  -6.700
 1444   3HG2  ILE  80          HG23      ILE  80  -3.512  -4.746  -7.685
 1445   1HD1  ILE  80          HD11      ILE  80  -1.613  -6.804  -6.595
 1446   2HD1  ILE  80          HD12      ILE  80  -0.151  -5.945  -7.082
 1447   3HD1  ILE  80          HD13      ILE  80  -1.691  -5.575  -7.856
 1448    H    GLY  81           HN       GLY  81  -4.778  -2.184  -5.820
 1449   1HA   GLY  81          HA2       GLY  81  -2.971   0.044  -6.232
 1450   2HA   GLY  81          HA1       GLY  81  -4.592  -0.123  -6.888
 1451    H    GLU  82           HN       GLU  82  -5.066  -0.786  -3.751
 1452    HA   GLU  82           HA       GLU  82  -6.148   1.822  -3.206
 1453   1HB   GLU  82          HB2       GLU  82  -6.026  -0.633  -1.524
 1454   2HB   GLU  82          HB1       GLU  82  -6.998   0.782  -1.169
 1455   1HG   GLU  82          HG2       GLU  82  -7.344  -1.053  -3.537
 1456   2HG   GLU  82          HG1       GLU  82  -8.356  -1.012  -2.094
 1457    H    LEU  83           HN       LEU  83  -4.006  -0.348  -1.411
 1458    HA   LEU  83           HA       LEU  83  -3.255   1.392   0.583
 1459   1HB   LEU  83          HB2       LEU  83  -2.242  -1.090  -0.545
 1460   2HB   LEU  83          HB1       LEU  83  -0.955  -0.060   0.048
 1461    HG   LEU  83           HG       LEU  83  -3.331  -0.955   1.678
 1462   1HD1  LEU  83          HD11      LEU  83  -1.833  -2.809   1.140
 1463   2HD1  LEU  83          HD12      LEU  83  -1.738  -2.383   2.849
 1464   3HD1  LEU  83          HD13      LEU  83  -0.460  -1.880   1.742
 1465   1HD2  LEU  83          HD21      LEU  83  -2.093  -0.033   3.566
 1466   2HD2  LEU  83          HD22      LEU  83  -2.446   1.214   2.369
 1467   3HD2  LEU  83          HD23      LEU  83  -0.826   0.524   2.474
 1468    H    ALA  84           HN       ALA  84  -2.368   1.277  -2.743
 1469    HA   ALA  84           HA       ALA  84  -0.120   3.040  -2.403
 1470   1HB   ALA  84          HB1       ALA  84   0.078   2.999  -4.785
 1471   2HB   ALA  84          HB2       ALA  84  -1.542   2.326  -4.950
 1472   3HB   ALA  84          HB3       ALA  84  -0.256   1.364  -4.221
 1473    H    LYS  85           HN       LYS  85  -3.515   3.375  -3.236
 1474    HA   LYS  85           HA       LYS  85  -3.425   5.988  -4.201
 1475   1HB   LYS  85          HB2       LYS  85  -5.560   4.292  -3.063
 1476   2HB   LYS  85          HB1       LYS  85  -5.868   6.017  -3.223
 1477   1HG   LYS  85          HG2       LYS  85  -5.310   5.894  -5.606
 1478   2HG   LYS  85          HG1       LYS  85  -5.023   4.163  -5.443
 1479   1HD   LYS  85          HD2       LYS  85  -7.645   5.522  -4.854
 1480   2HD   LYS  85          HD1       LYS  85  -7.252   4.730  -6.381
 1481   1HE   LYS  85          HE2       LYS  85  -7.158   3.357  -3.706
 1482   2HE   LYS  85          HE1       LYS  85  -8.566   3.328  -4.769
 1483   1HZ   LYS  85          HZ1       LYS  85  -7.475   2.081  -6.353
 1484   2HZ   LYS  85          HZ2       LYS  85  -6.890   1.405  -4.920
 1485   3HZ   LYS  85          HZ3       LYS  85  -5.935   2.492  -5.792
 1486    H    GLU  86           HN       GLU  86  -2.821   4.864  -1.094
 1487    HA   GLU  86           HA       GLU  86  -3.456   7.340   0.219
 1488   1HB   GLU  86          HB2       GLU  86  -1.542   5.378   1.378
 1489   2HB   GLU  86          HB1       GLU  86  -2.764   6.339   2.181
 1490   1HG   GLU  86          HG2       GLU  86  -3.203   3.884   0.524
 1491   2HG   GLU  86          HG1       GLU  86  -3.371   4.035   2.269
 1492    H    VAL  87           HN       VAL  87  -0.541   5.573  -0.682
 1493    HA   VAL  87           HA       VAL  87   1.240   7.675  -0.016
 1494    HB   VAL  87           HB       VAL  87   1.716   5.191  -1.647
 1495   1HG1  VAL  87          HG11      VAL  87   3.405   6.766  -2.189
 1496   2HG1  VAL  87          HG12      VAL  87   4.102   5.613  -1.054
 1497   3HG1  VAL  87          HG13      VAL  87   3.617   7.216  -0.498
 1498   1HG2  VAL  87          HG21      VAL  87   1.022   4.675   0.610
 1499   2HG2  VAL  87          HG22      VAL  87   2.199   5.817   1.263
 1500   3HG2  VAL  87          HG23      VAL  87   2.749   4.360   0.436
 1501    H    ARG  88           HN       ARG  88  -0.838   7.371  -2.606
 1502    HA   ARG  88           HA       ARG  88   0.822   8.325  -4.707
 1503   1HB   ARG  88          HB2       ARG  88  -1.482   7.124  -4.791
 1504   2HB   ARG  88          HB1       ARG  88  -2.148   8.746  -4.611
 1505   1HG   ARG  88          HG2       ARG  88  -0.332   7.810  -6.824
 1506   2HG   ARG  88          HG1       ARG  88  -2.068   8.096  -6.946
 1507   1HD   ARG  88          HD2       ARG  88   0.054  10.153  -6.346
 1508   2HD   ARG  88          HD1       ARG  88  -0.834   9.976  -7.858
 1509    HE   ARG  88           HE       ARG  88  -2.683  10.324  -5.790
 1510   1HH1  ARG  88          HH11      ARG  88  -0.187  12.103  -7.440
 1511   2HH1  ARG  88          HH12      ARG  88  -0.939  13.644  -7.191
 1512   1HH2  ARG  88          HH21      ARG  88  -3.684  12.348  -5.456
 1513   2HH2  ARG  88          HH22      ARG  88  -2.927  13.782  -6.063
 1514    H    LYS  89           HN       LYS  89  -1.882  10.069  -3.160
 1515    HA   LYS  89           HA       LYS  89  -1.027  12.621  -4.018
 1516   1HB   LYS  89          HB2       LYS  89  -2.494  13.447  -2.104
 1517   2HB   LYS  89          HB1       LYS  89  -3.291  12.485  -3.329
 1518   1HG   LYS  89          HG2       LYS  89  -2.310  10.773  -1.187
 1519   2HG   LYS  89          HG1       LYS  89  -3.301  12.105  -0.568
 1520   1HD   LYS  89          HD2       LYS  89  -4.613  10.043  -1.180
 1521   2HD   LYS  89          HD1       LYS  89  -5.164  11.549  -1.904
 1522   1HE   LYS  89          HE2       LYS  89  -3.880  10.902  -3.978
 1523   2HE   LYS  89          HE1       LYS  89  -3.609   9.339  -3.234
 1524   1HZ   LYS  89          HZ1       LYS  89  -5.992   9.003  -3.138
 1525   2HZ   LYS  89          HZ2       LYS  89  -5.498   9.300  -4.727
 1526   3HZ   LYS  89          HZ3       LYS  89  -6.259  10.520  -3.838
 1527    H    GLU  90           HN       GLU  90  -0.451  10.663  -1.246
 1528    HA   GLU  90           HA       GLU  90   0.775  12.515   0.430
 1529   1HB   GLU  90          HB2       GLU  90   0.836   9.540   0.129
 1530   2HB   GLU  90          HB1       GLU  90   1.746  10.348   1.413
 1531   1HG   GLU  90          HG2       GLU  90  -1.228  10.555   0.923
 1532   2HG   GLU  90          HG1       GLU  90  -0.450   9.525   2.147
 1533    H    LYS  91           HN       LYS  91   1.827  11.106  -2.503
 1534    HA   LYS  91           HA       LYS  91   4.555  10.906  -2.175
 1535   1HB   LYS  91          HB2       LYS  91   4.758  11.054  -4.517
 1536   2HB   LYS  91          HB1       LYS  91   3.177  10.341  -4.239
 1537   1HG   LYS  91          HG2       LYS  91   2.140  12.539  -4.607
 1538   2HG   LYS  91          HG1       LYS  91   3.735  13.219  -4.928
 1539   1HD   LYS  91          HD2       LYS  91   3.997  11.605  -6.794
 1540   2HD   LYS  91          HD1       LYS  91   2.342  11.060  -6.509
 1541   1HE   LYS  91          HE2       LYS  91   2.378  12.658  -8.324
 1542   2HE   LYS  91          HE1       LYS  91   1.540  13.349  -6.935
 1543   1HZ   LYS  91          HZ1       LYS  91   3.553  14.563  -6.373
 1544   2HZ   LYS  91          HZ2       LYS  91   3.047  14.944  -7.941
 1545   3HZ   LYS  91          HZ3       LYS  91   4.356  13.899  -7.706
 1546    H    ALA  92           HN       ALA  92   2.601  13.699  -3.045
 1547    HA   ALA  92           HA       ALA  92   4.842  15.521  -2.888
 1548   1HB   ALA  92          HB1       ALA  92   3.130  17.260  -3.341
 1549   2HB   ALA  92          HB2       ALA  92   1.893  16.004  -3.295
 1550   3HB   ALA  92          HB3       ALA  92   3.145  15.964  -4.536
 1551    H    LEU  93           HN       LEU  93   2.462  14.305  -0.697
 1552    HA   LEU  93           HA       LEU  93   2.731  16.545   1.103
 1553   1HB   LEU  93          HB2       LEU  93   0.685  14.986   0.913
 1554   2HB   LEU  93          HB1       LEU  93   1.624  13.873   1.898
 1555    HG   LEU  93           HG       LEU  93   1.886  16.172   3.321
 1556   1HD1  LEU  93          HD11      LEU  93  -0.321  17.200   3.491
 1557   2HD1  LEU  93          HD12      LEU  93  -0.903  16.179   2.175
 1558   3HD1  LEU  93          HD13      LEU  93   0.350  17.383   1.870
 1559   1HD2  LEU  93          HD21      LEU  93  -0.401  14.234   3.647
 1560   2HD2  LEU  93          HD22      LEU  93   0.385  15.189   4.903
 1561   3HD2  LEU  93          HD23      LEU  93   1.265  13.885   4.107
 1562    H    GLY  94           HN       GLY  94   4.243  13.475   0.565
 1563   1HA   GLY  94          HA2       GLY  94   5.407  12.853   2.965
 1564   2HA   GLY  94          HA1       GLY  94   6.218  12.643   1.414
 1565    H    ILE  95           HN       ILE  95   6.339  15.380   0.714
 1566    HA   ILE  95           HA       ILE  95   8.710  16.103   2.095
 1567    HB   ILE  95           HB       ILE  95   8.571  18.201   0.731
 1568   1HG1  ILE  95          HG12      ILE  95   6.357  16.836  -0.751
 1569   2HG1  ILE  95          HG11      ILE  95   5.989  17.967   0.549
 1570   1HG2  ILE  95          HG21      ILE  95   9.804  16.268   0.067
 1571   2HG2  ILE  95          HG22      ILE  95   9.050  17.023  -1.341
 1572   3HG2  ILE  95          HG23      ILE  95   8.345  15.577  -0.625
 1573   1HD1  ILE  95          HD11      ILE  95   5.883  19.098  -1.569
 1574   2HD1  ILE  95          HD12      ILE  95   7.508  18.551  -1.984
 1575   3HD1  ILE  95          HD13      ILE  95   7.275  19.696  -0.663
 1576    H    ARG  96           HN       ARG  96   7.290  15.987   4.185
 1577    HA   ARG  96           HA       ARG  96   5.720  18.231   4.822
 1578   1HB   ARG  96          HB2       ARG  96   7.260  16.278   6.517
 1579   2HB   ARG  96          HB1       ARG  96   6.329  17.596   7.225
 1580   1HG   ARG  96          HG2       ARG  96   4.539  16.286   7.136
 1581   2HG   ARG  96          HG1       ARG  96   4.624  16.411   5.372
 1582   1HD   ARG  96          HD2       ARG  96   4.529  14.080   6.152
 1583   2HD   ARG  96          HD1       ARG  96   5.999  14.446   5.251
 1584    HE   ARG  96           HE       ARG  96   6.418  14.775   8.034
 1585   1HH1  ARG  96          HH11      ARG  96   6.048  12.341   5.572
 1586   2HH1  ARG  96          HH12      ARG  96   6.994  11.159   6.414
 1587   1HH2  ARG  96          HH21      ARG  96   7.665  13.227   9.154
 1588   2HH2  ARG  96          HH22      ARG  96   7.912  11.663   8.453
 1589    H    LYS  97           HN       LYS  97   9.070  17.793   4.380
 1590    HA   LYS  97           HA       LYS  97   9.817  20.192   5.793
 1591   1HB   LYS  97          HB2       LYS  97  12.040  19.568   4.364
 1592   2HB   LYS  97          HB1       LYS  97  11.691  18.929   5.960
 1593   1HG   LYS  97          HG2       LYS  97  10.787  17.487   3.488
 1594   2HG   LYS  97          HG1       LYS  97  12.425  17.302   4.122
 1595   1HD   LYS  97          HD2       LYS  97  11.660  16.388   6.145
 1596   2HD   LYS  97          HD1       LYS  97  10.008  16.936   5.865
 1597   1HE   LYS  97          HE2       LYS  97   9.647  15.304   4.199
 1598   2HE   LYS  97          HE1       LYS  97  11.365  14.921   4.093
 1599   1HZ   LYS  97          HZ1       LYS  97   9.642  14.409   6.460
 1600   2HZ   LYS  97          HZ2       LYS  97  11.273  13.992   6.310
 1601   3HZ   LYS  97          HZ3       LYS  97  10.117  13.242   5.332
 1602    H    LYS  98           HN       LYS  98   8.494  21.657   4.653
 1603    HA   LYS  98           HA       LYS  98   9.334  22.172   1.882
 1604   1HB   LYS  98          HB2       LYS  98   6.812  23.100   3.262
 1605   2HB   LYS  98          HB1       LYS  98   7.205  23.296   1.561
 1606   1HG   LYS  98          HG2       LYS  98   7.250  20.765   1.410
 1607   2HG   LYS  98          HG1       LYS  98   6.550  20.758   3.031
 1608   1HD   LYS  98          HD2       LYS  98   4.636  22.024   2.253
 1609   2HD   LYS  98          HD1       LYS  98   5.346  22.155   0.643
 1610   1HE   LYS  98          HE2       LYS  98   5.224  19.735   0.384
 1611   2HE   LYS  98          HE1       LYS  98   4.546  19.585   2.004
 1612   1HZ   LYS  98          HZ1       LYS  98   2.624  20.845   1.289
 1613   2HZ   LYS  98          HZ2       LYS  98   2.836  19.499   0.288
 1614   3HZ   LYS  98          HZ3       LYS  98   3.282  21.036  -0.259
  Start of MODEL   14
    1   1H    MET   1          HT1       MET   1 -17.112   3.719  -2.516
    2   2H    MET   1          HT2       MET   1 -17.246   3.625  -4.200
    3   3H    MET   1          HT3       MET   1 -18.491   4.323  -3.293
    4    HA   MET   1           HA       MET   1 -17.351   6.109  -4.231
    5   1HB   MET   1          HB2       MET   1 -16.891   5.577  -1.358
    6   2HB   MET   1          HB1       MET   1 -15.929   6.835  -2.072
    7   1HG   MET   1          HG2       MET   1 -18.089   7.531  -0.977
    8   2HG   MET   1          HG1       MET   1 -17.762   8.139  -2.584
    9   1HE   MET   1          HE1       MET   1 -20.159   8.928  -2.607
   10   2HE   MET   1          HE2       MET   1 -20.910   8.056  -1.270
   11   3HE   MET   1          HE3       MET   1 -21.561   7.900  -2.900
   12    H    ALA   2           HN       ALA   2 -15.225   7.379  -4.161
   13    HA   ALA   2           HA       ALA   2 -13.037   5.523  -4.787
   14   1HB   ALA   2          HB1       ALA   2 -12.265   7.647  -6.162
   15   2HB   ALA   2          HB2       ALA   2 -14.000   7.970  -6.153
   16   3HB   ALA   2          HB3       ALA   2 -13.385   6.459  -6.825
   17    H    ALA   3           HN       ALA   3 -11.576   5.519  -3.211
   18    HA   ALA   3           HA       ALA   3 -11.267   7.657  -1.374
   19   1HB   ALA   3          HB1       ALA   3  -9.514   5.271  -1.960
   20   2HB   ALA   3          HB2       ALA   3 -10.723   5.416  -0.687
   21   3HB   ALA   3          HB3       ALA   3  -9.254   6.389  -0.623
   22    H    GLU   4           HN       GLU   4 -10.830   9.544  -2.457
   23    HA   GLU   4           HA       GLU   4  -8.815   9.783  -4.437
   24   1HB   GLU   4          HB2       GLU   4 -10.070  11.953  -2.776
   25   2HB   GLU   4          HB1       GLU   4  -9.166  12.160  -4.272
   26   1HG   GLU   4          HG2       GLU   4 -11.827  10.826  -3.909
   27   2HG   GLU   4          HG1       GLU   4 -11.463  12.311  -4.794
   28    H    THR   5           HN       THR   5  -8.779  11.649  -1.396
   29    HA   THR   5           HA       THR   5  -5.949  11.628  -1.356
   30    HB   THR   5           HB       THR   5  -7.483  13.367  -0.306
   31    HG1  THR   5           HG1      THR   5  -5.740  13.961   0.761
   32   1HG2  THR   5          HG21      THR   5  -7.352  12.008   2.251
   33   2HG2  THR   5          HG22      THR   5  -8.371  11.178   1.079
   34   3HG2  THR   5          HG23      THR   5  -8.697  12.860   1.490
   35    H    LEU   6           HN       LEU   6  -5.769  11.070   1.606
   36    HA   LEU   6           HA       LEU   6  -5.255   8.251   1.348
   37   1HB   LEU   6          HB2       LEU   6  -5.078   9.131   4.074
   38   2HB   LEU   6          HB1       LEU   6  -3.815   8.564   3.015
   39    HG   LEU   6           HG       LEU   6  -3.893  11.016   2.125
   40   1HD1  LEU   6          HD11      LEU   6  -5.074  11.248   4.885
   41   2HD1  LEU   6          HD12      LEU   6  -5.803  11.784   3.375
   42   3HD1  LEU   6          HD13      LEU   6  -4.368  12.594   3.994
   43   1HD2  LEU   6          HD21      LEU   6  -2.054   9.790   3.321
   44   2HD2  LEU   6          HD22      LEU   6  -2.692  10.460   4.821
   45   3HD2  LEU   6          HD23      LEU   6  -2.080  11.535   3.565
   46    H    THR   7           HN       THR   7  -6.686   6.719   1.687
   47    HA   THR   7           HA       THR   7  -9.148   7.237   3.124
   48    HB   THR   7           HB       THR   7  -8.830   4.441   2.644
   49    HG1  THR   7           HG1      THR   7  -8.526   4.579   0.329
   50   1HG2  THR   7          HG21      THR   7 -10.920   5.865   2.665
   51   2HG2  THR   7          HG22      THR   7 -10.804   4.704   1.341
   52   3HG2  THR   7          HG23      THR   7 -10.465   6.409   1.050
   53    H    GLU   8           HN       GLU   8  -9.781   5.276   4.705
   54    HA   GLU   8           HA       GLU   8  -8.576   5.651   7.090
   55   1HB   GLU   8          HB2       GLU   8  -9.439   2.873   6.367
   56   2HB   GLU   8          HB1       GLU   8  -9.572   3.706   7.908
   57   1HG   GLU   8          HG2       GLU   8 -11.197   4.172   5.427
   58   2HG   GLU   8          HG1       GLU   8 -11.744   3.545   6.981
   59    H    LEU   9           HN       LEU   9  -7.401   3.601   4.553
   60    HA   LEU   9           HA       LEU   9  -5.522   2.096   5.897
   61   1HB   LEU   9          HB2       LEU   9  -4.309   2.202   3.629
   62   2HB   LEU   9          HB1       LEU   9  -5.906   1.483   3.739
   63    HG   LEU   9           HG       LEU   9  -6.263   4.230   3.154
   64   1HD1  LEU   9          HD11      LEU   9  -4.177   2.867   1.481
   65   2HD1  LEU   9          HD12      LEU   9  -4.080   4.428   2.286
   66   3HD1  LEU   9          HD13      LEU   9  -5.143   4.219   0.898
   67   1HD2  LEU   9          HD21      LEU   9  -7.857   2.596   2.557
   68   2HD2  LEU   9          HD22      LEU   9  -6.665   1.659   1.657
   69   3HD2  LEU   9          HD23      LEU   9  -7.203   3.225   1.043
   70    H    GLU  10           HN       GLU  10  -5.395   5.509   5.161
   71    HA   GLU  10           HA       GLU  10  -2.680   5.994   5.080
   72   1HB   GLU  10          HB2       GLU  10  -3.357   8.101   6.551
   73   2HB   GLU  10          HB1       GLU  10  -3.758   7.965   4.854
   74   1HG   GLU  10          HG2       GLU  10  -5.936   7.929   5.247
   75   2HG   GLU  10          HG1       GLU  10  -5.765   6.803   6.590
   76    H    ALA  11           HN       ALA  11  -4.753   5.455   7.899
   77    HA   ALA  11           HA       ALA  11  -2.947   5.925   9.949
   78   1HB   ALA  11          HB1       ALA  11  -4.262   4.348  11.289
   79   2HB   ALA  11          HB2       ALA  11  -5.034   3.743   9.824
   80   3HB   ALA  11          HB3       ALA  11  -5.310   5.405  10.342
   81    H    ALA  12           HN       ALA  12  -3.175   3.305   7.689
   82    HA   ALA  12           HA       ALA  12  -1.332   1.572   9.019
   83   1HB   ALA  12          HB1       ALA  12  -2.017   1.595   6.083
   84   2HB   ALA  12          HB2       ALA  12  -3.018   0.832   7.317
   85   3HB   ALA  12          HB3       ALA  12  -1.378   0.249   7.027
   86    H    ILE  13           HN       ILE  13  -1.109   4.196   6.722
   87    HA   ILE  13           HA       ILE  13   1.434   3.837   5.734
   88    HB   ILE  13           HB       ILE  13  -0.346   5.715   5.260
   89   1HG1  ILE  13          HG12      ILE  13   1.699   5.229   3.959
   90   2HG1  ILE  13          HG11      ILE  13   1.341   6.951   4.029
   91   1HG2  ILE  13          HG21      ILE  13   0.270   6.682   7.652
   92   2HG2  ILE  13          HG22      ILE  13  -0.168   7.732   6.304
   93   3HG2  ILE  13          HG23      ILE  13   1.529   7.492   6.719
   94   1HD1  ILE  13          HD11      ILE  13   3.528   5.417   5.363
   95   2HD1  ILE  13          HD12      ILE  13   2.993   6.965   6.015
   96   3HD1  ILE  13          HD13      ILE  13   3.621   6.871   4.369
   97    H    GLU  14           HN       GLU  14   0.383   4.755   8.891
   98    HA   GLU  14           HA       GLU  14   2.711   5.967   9.886
   99   1HB   GLU  14          HB2       GLU  14   0.619   4.358  11.361
  100   2HB   GLU  14          HB1       GLU  14   1.803   5.420  12.112
  101   1HG   GLU  14          HG2       GLU  14   0.824   7.332  10.941
  102   2HG   GLU  14          HG1       GLU  14  -0.369   6.263  10.204
  103    H    THR  15           HN       THR  15   1.778   2.594   9.528
  104    HA   THR  15           HA       THR  15   4.026   1.620  11.072
  105    HB   THR  15           HB       THR  15   2.323   0.061   9.124
  106    HG1  THR  15           HG1      THR  15   1.283  -0.547  11.255
  107   1HG2  THR  15          HG21      THR  15   2.967  -1.855  10.538
  108   2HG2  THR  15          HG22      THR  15   4.004  -0.787  11.484
  109   3HG2  THR  15          HG23      THR  15   4.360  -1.081   9.782
  110    H    VAL  16           HN       VAL  16   3.078   1.137   7.709
  111    HA   VAL  16           HA       VAL  16   5.380   0.118   6.663
  112    HB   VAL  16           HB       VAL  16   3.197   0.339   5.508
  113   1HG1  VAL  16          HG11      VAL  16   3.997   3.092   4.662
  114   2HG1  VAL  16          HG12      VAL  16   3.099   2.851   6.160
  115   3HG1  VAL  16          HG13      VAL  16   2.411   2.321   4.627
  116   1HG2  VAL  16          HG21      VAL  16   4.356  -0.203   3.700
  117   2HG2  VAL  16          HG22      VAL  16   5.803   0.521   4.397
  118   3HG2  VAL  16          HG23      VAL  16   4.714   1.493   3.411
  119    H    VAL  17           HN       VAL  17   4.789   3.423   7.588
  120    HA   VAL  17           HA       VAL  17   6.963   4.490   6.043
  121    HB   VAL  17           HB       VAL  17   4.979   5.859   6.587
  122   1HG1  VAL  17          HG11      VAL  17   6.099   5.992   9.379
  123   2HG1  VAL  17          HG12      VAL  17   4.737   4.980   8.910
  124   3HG1  VAL  17          HG13      VAL  17   4.615   6.731   8.777
  125   1HG2  VAL  17          HG21      VAL  17   7.597   6.927   7.641
  126   2HG2  VAL  17          HG22      VAL  17   6.215   7.902   7.138
  127   3HG2  VAL  17          HG23      VAL  17   7.079   6.921   5.955
  128    H    SER  18           HN       SER  18   6.376   3.671   9.438
  129    HA   SER  18           HA       SER  18   8.989   4.554  10.258
  130   1HB   SER  18          HB2       SER  18   6.849   3.018  11.745
  131   2HB   SER  18          HB1       SER  18   8.340   3.617  12.472
  132    HG   SER  18           HG       SER  18   6.042   4.949  11.872
  133    H    THR  19           HN       THR  19   7.736   1.678   8.924
  134    HA   THR  19           HA       THR  19   9.741  -0.015  10.130
  135    HB   THR  19           HB       THR  19   8.822  -1.815   8.732
  136    HG1  THR  19           HG1      THR  19   7.213   0.293   7.682
  137   1HG2  THR  19          HG21      THR  19   6.553  -1.856   9.706
  138   2HG2  THR  19          HG22      THR  19   6.737  -0.163  10.163
  139   3HG2  THR  19          HG23      THR  19   7.779  -1.388  10.883
  140    H    PHE  20           HN       PHE  20   8.943   0.131   6.735
  141    HA   PHE  20           HA       PHE  20  11.675  -0.382   5.987
  142   1HB   PHE  20          HB2       PHE  20  10.092  -1.765   4.904
  143   2HB   PHE  20          HB1       PHE  20   9.033  -0.412   4.552
  144    HD1  PHE  20           HD1      PHE  20   8.796  -0.975   2.251
  145    HD2  PHE  20           HD2      PHE  20  12.642  -0.276   3.917
  146    HE1  PHE  20           HE1      PHE  20   9.744  -0.812  -0.004
  147    HE2  PHE  20           HE2      PHE  20  13.597  -0.106   1.662
  148    HZ   PHE  20           HZ       PHE  20  12.137  -0.372  -0.296
  149    H    PHE  21           HN       PHE  21   9.407   2.245   5.942
  150    HA   PHE  21           HA       PHE  21  11.059   3.660   4.084
  151   1HB   PHE  21          HB2       PHE  21   8.724   4.706   5.637
  152   2HB   PHE  21          HB1       PHE  21   9.468   5.463   4.230
  153    HD1  PHE  21           HD1      PHE  21   6.624   4.946   4.143
  154    HD2  PHE  21           HD2      PHE  21   9.884   2.324   3.225
  155    HE1  PHE  21           HE1      PHE  21   5.137   3.609   2.734
  156    HE2  PHE  21           HE2      PHE  21   8.358   1.008   1.786
  157    HZ   PHE  21           HZ       PHE  21   6.005   1.639   1.547
  158    H    THR  22           HN       THR  22  11.518   2.908   7.158
  159    HA   THR  22           HA       THR  22  12.795   5.427   7.848
  160    HB   THR  22           HB       THR  22  13.706   4.244   9.790
  161    HG1  THR  22           HG1      THR  22  13.835   2.228   8.683
  162   1HG2  THR  22          HG21      THR  22  10.764   3.847   9.304
  163   2HG2  THR  22          HG22      THR  22  11.530   5.292   9.957
  164   3HG2  THR  22          HG23      THR  22  11.547   3.796  10.885
  165    H    PHE  23           HN       PHE  23  13.464   3.253   5.538
  166    HA   PHE  23           HA       PHE  23  16.142   2.476   6.010
  167   1HB   PHE  23          HB2       PHE  23  14.454   2.694   3.541
  168   2HB   PHE  23          HB1       PHE  23  16.149   2.274   3.450
  169    HD1  PHE  23           HD1      PHE  23  15.777   0.130   2.494
  170    HD2  PHE  23           HD2      PHE  23  14.022   1.207   6.222
  171    HE1  PHE  23           HE1      PHE  23  15.297  -2.234   2.946
  172    HE2  PHE  23           HE2      PHE  23  13.545  -1.161   6.689
  173    HZ   PHE  23           HZ       PHE  23  14.181  -2.889   5.049
  174    H    ALA  24           HN       ALA  24  14.978   5.570   5.340
  175    HA   ALA  24           HA       ALA  24  16.916   6.576   3.583
  176   1HB   ALA  24          HB1       ALA  24  14.986   7.761   5.502
  177   2HB   ALA  24          HB2       ALA  24  15.173   8.023   3.768
  178   3HB   ALA  24          HB3       ALA  24  16.289   8.787   4.900
  179    H    GLY  25           HN       GLY  25  17.209   5.565   6.812
  180   1HA   GLY  25          HA2       GLY  25  18.980   7.140   8.077
  181   2HA   GLY  25          HA1       GLY  25  19.104   5.383   8.097
  182    H    ARG  26           HN       ARG  26  19.647   5.307   5.176
  183    HA   ARG  26           HA       ARG  26  22.446   5.342   5.213
  184   1HB   ARG  26          HB2       ARG  26  20.633   5.531   2.792
  185   2HB   ARG  26          HB1       ARG  26  22.318   5.018   2.798
  186   1HG   ARG  26          HG2       ARG  26  20.349   3.572   4.481
  187   2HG   ARG  26          HG1       ARG  26  20.391   3.275   2.744
  188   1HD   ARG  26          HD2       ARG  26  21.774   1.658   3.759
  189   2HD   ARG  26          HD1       ARG  26  22.843   2.828   2.985
  190    HE   ARG  26           HE       ARG  26  22.356   3.428   5.742
  191   1HH1  ARG  26          HH11      ARG  26  24.279   1.514   3.555
  192   2HH1  ARG  26          HH12      ARG  26  25.599   1.340   4.662
  193   1HH2  ARG  26          HH21      ARG  26  24.093   3.204   7.206
  194   2HH2  ARG  26          HH22      ARG  26  25.493   2.300   6.736
  195    H    GLU  27           HN       GLU  27  20.231   7.532   3.496
  196    HA   GLU  27           HA       GLU  27  22.361   9.565   3.561
  197   1HB   GLU  27          HB2       GLU  27  21.307  10.492   1.484
  198   2HB   GLU  27          HB1       GLU  27  22.050   8.911   1.289
  199   1HG   GLU  27          HG2       GLU  27  19.907   7.834   1.308
  200   2HG   GLU  27          HG1       GLU  27  19.102   9.351   1.713
  201    H    GLY  28           HN       GLY  28  21.898  11.014   5.058
  202   1HA   GLY  28          HA2       GLY  28  19.106  11.716   5.599
  203   2HA   GLY  28          HA1       GLY  28  20.492  12.139   6.595
  204    H    ARG  29           HN       ARG  29  18.376  13.131   4.131
  205    HA   ARG  29           HA       ARG  29  19.647  15.743   4.075
  206   1HB   ARG  29          HB2       ARG  29  19.607  15.849   1.614
  207   2HB   ARG  29          HB1       ARG  29  20.670  14.570   2.185
  208   1HG   ARG  29          HG2       ARG  29  19.376  12.920   1.343
  209   2HG   ARG  29          HG1       ARG  29  17.876  13.804   1.622
  210   1HD   ARG  29          HD2       ARG  29  18.173  13.638  -0.731
  211   2HD   ARG  29          HD1       ARG  29  18.513  15.307  -0.276
  212    HE   ARG  29           HE       ARG  29  20.887  13.744  -0.323
  213   1HH1  ARG  29          HH11      ARG  29  18.587  15.368  -2.375
  214   2HH1  ARG  29          HH12      ARG  29  19.719  15.620  -3.662
  215   1HH2  ARG  29          HH21      ARG  29  22.383  14.066  -2.013
  216   2HH2  ARG  29          HH22      ARG  29  21.877  14.878  -3.457
  217    H    LYS  30           HN       LYS  30  18.187  17.014   2.208
  218    HA   LYS  30           HA       LYS  30  15.460  16.779   3.244
  219   1HB   LYS  30          HB2       LYS  30  15.116  19.040   2.313
  220   2HB   LYS  30          HB1       LYS  30  16.468  18.996   3.439
  221   1HG   LYS  30          HG2       LYS  30  18.031  18.930   1.562
  222   2HG   LYS  30          HG1       LYS  30  16.674  18.967   0.434
  223   1HD   LYS  30          HD2       LYS  30  17.609  21.189   0.667
  224   2HD   LYS  30          HD1       LYS  30  15.992  21.144   1.373
  225   1HE   LYS  30          HE2       LYS  30  17.515  22.380   2.807
  226   2HE   LYS  30          HE1       LYS  30  16.978  20.901   3.602
  227   1HZ   LYS  30          HZ1       LYS  30  19.578  21.259   2.213
  228   2HZ   LYS  30          HZ2       LYS  30  19.064  19.852   2.997
  229   3HZ   LYS  30          HZ3       LYS  30  19.351  21.260   3.889
  230    H    GLY  31           HN       GLY  31  16.226  14.811   1.498
  231   1HA   GLY  31          HA2       GLY  31  14.477  15.383  -0.787
  232   2HA   GLY  31          HA1       GLY  31  16.084  14.718  -1.085
  233    H    SER  32           HN       SER  32  16.262  12.558  -1.133
  234    HA   SER  32           HA       SER  32  14.378  10.992   0.412
  235   1HB   SER  32          HB2       SER  32  13.783   9.593  -1.546
  236   2HB   SER  32          HB1       SER  32  13.171  11.247  -1.563
  237    HG   SER  32           HG       SER  32  15.055  10.025  -3.197
  238    H    LEU  33           HN       LEU  33  14.602   8.644  -0.062
  239    HA   LEU  33           HA       LEU  33  17.383   7.947   0.321
  240   1HB   LEU  33          HB2       LEU  33  15.960   7.230   2.088
  241   2HB   LEU  33          HB1       LEU  33  14.821   6.533   0.956
  242    HG   LEU  33           HG       LEU  33  16.605   4.911   0.284
  243   1HD1  LEU  33          HD11      LEU  33  18.050   5.251   2.791
  244   2HD1  LEU  33          HD12      LEU  33  18.299   6.553   1.632
  245   3HD1  LEU  33          HD13      LEU  33  18.651   4.887   1.176
  246   1HD2  LEU  33          HD21      LEU  33  16.481   3.740   2.579
  247   2HD2  LEU  33          HD22      LEU  33  15.062   3.897   1.550
  248   3HD2  LEU  33          HD23      LEU  33  15.304   4.995   2.903
  249    H    ASN  34           HN       ASN  34  18.133   5.907  -0.555
  250    HA   ASN  34           HA       ASN  34  17.227   5.570  -3.319
  251   1HB   ASN  34          HB2       ASN  34  19.763   5.413  -1.767
  252   2HB   ASN  34          HB1       ASN  34  19.649   4.412  -3.226
  253   1HD2  ASN  34          HD21      ASN  34  21.179   5.539  -4.383
  254   2HD2  ASN  34          HD22      ASN  34  20.941   7.157  -4.942
  255    H    ILE  35           HN       ILE  35  18.572   2.964  -3.573
  256    HA   ILE  35           HA       ILE  35  16.766   1.410  -1.969
  257    HB   ILE  35           HB       ILE  35  17.617  -0.506  -3.535
  258   1HG1  ILE  35          HG12      ILE  35  18.183   0.296  -5.759
  259   2HG1  ILE  35          HG11      ILE  35  18.078   1.965  -5.204
  260   1HG2  ILE  35          HG21      ILE  35  15.824   1.045  -5.161
  261   2HG2  ILE  35          HG22      ILE  35  15.345   1.078  -3.466
  262   3HG2  ILE  35          HG23      ILE  35  15.549  -0.463  -4.296
  263   1HD1  ILE  35          HD11      ILE  35  20.393   1.141  -5.341
  264   2HD1  ILE  35          HD12      ILE  35  19.996  -0.088  -4.138
  265   3HD1  ILE  35          HD13      ILE  35  19.933   1.617  -3.704
  266    H    ASN  36           HN       ASN  36  19.587   2.451  -1.326
  267    HA   ASN  36           HA       ASN  36  21.402   0.372  -1.096
  268   1HB   ASN  36          HB2       ASN  36  21.896   2.756  -0.543
  269   2HB   ASN  36          HB1       ASN  36  20.955   2.572   0.937
  270   1HD2  ASN  36          HD21      ASN  36  23.776   3.236   0.559
  271   2HD2  ASN  36          HD22      ASN  36  24.664   2.046   1.442
  272    H    GLU  37           HN       GLU  37  19.338   1.537   1.550
  273    HA   GLU  37           HA       GLU  37  19.614  -0.807   3.082
  274   1HB   GLU  37          HB2       GLU  37  17.316   1.096   2.999
  275   2HB   GLU  37          HB1       GLU  37  17.640  -0.034   4.297
  276   1HG   GLU  37          HG2       GLU  37  19.949   1.325   4.212
  277   2HG   GLU  37          HG1       GLU  37  18.815   2.575   3.680
  278    H    PHE  38           HN       PHE  38  17.338   0.162   0.550
  279    HA   PHE  38           HA       PHE  38  15.414  -1.747   0.741
  280   1HB   PHE  38          HB2       PHE  38  15.840   0.103  -0.995
  281   2HB   PHE  38          HB1       PHE  38  16.681  -1.132  -1.915
  282    HD1  PHE  38           HD1      PHE  38  13.911   0.649  -1.942
  283    HD2  PHE  38           HD2      PHE  38  14.993  -3.454  -1.745
  284    HE1  PHE  38           HE1      PHE  38  11.742   0.039  -2.930
  285    HE2  PHE  38           HE2      PHE  38  12.824  -4.076  -2.731
  286    HZ   PHE  38           HZ       PHE  38  11.197  -2.328  -3.326
  287    H    LYS  39           HN       LYS  39  18.743  -2.142  -0.243
  288    HA   LYS  39           HA       LYS  39  18.504  -4.690  -1.322
  289   1HB   LYS  39          HB2       LYS  39  20.943  -3.584   0.009
  290   2HB   LYS  39          HB1       LYS  39  20.881  -4.799  -1.264
  291   1HG   LYS  39          HG2       LYS  39  19.658  -2.976  -2.597
  292   2HG   LYS  39          HG1       LYS  39  20.395  -1.878  -1.427
  293   1HD   LYS  39          HD2       LYS  39  22.607  -3.019  -1.938
  294   2HD   LYS  39          HD1       LYS  39  21.794  -3.720  -3.338
  295   1HE   LYS  39          HE2       LYS  39  21.302  -1.498  -4.186
  296   2HE   LYS  39          HE1       LYS  39  22.007  -0.766  -2.748
  297   1HZ   LYS  39          HZ1       LYS  39  23.474  -2.398  -4.750
  298   2HZ   LYS  39          HZ2       LYS  39  24.150  -1.685  -3.374
  299   3HZ   LYS  39          HZ3       LYS  39  23.537  -0.713  -4.615
  300    H    GLU  40           HN       GLU  40  18.275  -3.714   1.785
  301    HA   GLU  40           HA       GLU  40  19.076  -6.225   2.957
  302   1HB   GLU  40          HB2       GLU  40  18.802  -5.227   5.026
  303   2HB   GLU  40          HB1       GLU  40  19.150  -3.815   4.035
  304   1HG   GLU  40          HG2       GLU  40  16.699  -3.463   3.822
  305   2HG   GLU  40          HG1       GLU  40  16.463  -4.753   4.992
  306    H    LEU  41           HN       LEU  41  16.419  -5.045   1.274
  307    HA   LEU  41           HA       LEU  41  14.321  -6.313   2.684
  308   1HB   LEU  41          HB2       LEU  41  14.389  -5.366  -0.181
  309   2HB   LEU  41          HB1       LEU  41  12.949  -5.756   0.751
  310    HG   LEU  41           HG       LEU  41  14.838  -3.443   1.140
  311   1HD1  LEU  41          HD11      LEU  41  11.992  -2.914   1.141
  312   2HD1  LEU  41          HD12      LEU  41  12.491  -3.749  -0.327
  313   3HD1  LEU  41          HD13      LEU  41  13.264  -2.232   0.130
  314   1HD2  LEU  41          HD21      LEU  41  14.429  -4.075   3.354
  315   2HD2  LEU  41          HD22      LEU  41  12.789  -4.618   3.000
  316   3HD2  LEU  41          HD23      LEU  41  13.157  -2.895   3.034
  317    H    ALA  42           HN       ALA  42  14.604  -7.077  -0.738
  318    HA   ALA  42           HA       ALA  42  13.704  -9.562  -0.736
  319   1HB   ALA  42          HB1       ALA  42  14.887  -9.988  -2.730
  320   2HB   ALA  42          HB2       ALA  42  16.082  -8.758  -2.325
  321   3HB   ALA  42          HB3       ALA  42  14.432  -8.288  -2.684
  322    H    THR  43           HN       THR  43  16.864  -8.625   0.377
  323    HA   THR  43           HA       THR  43  18.059 -11.140   0.490
  324    HB   THR  43           HB       THR  43  19.308  -9.869   2.463
  325    HG1  THR  43           HG1      THR  43  18.379  -7.617   1.041
  326   1HG2  THR  43          HG21      THR  43  20.353 -10.393   0.341
  327   2HG2  THR  43          HG22      THR  43  20.708  -8.722   0.776
  328   3HG2  THR  43          HG23      THR  43  19.478  -9.074  -0.437
  329    H    GLN  44           HN       GLN  44  16.498  -9.263   3.118
  330    HA   GLN  44           HA       GLN  44  16.336 -11.575   4.790
  331   1HB   GLN  44          HB2       GLN  44  15.256  -8.773   5.142
  332   2HB   GLN  44          HB1       GLN  44  15.164 -10.030   6.368
  333   1HG   GLN  44          HG2       GLN  44  17.685  -8.841   5.234
  334   2HG   GLN  44          HG1       GLN  44  16.982  -8.485   6.812
  335   1HE2  GLN  44          HE21      GLN  44  17.078 -10.036   8.438
  336   2HE2  GLN  44          HE22      GLN  44  18.171 -11.371   8.367
  337    H    GLN  45           HN       GLN  45  14.283  -9.730   2.699
  338    HA   GLN  45           HA       GLN  45  11.842 -10.932   3.462
  339   1HB   GLN  45          HB2       GLN  45  12.617  -9.654   0.831
  340   2HB   GLN  45          HB1       GLN  45  10.981 -10.063   1.308
  341   1HG   GLN  45          HG2       GLN  45  12.494  -7.683   1.828
  342   2HG   GLN  45          HG1       GLN  45  10.785  -8.011   2.089
  343   1HE2  GLN  45          HE21      GLN  45  13.956  -8.004   3.496
  344   2HE2  GLN  45          HE22      GLN  45  13.442  -8.117   5.146
  345    H    LEU  46           HN       LEU  46  14.540 -11.824   1.489
  346    HA   LEU  46           HA       LEU  46  13.588 -13.694  -0.245
  347   1HB   LEU  46          HB2       LEU  46  16.111 -13.275   1.141
  348   2HB   LEU  46          HB1       LEU  46  15.792 -14.974   0.904
  349    HG   LEU  46           HG       LEU  46  15.982 -12.890  -1.269
  350   1HD1  LEU  46          HD11      LEU  46  17.986 -14.146  -1.910
  351   2HD1  LEU  46          HD12      LEU  46  17.801 -15.149  -0.471
  352   3HD1  LEU  46          HD13      LEU  46  18.130 -13.424  -0.306
  353   1HD2  LEU  46          HD21      LEU  46  15.891 -15.825  -1.758
  354   2HD2  LEU  46          HD22      LEU  46  15.409 -14.495  -2.809
  355   3HD2  LEU  46          HD23      LEU  46  14.379 -14.975  -1.461
  356    HA   PRO  47           HA       PRO  47  13.096 -17.043   2.938
  357   1HB   PRO  47          HB2       PRO  47  14.154 -16.949   5.386
  358   2HB   PRO  47          HB1       PRO  47  15.148 -17.377   3.990
  359   1HG   PRO  47          HG2       PRO  47  14.941 -14.779   5.458
  360   2HG   PRO  47          HG1       PRO  47  16.383 -15.598   4.830
  361   1HD   PRO  47          HD2       PRO  47  15.090 -13.521   3.545
  362   2HD   PRO  47          HD1       PRO  47  16.095 -14.745   2.743
  363    H    HIS  48           HN       HIS  48  11.078 -15.983   2.817
  364    HA   HIS  48           HA       HIS  48  10.089 -14.751   5.263
  365   1HB   HIS  48          HB2       HIS  48   9.424 -14.470   2.492
  366   2HB   HIS  48          HB1       HIS  48   8.010 -15.096   3.341
  367    HD1  HIS  48           HD1      HIS  48   6.874 -13.559   5.053
  368    HD2  HIS  48           HD2      HIS  48  10.222 -11.895   3.257
  369    HE1  HIS  48           HE1      HIS  48   6.858 -11.135   5.717
  370    HE2  HIS  48           HE2      HIS  48   8.848 -10.128   4.547
  371    H    LEU  49           HN       LEU  49   7.448 -15.628   5.118
  372    HA   LEU  49           HA       LEU  49   7.690 -18.371   6.002
  373   1HB   LEU  49          HB2       LEU  49   5.340 -16.478   5.739
  374   2HB   LEU  49          HB1       LEU  49   5.145 -18.156   6.205
  375    HG   LEU  49           HG       LEU  49   6.685 -16.055   7.731
  376   1HD1  LEU  49          HD11      LEU  49   4.272 -15.772   7.876
  377   2HD1  LEU  49          HD12      LEU  49   4.931 -16.342   9.410
  378   3HD1  LEU  49          HD13      LEU  49   4.090 -17.464   8.340
  379   1HD2  LEU  49          HD21      LEU  49   6.179 -18.959   8.372
  380   2HD2  LEU  49          HD22      LEU  49   6.924 -17.783   9.454
  381   3HD2  LEU  49          HD23      LEU  49   7.733 -18.239   7.954
  382    H    LEU  50           HN       LEU  50   5.113 -17.122   3.932
  383    HA   LEU  50           HA       LEU  50   5.558 -19.242   2.002
  384   1HB   LEU  50          HB2       LEU  50   3.267 -18.610   2.722
  385   2HB   LEU  50          HB1       LEU  50   3.508 -17.023   2.018
  386    HG   LEU  50           HG       LEU  50   3.689 -18.007  -0.208
  387   1HD1  LEU  50          HD11      LEU  50   3.213 -20.392  -0.544
  388   2HD1  LEU  50          HD12      LEU  50   3.210 -20.627   1.204
  389   3HD1  LEU  50          HD13      LEU  50   4.691 -20.134   0.382
  390   1HD2  LEU  50          HD21      LEU  50   1.259 -18.956   1.304
  391   2HD2  LEU  50          HD22      LEU  50   1.376 -18.760  -0.445
  392   3HD2  LEU  50          HD23      LEU  50   1.488 -17.351   0.609
  393    H    LYS  51           HN       LYS  51   7.779 -17.848   1.912
  394    HA   LYS  51           HA       LYS  51   8.172 -15.494   0.719
  395   1HB   LYS  51          HB2       LYS  51  10.049 -16.759   1.391
  396   2HB   LYS  51          HB1       LYS  51   9.652 -18.083   0.309
  397   1HG   LYS  51          HG2       LYS  51  10.107 -16.528  -1.601
  398   2HG   LYS  51          HG1       LYS  51  10.725 -15.353  -0.439
  399   1HD   LYS  51          HD2       LYS  51  11.986 -17.705  -1.620
  400   2HD   LYS  51          HD1       LYS  51  12.715 -16.330  -0.802
  401   1HE   LYS  51          HE2       LYS  51  12.117 -17.426   1.374
  402   2HE   LYS  51          HE1       LYS  51  11.616 -18.840   0.454
  403   1HZ   LYS  51          HZ1       LYS  51  14.342 -17.663   0.430
  404   2HZ   LYS  51          HZ2       LYS  51  13.852 -19.048  -0.407
  405   3HZ   LYS  51          HZ3       LYS  51  13.883 -19.050   1.284
  406    H    ASP  52           HN       ASP  52   8.710 -14.795  -1.344
  407    HA   ASP  52           HA       ASP  52   6.988 -15.881  -3.449
  408   1HB   ASP  52          HB2       ASP  52   8.204 -13.174  -2.953
  409   2HB   ASP  52          HB1       ASP  52   7.586 -13.612  -4.545
  410    H    VAL  53           HN       VAL  53  10.286 -14.970  -2.733
  411    HA   VAL  53           HA       VAL  53  12.106 -16.345  -3.457
  412    HB   VAL  53           HB       VAL  53  10.693 -16.216  -6.090
  413   1HG1  VAL  53          HG11      VAL  53  13.413 -17.369  -5.492
  414   2HG1  VAL  53          HG12      VAL  53  13.074 -15.966  -6.502
  415   3HG1  VAL  53          HG13      VAL  53  12.541 -17.567  -7.011
  416   1HG2  VAL  53          HG21      VAL  53   9.972 -17.911  -4.337
  417   2HG2  VAL  53          HG22      VAL  53  11.541 -18.670  -4.585
  418   3HG2  VAL  53          HG23      VAL  53  10.398 -18.552  -5.922
  419    H    GLY  54           HN       GLY  54  13.067 -14.441  -2.730
  420   1HA   GLY  54          HA2       GLY  54  13.328 -12.085  -4.275
  421   2HA   GLY  54          HA1       GLY  54  14.344 -12.546  -2.924
  422    H    SER  55           HN       SER  55  13.777 -13.606  -6.288
  423    HA   SER  55           HA       SER  55  16.281 -14.731  -6.713
  424   1HB   SER  55          HB2       SER  55  14.583 -15.173  -8.312
  425   2HB   SER  55          HB1       SER  55  14.313 -13.456  -8.610
  426    HG   SER  55           HG       SER  55  15.988 -13.406  -9.912
  427    H    LEU  56           HN       LEU  56  18.256 -13.950  -7.087
  428    HA   LEU  56           HA       LEU  56  19.132 -11.497  -6.387
  429   1HB   LEU  56          HB2       LEU  56  20.197 -13.430  -8.415
  430   2HB   LEU  56          HB1       LEU  56  21.015 -11.903  -8.142
  431    HG   LEU  56           HG       LEU  56  22.019 -13.774  -6.882
  432   1HD1  LEU  56          HD11      LEU  56  22.268 -11.508  -6.056
  433   2HD1  LEU  56          HD12      LEU  56  22.111 -12.638  -4.712
  434   3HD1  LEU  56          HD13      LEU  56  20.740 -11.636  -5.187
  435   1HD2  LEU  56          HD21      LEU  56  20.828 -14.712  -4.963
  436   2HD2  LEU  56          HD22      LEU  56  20.002 -15.079  -6.478
  437   3HD2  LEU  56          HD23      LEU  56  19.382 -13.812  -5.419
  438    H    ASP  57           HN       ASP  57  18.482 -12.343  -9.809
  439    HA   ASP  57           HA       ASP  57  18.957  -9.889 -10.941
  440   1HB   ASP  57          HB2       ASP  57  17.089 -12.101 -11.602
  441   2HB   ASP  57          HB1       ASP  57  16.831 -10.540 -12.380
  442    H    GLU  58           HN       GLU  58  15.846 -11.060  -9.731
  443    HA   GLU  58           HA       GLU  58  14.314  -8.803 -10.084
  444   1HB   GLU  58          HB2       GLU  58  14.234 -11.042  -8.101
  445   2HB   GLU  58          HB1       GLU  58  13.141  -9.676  -7.893
  446   1HG   GLU  58          HG2       GLU  58  12.025 -11.431  -9.096
  447   2HG   GLU  58          HG1       GLU  58  12.281 -10.051 -10.163
  448    H    LYS  59           HN       LYS  59  16.455  -9.670  -7.415
  449    HA   LYS  59           HA       LYS  59  15.891  -7.322  -5.967
  450   1HB   LYS  59          HB2       LYS  59  18.382  -8.984  -5.655
  451   2HB   LYS  59          HB1       LYS  59  17.623  -7.969  -4.447
  452   1HG   LYS  59          HG2       LYS  59  15.675  -9.474  -4.409
  453   2HG   LYS  59          HG1       LYS  59  16.479 -10.513  -5.575
  454   1HD   LYS  59          HD2       LYS  59  17.554  -9.863  -2.836
  455   2HD   LYS  59          HD1       LYS  59  16.667 -11.322  -3.242
  456   1HE   LYS  59          HE2       LYS  59  18.382 -12.052  -4.701
  457   2HE   LYS  59          HE1       LYS  59  19.200 -10.491  -4.629
  458   1HZ   LYS  59          HZ1       LYS  59  20.322 -12.110  -3.253
  459   2HZ   LYS  59          HZ2       LYS  59  18.903 -12.414  -2.383
  460   3HZ   LYS  59          HZ3       LYS  59  19.651 -10.901  -2.277
  461    H    MET  60           HN       MET  60  17.970  -8.028  -8.581
  462    HA   MET  60           HA       MET  60  19.655  -5.753  -8.219
  463   1HB   MET  60          HB2       MET  60  19.345  -7.726 -10.480
  464   2HB   MET  60          HB1       MET  60  20.512  -6.407 -10.498
  465   1HG   MET  60          HG2       MET  60  20.428  -8.535  -8.376
  466   2HG   MET  60          HG1       MET  60  21.434  -8.622  -9.821
  467   1HE   MET  60          HE1       MET  60  24.107  -7.860  -7.095
  468   2HE   MET  60          HE2       MET  60  23.575  -8.957  -8.370
  469   3HE   MET  60          HE3       MET  60  22.666  -8.851  -6.863
  470    H    LYS  61           HN       LYS  61  16.723  -6.464  -9.934
  471    HA   LYS  61           HA       LYS  61  16.935  -4.221 -11.751
  472   1HB   LYS  61          HB2       LYS  61  14.257  -5.336 -11.507
  473   2HB   LYS  61          HB1       LYS  61  15.282  -5.178 -12.925
  474   1HG   LYS  61          HG2       LYS  61  16.476  -7.237 -12.216
  475   2HG   LYS  61          HG1       LYS  61  15.306  -7.397 -10.905
  476   1HD   LYS  61          HD2       LYS  61  14.660  -7.367 -13.850
  477   2HD   LYS  61          HD1       LYS  61  14.695  -8.796 -12.815
  478   1HE   LYS  61          HE2       LYS  61  12.899  -7.851 -11.452
  479   2HE   LYS  61          HE1       LYS  61  12.869  -6.418 -12.478
  480   1HZ   LYS  61          HZ1       LYS  61  11.123  -7.968 -13.082
  481   2HZ   LYS  61          HZ2       LYS  61  12.261  -9.189 -13.357
  482   3HZ   LYS  61          HZ3       LYS  61  12.238  -7.817 -14.346
  483    H    THR  62           HN       THR  62  14.269  -5.061  -9.581
  484    HA   THR  62           HA       THR  62  13.040  -2.644  -9.427
  485    HB   THR  62           HB       THR  62  13.417  -4.510  -7.076
  486    HG1  THR  62           HG1      THR  62  12.439  -5.262  -9.219
  487   1HG2  THR  62          HG21      THR  62  11.316  -3.576  -6.259
  488   2HG2  THR  62          HG22      THR  62  11.247  -2.487  -7.643
  489   3HG2  THR  62          HG23      THR  62  12.528  -2.308  -6.444
  490    H    LEU  63           HN       LEU  63  15.985  -3.614  -7.914
  491    HA   LEU  63           HA       LEU  63  16.418  -1.753  -5.961
  492   1HB   LEU  63          HB2       LEU  63  17.876  -3.613  -6.486
  493   2HB   LEU  63          HB1       LEU  63  18.354  -2.861  -7.991
  494    HG   LEU  63           HG       LEU  63  18.853  -1.493  -5.390
  495   1HD1  LEU  63          HD11      LEU  63  20.239  -3.873  -6.498
  496   2HD1  LEU  63          HD12      LEU  63  19.947  -3.416  -4.819
  497   3HD1  LEU  63          HD13      LEU  63  21.214  -2.613  -5.746
  498   1HD2  LEU  63          HD21      LEU  63  20.099  -1.430  -8.128
  499   2HD2  LEU  63          HD22      LEU  63  20.851  -0.685  -6.718
  500   3HD2  LEU  63          HD23      LEU  63  19.282  -0.120  -7.278
  501    H    ASP  64           HN       ASP  64  17.977  -1.343  -9.136
  502    HA   ASP  64           HA       ASP  64  18.395   1.395  -8.851
  503   1HB   ASP  64          HB2       ASP  64  19.574   0.051 -10.521
  504   2HB   ASP  64          HB1       ASP  64  18.070  -0.205 -11.399
  505    H    VAL  65           HN       VAL  65  15.512  -0.316  -9.586
  506    HA   VAL  65           HA       VAL  65  14.187   1.831 -10.933
  507    HB   VAL  65           HB       VAL  65  13.043  -0.677  -9.679
  508   1HG1  VAL  65          HG11      VAL  65  11.074  -0.223 -11.072
  509   2HG1  VAL  65          HG12      VAL  65  11.796   1.299 -11.597
  510   3HG1  VAL  65          HG13      VAL  65  11.351   1.070  -9.904
  511   1HG2  VAL  65          HG21      VAL  65  13.808  -0.027 -12.526
  512   2HG2  VAL  65          HG22      VAL  65  12.953  -1.480 -12.010
  513   3HG2  VAL  65          HG23      VAL  65  14.601  -1.185 -11.458
  514    H    ASN  66           HN       ASN  66  13.101   0.236  -7.927
  515    HA   ASN  66           HA       ASN  66  11.847   2.693  -7.093
  516   1HB   ASN  66          HB2       ASN  66  12.001   0.236  -5.356
  517   2HB   ASN  66          HB1       ASN  66  10.767   1.485  -5.420
  518   1HD2  ASN  66          HD21      ASN  66   9.139  -0.027  -5.648
  519   2HD2  ASN  66          HD22      ASN  66   8.865  -0.871  -7.130
  520    H    GLN  67           HN       GLN  67  14.482   3.346  -7.127
  521    HA   GLN  67           HA       GLN  67  15.723   2.898  -4.599
  522   1HB   GLN  67          HB2       GLN  67  17.143   4.907  -5.252
  523   2HB   GLN  67          HB1       GLN  67  17.279   3.449  -6.208
  524   1HG   GLN  67          HG2       GLN  67  17.314   5.353  -7.632
  525   2HG   GLN  67          HG1       GLN  67  15.851   4.429  -7.886
  526   1HE2  GLN  67          HE21      GLN  67  14.113   5.553  -8.162
  527   2HE2  GLN  67          HE22      GLN  67  13.807   7.099  -7.493
  528    H    ASP  68           HN       ASP  68  13.606   5.256  -5.898
  529    HA   ASP  68           HA       ASP  68  13.831   6.961  -3.589
  530   1HB   ASP  68          HB2       ASP  68  12.348   7.108  -6.179
  531   2HB   ASP  68          HB1       ASP  68  11.839   8.115  -4.826
  532    H    SER  69           HN       SER  69  12.543   4.050  -3.946
  533    HA   SER  69           HA       SER  69   9.942   3.843  -3.294
  534   1HB   SER  69          HB2       SER  69  11.388   1.882  -3.453
  535   2HB   SER  69          HB1       SER  69  12.295   2.417  -2.034
  536    HG   SER  69           HG       SER  69  10.925   1.104  -1.096
  537    H    GLU  70           HN       GLU  70  12.604   4.899  -1.380
  538    HA   GLU  70           HA       GLU  70  10.733   5.879   0.661
  539   1HB   GLU  70          HB2       GLU  70  12.205   4.317   1.724
  540   2HB   GLU  70          HB1       GLU  70  13.606   5.071   0.961
  541   1HG   GLU  70          HG2       GLU  70  13.500   6.952   2.271
  542   2HG   GLU  70          HG1       GLU  70  11.802   6.693   2.686
  543    H    LEU  71           HN       LEU  71  10.865   7.940   1.235
  544    HA   LEU  71           HA       LEU  71  13.012   9.552   0.238
  545   1HB   LEU  71          HB2       LEU  71  11.430  11.173  -0.768
  546   2HB   LEU  71          HB1       LEU  71  11.613   9.650  -1.625
  547    HG   LEU  71           HG       LEU  71   9.297  10.418  -1.511
  548   1HD1  LEU  71          HD11      LEU  71   8.604   8.311  -1.533
  549   2HD1  LEU  71          HD12      LEU  71   9.036   8.075   0.151
  550   3HD1  LEU  71          HD13      LEU  71  10.243   7.896  -1.115
  551   1HD2  LEU  71          HD21      LEU  71   9.709  11.468   0.776
  552   2HD2  LEU  71          HD22      LEU  71   9.261   9.881   1.386
  553   3HD2  LEU  71          HD23      LEU  71   8.122  10.808   0.403
  554    H    ARG  72           HN       ARG  72  12.872  11.783   0.912
  555    HA   ARG  72           HA       ARG  72  11.696  12.048   3.587
  556   1HB   ARG  72          HB2       ARG  72  13.722  13.970   2.598
  557   2HB   ARG  72          HB1       ARG  72  13.510  13.323   4.221
  558   1HG   ARG  72          HG2       ARG  72  14.883  12.080   1.875
  559   2HG   ARG  72          HG1       ARG  72  15.605  12.592   3.394
  560   1HD   ARG  72          HD2       ARG  72  13.820  10.247   2.866
  561   2HD   ARG  72          HD1       ARG  72  15.460  10.248   3.496
  562    HE   ARG  72           HE       ARG  72  14.191  11.597   5.402
  563   1HH1  ARG  72          HH11      ARG  72  13.322   8.636   3.771
  564   2HH1  ARG  72          HH12      ARG  72  12.458   7.997   5.127
  565   1HH2  ARG  72          HH21      ARG  72  13.061  10.752   7.188
  566   2HH2  ARG  72          HH22      ARG  72  12.311   9.196   7.068
  567    H    PHE  73           HN       PHE  73  11.185  12.794   0.407
  568    HA   PHE  73           HA       PHE  73   9.906  15.306   1.054
  569   1HB   PHE  73          HB2       PHE  73  10.694  16.334  -0.943
  570   2HB   PHE  73          HB1       PHE  73  12.073  15.612  -0.138
  571    HD1  PHE  73           HD1      PHE  73  12.230  12.864  -1.097
  572    HD2  PHE  73           HD2      PHE  73  10.979  16.396  -3.143
  573    HE1  PHE  73           HE1      PHE  73  12.777  11.820  -3.252
  574    HE2  PHE  73           HE2      PHE  73  11.565  15.365  -5.281
  575    HZ   PHE  73           HZ       PHE  73  12.472  13.083  -5.344
  576    H    SER  74           HN       SER  74   9.255  15.025  -2.132
  577    HA   SER  74           HA       SER  74   6.754  13.692  -1.558
  578   1HB   SER  74          HB2       SER  74   6.103  14.736  -3.828
  579   2HB   SER  74          HB1       SER  74   6.279  15.796  -2.430
  580    HG   SER  74           HG       SER  74   7.363  16.549  -4.347
  581    H    GLU  75           HN       GLU  75   9.311  12.306  -2.310
  582    HA   GLU  75           HA       GLU  75   8.689  11.087  -4.814
  583   1HB   GLU  75          HB2       GLU  75  10.818  11.044  -2.904
  584   2HB   GLU  75          HB1       GLU  75  10.365   9.393  -3.277
  585   1HG   GLU  75          HG2       GLU  75  11.285  11.506  -5.184
  586   2HG   GLU  75          HG1       GLU  75  12.135  10.050  -4.688
  587    H    TYR  76           HN       TYR  76   7.222  10.880  -1.855
  588    HA   TYR  76           HA       TYR  76   6.919   8.373  -1.068
  589   1HB   TYR  76          HB2       TYR  76   5.045  10.637  -1.090
  590   2HB   TYR  76          HB1       TYR  76   4.386   9.059  -0.679
  591    HD1  TYR  76           HD1      TYR  76   7.196   8.265   0.617
  592    HD2  TYR  76           HD2      TYR  76   4.445  11.468   1.139
  593    HE1  TYR  76           HE1      TYR  76   8.079   8.581   2.784
  594    HE2  TYR  76           HE2      TYR  76   5.343  11.811   3.414
  595    HH   TYR  76           HH       TYR  76   8.221  10.400   4.507
  596    H    TRP  77           HN       TRP  77   5.691   9.493  -4.061
  597    HA   TRP  77           HA       TRP  77   3.802   7.458  -4.489
  598   1HB   TRP  77          HB2       TRP  77   3.984   7.949  -6.850
  599   2HB   TRP  77          HB1       TRP  77   4.054   9.465  -5.960
  600    HD1  TRP  77           HD1      TRP  77   6.535   6.929  -7.503
  601    HE1  TRP  77           HE1      TRP  77   8.569   8.231  -8.370
  602    HE3  TRP  77           HE3      TRP  77   5.168  11.607  -6.018
  603    HZ2  TRP  77           HZ2      TRP  77   9.466  10.924  -8.438
  604    HZ3  TRP  77           HZ3      TRP  77   6.656  13.496  -6.510
  605    HH2  TRP  77           HH2      TRP  77   8.764  13.162  -7.700
  606    H    ARG  78           HN       ARG  78   7.173   7.226  -4.064
  607    HA   ARG  78           HA       ARG  78   7.471   4.974  -5.861
  608   1HB   ARG  78          HB2       ARG  78   9.385   6.436  -4.051
  609   2HB   ARG  78          HB1       ARG  78   9.838   4.914  -4.828
  610   1HG   ARG  78          HG2       ARG  78   8.744   7.218  -6.382
  611   2HG   ARG  78          HG1       ARG  78  10.454   7.079  -6.008
  612   1HD   ARG  78          HD2       ARG  78  10.400   4.806  -7.064
  613   2HD   ARG  78          HD1       ARG  78   8.751   5.161  -7.577
  614    HE   ARG  78           HE       ARG  78  10.512   7.213  -8.411
  615   1HH1  ARG  78          HH11      ARG  78   9.594   3.930  -9.123
  616   2HH1  ARG  78          HH12      ARG  78  10.026   4.035 -10.797
  617   1HH2  ARG  78          HH21      ARG  78  11.087   7.361 -10.612
  618   2HH2  ARG  78          HH22      ARG  78  10.877   5.986 -11.644
  619    H    LEU  79           HN       LEU  79   6.682   5.623  -2.574
  620    HA   LEU  79           HA       LEU  79   7.125   2.976  -1.629
  621   1HB   LEU  79          HB2       LEU  79   4.908   4.458  -0.390
  622   2HB   LEU  79          HB1       LEU  79   6.248   3.627   0.341
  623    HG   LEU  79           HG       LEU  79   6.957   6.215  -0.919
  624   1HD1  LEU  79          HD11      LEU  79   4.657   5.943   0.805
  625   2HD1  LEU  79          HD12      LEU  79   5.339   7.392   0.078
  626   3HD1  LEU  79          HD13      LEU  79   5.933   6.827   1.636
  627   1HD2  LEU  79          HD21      LEU  79   7.512   5.680   1.901
  628   2HD2  LEU  79          HD22      LEU  79   8.607   6.122   0.592
  629   3HD2  LEU  79          HD23      LEU  79   8.130   4.438   0.814
  630    H    ILE  80           HN       ILE  80   4.801   4.543  -3.590
  631    HA   ILE  80           HA       ILE  80   2.459   3.352  -3.101
  632    HB   ILE  80           HB       ILE  80   3.136   5.062  -4.930
  633   1HG1  ILE  80          HG12      ILE  80   0.975   2.991  -5.404
  634   2HG1  ILE  80          HG11      ILE  80   0.820   4.469  -4.459
  635   1HG2  ILE  80          HG21      ILE  80   4.598   3.532  -6.152
  636   2HG2  ILE  80          HG22      ILE  80   3.320   4.205  -7.160
  637   3HG2  ILE  80          HG23      ILE  80   3.198   2.547  -6.571
  638   1HD1  ILE  80          HD11      ILE  80   1.307   4.305  -7.424
  639   2HD1  ILE  80          HD12      ILE  80   1.177   5.792  -6.484
  640   3HD1  ILE  80          HD13      ILE  80  -0.214   4.718  -6.633
  641    H    GLY  81           HN       GLY  81   4.987   1.931  -5.151
  642   1HA   GLY  81          HA2       GLY  81   3.470  -0.501  -5.464
  643   2HA   GLY  81          HA1       GLY  81   5.112  -0.215  -6.024
  644    H    GLU  82           HN       GLU  82   5.242   0.745  -2.936
  645    HA   GLU  82           HA       GLU  82   6.526  -1.716  -2.076
  646   1HB   GLU  82          HB2       GLU  82   6.066   0.852  -0.585
  647   2HB   GLU  82          HB1       GLU  82   7.164  -0.441  -0.108
  648   1HG   GLU  82          HG2       GLU  82   7.417   1.291  -2.556
  649   2HG   GLU  82          HG1       GLU  82   8.404   1.388  -1.097
  650    H    LEU  83           HN       LEU  83   4.165   0.454  -0.560
  651    HA   LEU  83           HA       LEU  83   3.234  -1.200   1.426
  652   1HB   LEU  83          HB2       LEU  83   2.219   1.133  -0.019
  653   2HB   LEU  83          HB1       LEU  83   0.952   0.109   0.627
  654    HG   LEU  83           HG       LEU  83   3.200   1.323   2.224
  655   1HD1  LEU  83          HD11      LEU  83   0.315   1.998   2.562
  656   2HD1  LEU  83          HD12      LEU  83   1.233   2.760   1.266
  657   3HD1  LEU  83          HD13      LEU  83   1.746   2.957   2.940
  658   1HD2  LEU  83          HD21      LEU  83   0.864  -0.405   3.005
  659   2HD2  LEU  83          HD22      LEU  83   1.815   0.530   4.156
  660   3HD2  LEU  83          HD23      LEU  83   2.577  -0.750   3.214
  661    H    ALA  84           HN       ALA  84   2.761  -1.501  -1.971
  662    HA   ALA  84           HA       ALA  84   0.523  -3.216  -1.750
  663   1HB   ALA  84          HB1       ALA  84   0.873  -3.631  -4.129
  664   2HB   ALA  84          HB2       ALA  84   2.426  -2.802  -4.043
  665   3HB   ALA  84          HB3       ALA  84   0.932  -1.906  -3.768
  666    H    LYS  85           HN       LYS  85   4.039  -3.696  -2.024
  667    HA   LYS  85           HA       LYS  85   4.242  -6.326  -2.651
  668   1HB   LYS  85          HB2       LYS  85   5.853  -4.552  -0.972
  669   2HB   LYS  85          HB1       LYS  85   6.031  -6.273  -0.604
  670   1HG   LYS  85          HG2       LYS  85   7.699  -5.770  -2.174
  671   2HG   LYS  85          HG1       LYS  85   6.448  -6.626  -3.068
  672   1HD   LYS  85          HD2       LYS  85   6.727  -4.925  -4.529
  673   2HD   LYS  85          HD1       LYS  85   5.629  -4.092  -3.431
  674   1HE   LYS  85          HE2       LYS  85   7.394  -2.562  -3.733
  675   2HE   LYS  85          HE1       LYS  85   7.756  -3.346  -2.192
  676   1HZ   LYS  85          HZ1       LYS  85   9.040  -4.939  -3.897
  677   2HZ   LYS  85          HZ2       LYS  85   9.753  -3.610  -3.136
  678   3HZ   LYS  85          HZ3       LYS  85   9.169  -3.465  -4.716
  679    H    GLU  86           HN       GLU  86   3.062  -5.046   0.356
  680    HA   GLU  86           HA       GLU  86   3.026  -7.562   1.692
  681   1HB   GLU  86          HB2       GLU  86   1.422  -6.372   3.284
  682   2HB   GLU  86          HB1       GLU  86   3.030  -5.684   3.152
  683   1HG   GLU  86          HG2       GLU  86   2.216  -3.983   1.668
  684   2HG   GLU  86          HG1       GLU  86   0.599  -4.677   1.710
  685    H    VAL  87           HN       VAL  87   0.621  -5.599   0.027
  686    HA   VAL  87           HA       VAL  87  -1.451  -7.572   0.348
  687    HB   VAL  87           HB       VAL  87  -1.322  -4.936  -1.111
  688   1HG1  VAL  87          HG11      VAL  87  -3.641  -5.130  -1.669
  689   2HG1  VAL  87          HG12      VAL  87  -3.732  -6.719  -0.920
  690   3HG1  VAL  87          HG13      VAL  87  -2.768  -6.481  -2.373
  691   1HG2  VAL  87          HG21      VAL  87  -3.040  -4.319   0.577
  692   2HG2  VAL  87          HG22      VAL  87  -1.459  -4.706   1.257
  693   3HG2  VAL  87          HG23      VAL  87  -2.770  -5.883   1.347
  694    H    ARG  88           HN       ARG  88   1.071  -7.040  -1.873
  695    HA   ARG  88           HA       ARG  88  -0.243  -8.097  -4.179
  696   1HB   ARG  88          HB2       ARG  88   1.855  -6.614  -4.099
  697   2HB   ARG  88          HB1       ARG  88   2.736  -8.097  -3.755
  698   1HG   ARG  88          HG2       ARG  88   1.947  -9.062  -5.849
  699   2HG   ARG  88          HG1       ARG  88   1.043  -7.583  -6.188
  700   1HD   ARG  88          HD2       ARG  88   3.147  -7.602  -7.410
  701   2HD   ARG  88          HD1       ARG  88   3.140  -6.314  -6.206
  702    HE   ARG  88           HE       ARG  88   4.327  -8.731  -5.236
  703   1HH1  ARG  88          HH11      ARG  88   4.901  -5.838  -7.088
  704   2HH1  ARG  88          HH12      ARG  88   6.610  -5.839  -6.801
  705   1HH2  ARG  88          HH21      ARG  88   6.575  -8.741  -4.850
  706   2HH2  ARG  88          HH22      ARG  88   7.561  -7.489  -5.528
  707    H    LYS  89           HN       LYS  89   2.432  -9.487  -2.267
  708    HA   LYS  89           HA       LYS  89   2.077 -12.075  -3.338
  709   1HB   LYS  89          HB2       LYS  89   3.845 -12.698  -2.015
  710   2HB   LYS  89          HB1       LYS  89   4.074 -10.961  -1.958
  711   1HG   LYS  89          HG2       LYS  89   4.341 -11.544   0.261
  712   2HG   LYS  89          HG1       LYS  89   2.616 -11.115   0.201
  713   1HD   LYS  89          HD2       LYS  89   2.217 -13.613  -0.282
  714   2HD   LYS  89          HD1       LYS  89   3.865 -13.847   0.281
  715   1HE   LYS  89          HE2       LYS  89   3.316 -12.891   2.416
  716   2HE   LYS  89          HE1       LYS  89   1.696 -12.482   1.861
  717   1HZ   LYS  89          HZ1       LYS  89   2.716 -15.261   1.973
  718   2HZ   LYS  89          HZ2       LYS  89   1.118 -14.754   1.764
  719   3HZ   LYS  89          HZ3       LYS  89   1.883 -14.536   3.255
  720    H    GLU  90           HN       GLU  90   0.677 -10.362  -0.660
  721    HA   GLU  90           HA       GLU  90  -0.543 -12.603   0.576
  722   1HB   GLU  90          HB2       GLU  90  -0.923  -9.629   0.792
  723   2HB   GLU  90          HB1       GLU  90  -2.014 -10.744   1.615
  724   1HG   GLU  90          HG2       GLU  90  -0.044 -11.751   2.728
  725   2HG   GLU  90          HG1       GLU  90   0.959 -10.513   1.972
  726    H    LYS  91           HN       LYS  91  -1.217 -11.028  -2.335
  727    HA   LYS  91           HA       LYS  91  -3.974 -10.971  -2.458
  728   1HB   LYS  91          HB2       LYS  91  -3.794 -10.924  -4.787
  729   2HB   LYS  91          HB1       LYS  91  -2.310 -10.189  -4.212
  730   1HG   LYS  91          HG2       LYS  91  -1.111 -12.274  -4.625
  731   2HG   LYS  91          HG1       LYS  91  -2.610 -13.026  -5.177
  732   1HD   LYS  91          HD2       LYS  91  -2.771 -11.388  -6.987
  733   2HD   LYS  91          HD1       LYS  91  -1.273 -10.633  -6.437
  734   1HE   LYS  91          HE2       LYS  91  -0.042 -12.669  -6.903
  735   2HE   LYS  91          HE1       LYS  91  -1.532 -13.493  -7.361
  736   1HZ   LYS  91          HZ1       LYS  91  -0.386 -11.135  -8.756
  737   2HZ   LYS  91          HZ2       LYS  91  -1.777 -11.981  -9.212
  738   3HZ   LYS  91          HZ3       LYS  91  -0.265 -12.736  -9.289
  739    H    ALA  92           HN       ALA  92  -1.803 -13.626  -3.232
  740    HA   ALA  92           HA       ALA  92  -3.962 -15.499  -3.629
  741   1HB   ALA  92          HB1       ALA  92  -1.916 -17.116  -3.724
  742   2HB   ALA  92          HB2       ALA  92  -0.980 -15.617  -3.798
  743   3HB   ALA  92          HB3       ALA  92  -2.194 -15.967  -5.032
  744    H    LEU  93           HN       LEU  93  -1.982 -14.530  -0.958
  745    HA   LEU  93           HA       LEU  93  -2.448 -16.970   0.531
  746   1HB   LEU  93          HB2       LEU  93  -0.437 -15.442   0.841
  747   2HB   LEU  93          HB1       LEU  93  -1.530 -14.334   1.657
  748    HG   LEU  93           HG       LEU  93  -2.058 -16.695   2.945
  749   1HD1  LEU  93          HD11      LEU  93   0.120 -17.635   3.561
  750   2HD1  LEU  93          HD12      LEU  93   0.902 -16.589   2.376
  751   3HD1  LEU  93          HD13      LEU  93  -0.227 -17.835   1.845
  752   1HD2  LEU  93          HD21      LEU  93  -1.748 -14.466   3.943
  753   2HD2  LEU  93          HD22      LEU  93  -0.005 -14.619   3.722
  754   3HD2  LEU  93          HD23      LEU  93  -0.855 -15.714   4.813
  755    H    GLY  94           HN       GLY  94  -4.012 -13.894   0.135
  756   1HA   GLY  94          HA2       GLY  94  -5.514 -13.677   2.434
  757   2HA   GLY  94          HA1       GLY  94  -6.098 -13.209   0.847
  758    H    ILE  95           HN       ILE  95  -6.226 -15.643  -0.397
  759    HA   ILE  95           HA       ILE  95  -8.675 -16.646   0.622
  760    HB   ILE  95           HB       ILE  95  -8.088 -16.716  -1.770
  761   1HG1  ILE  95          HG12      ILE  95  -8.556 -19.434  -0.522
  762   2HG1  ILE  95          HG11      ILE  95  -9.796 -18.261  -0.946
  763   1HG2  ILE  95          HG21      ILE  95  -5.681 -17.551  -0.929
  764   2HG2  ILE  95          HG22      ILE  95  -6.265 -17.669  -2.592
  765   3HG2  ILE  95          HG23      ILE  95  -6.380 -19.064  -1.516
  766   1HD1  ILE  95          HD11      ILE  95  -9.689 -20.036  -2.582
  767   2HD1  ILE  95          HD12      ILE  95  -7.982 -19.697  -2.868
  768   3HD1  ILE  95          HD13      ILE  95  -9.204 -18.503  -3.305
  769    H    ARG  96           HN       ARG  96  -7.538 -16.909   2.833
  770    HA   ARG  96           HA       ARG  96  -5.725 -19.006   3.281
  771   1HB   ARG  96          HB2       ARG  96  -7.871 -18.088   5.206
  772   2HB   ARG  96          HB1       ARG  96  -6.345 -18.870   5.597
  773   1HG   ARG  96          HG2       ARG  96  -6.548 -16.160   4.316
  774   2HG   ARG  96          HG1       ARG  96  -6.398 -16.430   6.053
  775   1HD   ARG  96          HD2       ARG  96  -4.276 -17.540   5.736
  776   2HD   ARG  96          HD1       ARG  96  -4.436 -17.411   3.987
  777    HE   ARG  96           HE       ARG  96  -3.790 -15.206   4.110
  778   1HH1  ARG  96          HH11      ARG  96  -4.447 -16.419   7.309
  779   2HH1  ARG  96          HH12      ARG  96  -3.750 -15.052   8.111
  780   1HH2  ARG  96          HH21      ARG  96  -2.873 -13.400   5.156
  781   2HH2  ARG  96          HH22      ARG  96  -2.856 -13.334   6.886
  782    H    LYS  97           HN       LYS  97  -9.133 -18.873   2.794
  783    HA   LYS  97           HA       LYS  97  -9.617 -21.621   3.493
  784   1HB   LYS  97          HB2       LYS  97 -11.895 -21.144   2.667
  785   2HB   LYS  97          HB1       LYS  97 -11.358 -19.962   3.851
  786   1HG   LYS  97          HG2       LYS  97 -10.646 -18.577   1.715
  787   2HG   LYS  97          HG1       LYS  97 -11.836 -19.635   0.928
  788   1HD   LYS  97          HD2       LYS  97 -13.356 -18.150   1.612
  789   2HD   LYS  97          HD1       LYS  97 -13.132 -18.845   3.219
  790   1HE   LYS  97          HE2       LYS  97 -11.333 -17.200   3.630
  791   2HE   LYS  97          HE1       LYS  97 -11.679 -16.475   2.060
  792   1HZ   LYS  97          HZ1       LYS  97 -12.738 -15.317   3.941
  793   2HZ   LYS  97          HZ2       LYS  97 -13.656 -16.702   4.259
  794   3HZ   LYS  97          HZ3       LYS  97 -13.846 -15.878   2.795
  795    H    LYS  98           HN       LYS  98  -8.079 -22.616   2.086
  796    HA   LYS  98           HA       LYS  98  -8.764 -22.509  -0.772
  797   1HB   LYS  98          HB2       LYS  98  -6.244 -23.614   0.478
  798   2HB   LYS  98          HB1       LYS  98  -6.540 -23.319  -1.229
  799   1HG   LYS  98          HG2       LYS  98  -6.751 -20.882  -0.679
  800   2HG   LYS  98          HG1       LYS  98  -6.195 -21.266   0.952
  801   1HD   LYS  98          HD2       LYS  98  -4.160 -22.295  -0.082
  802   2HD   LYS  98          HD1       LYS  98  -4.699 -21.651  -1.635
  803   1HE   LYS  98          HE2       LYS  98  -4.708 -19.376  -0.613
  804   2HE   LYS  98          HE1       LYS  98  -4.005 -20.080   0.843
  805   1HZ   LYS  98          HZ1       LYS  98  -2.102 -20.797  -0.468
  806   2HZ   LYS  98          HZ2       LYS  98  -2.305 -19.121  -0.572
  807   3HZ   LYS  98          HZ3       LYS  98  -2.775 -20.111  -1.860
  808   1H    MET   1          HT1       MET   1  17.084  -3.686  -2.521
  809   2H    MET   1          HT2       MET   1  17.251  -3.619  -4.202
  810   3H    MET   1          HT3       MET   1  18.476  -4.299  -3.261
  811    HA   MET   1           HA       MET   1  17.356  -6.094  -4.201
  812   1HB   MET   1          HB2       MET   1  16.782  -5.545  -1.333
  813   2HB   MET   1          HB1       MET   1  15.944  -6.862  -2.086
  814   1HG   MET   1          HG2       MET   1  18.172  -7.235  -0.836
  815   2HG   MET   1          HG1       MET   1  17.808  -8.129  -2.296
  816   1HE   MET   1          HE1       MET   1  20.143  -8.887  -2.679
  817   2HE   MET   1          HE2       MET   1  20.877  -8.047  -1.313
  818   3HE   MET   1          HE3       MET   1  21.554  -7.860  -2.931
  819    H    ALA   2           HN       ALA   2  15.231  -7.368  -4.162
  820    HA   ALA   2           HA       ALA   2  13.044  -5.514  -4.791
  821   1HB   ALA   2          HB1       ALA   2  12.272  -7.657  -6.152
  822   2HB   ALA   2          HB2       ALA   2  14.011  -7.953  -6.161
  823   3HB   ALA   2          HB3       ALA   2  13.365  -6.451  -6.825
  824    H    ALA   3           HN       ALA   3  11.590  -5.490  -3.218
  825    HA   ALA   3           HA       ALA   3  11.234  -7.580  -1.320
  826   1HB   ALA   3          HB1       ALA   3   9.516  -5.214  -2.041
  827   2HB   ALA   3          HB2       ALA   3  10.698  -5.316  -0.746
  828   3HB   ALA   3          HB3       ALA   3   9.223  -6.278  -0.671
  829    H    GLU   4           HN       GLU   4  10.847  -9.486  -2.481
  830    HA   GLU   4           HA       GLU   4   8.863  -9.722  -4.493
  831   1HB   GLU   4          HB2       GLU   4  10.173 -11.844  -2.791
  832   2HB   GLU   4          HB1       GLU   4   9.216 -12.150  -4.237
  833   1HG   GLU   4          HG2       GLU   4  11.866 -10.763  -4.012
  834   2HG   GLU   4          HG1       GLU   4  11.484 -12.265  -4.856
  835    H    THR   5           HN       THR   5   8.797 -11.608  -1.462
  836    HA   THR   5           HA       THR   5   5.964 -11.626  -1.424
  837    HB   THR   5           HB       THR   5   7.541 -13.348  -0.392
  838    HG1  THR   5           HG1      THR   5   5.817 -13.996   0.671
  839   1HG2  THR   5          HG21      THR   5   7.366 -11.996   2.164
  840   2HG2  THR   5          HG22      THR   5   8.389 -11.163   1.000
  841   3HG2  THR   5          HG23      THR   5   8.727 -12.837   1.422
  842    H    LEU   6           HN       LEU   6   5.771 -11.094   1.542
  843    HA   LEU   6           HA       LEU   6   5.223  -8.294   1.315
  844   1HB   LEU   6          HB2       LEU   6   5.123  -9.184   4.041
  845   2HB   LEU   6          HB1       LEU   6   3.845  -8.589   3.018
  846    HG   LEU   6           HG       LEU   6   3.905 -11.004   2.073
  847   1HD1  LEU   6          HD11      LEU   6   5.144 -11.268   4.809
  848   2HD1  LEU   6          HD12      LEU   6   5.797 -11.852   3.283
  849   3HD1  LEU   6          HD13      LEU   6   4.364 -12.607   3.974
  850   1HD2  LEU   6          HD21      LEU   6   2.088  -9.774   3.333
  851   2HD2  LEU   6          HD22      LEU   6   2.725 -10.521   4.797
  852   3HD2  LEU   6          HD23      LEU   6   2.083 -11.529   3.501
  853    H    THR   7           HN       THR   7   6.642  -6.708   1.679
  854    HA   THR   7           HA       THR   7   9.127  -7.264   3.077
  855    HB   THR   7           HB       THR   7   8.900  -4.477   2.599
  856    HG1  THR   7           HG1      THR   7   8.499  -4.597   0.277
  857   1HG2  THR   7          HG21      THR   7  10.937  -5.930   2.491
  858   2HG2  THR   7          HG22      THR   7  10.770  -4.817   1.135
  859   3HG2  THR   7          HG23      THR   7  10.377  -6.529   0.923
  860    H    GLU   8           HN       GLU   8   9.786  -5.294   4.665
  861    HA   GLU   8           HA       GLU   8   8.563  -5.663   7.042
  862   1HB   GLU   8          HB2       GLU   8   9.434  -2.884   6.316
  863   2HB   GLU   8          HB1       GLU   8   9.569  -3.699   7.864
  864   1HG   GLU   8          HG2       GLU   8  11.194  -4.185   5.385
  865   2HG   GLU   8          HG1       GLU   8  11.741  -3.547   6.934
  866    H    LEU   9           HN       LEU   9   7.389  -3.620   4.498
  867    HA   LEU   9           HA       LEU   9   5.512  -2.091   5.832
  868   1HB   LEU   9          HB2       LEU   9   4.243  -2.292   3.567
  869   2HB   LEU   9          HB1       LEU   9   5.794  -1.469   3.654
  870    HG   LEU   9           HG       LEU   9   6.251  -4.234   3.104
  871   1HD1  LEU   9          HD11      LEU   9   4.179  -2.887   1.404
  872   2HD1  LEU   9          HD12      LEU   9   4.098  -4.462   2.184
  873   3HD1  LEU   9          HD13      LEU   9   5.179  -4.213   0.818
  874   1HD2  LEU   9          HD21      LEU   9   7.854  -2.625   2.532
  875   2HD2  LEU   9          HD22      LEU   9   6.678  -1.640   1.663
  876   3HD2  LEU   9          HD23      LEU   9   7.197  -3.190   0.996
  877    H    GLU  10           HN       GLU  10   5.362  -5.518   5.120
  878    HA   GLU  10           HA       GLU  10   2.631  -5.954   5.073
  879   1HB   GLU  10          HB2       GLU  10   3.301  -8.100   6.494
  880   2HB   GLU  10          HB1       GLU  10   3.675  -7.953   4.782
  881   1HG   GLU  10          HG2       GLU  10   5.882  -7.936   5.172
  882   2HG   GLU  10          HG1       GLU  10   5.723  -6.823   6.522
  883    H    ALA  11           HN       ALA  11   4.754  -5.425   7.859
  884    HA   ALA  11           HA       ALA  11   2.965  -5.924   9.924
  885   1HB   ALA  11          HB1       ALA  11   4.295  -4.357  11.265
  886   2HB   ALA  11          HB2       ALA  11   5.060  -3.749   9.798
  887   3HB   ALA  11          HB3       ALA  11   5.333  -5.415  10.308
  888    H    ALA  12           HN       ALA  12   3.176  -3.317   7.659
  889    HA   ALA  12           HA       ALA  12   1.339  -1.580   8.998
  890   1HB   ALA  12          HB1       ALA  12   2.007  -1.591   6.058
  891   2HB   ALA  12          HB2       ALA  12   3.029  -0.845   7.287
  892   3HB   ALA  12          HB3       ALA  12   1.392  -0.247   7.021
  893    H    ILE  13           HN       ILE  13   1.116  -4.192   6.689
  894    HA   ILE  13           HA       ILE  13  -1.433  -3.836   5.712
  895    HB   ILE  13           HB       ILE  13   0.351  -5.711   5.227
  896   1HG1  ILE  13          HG12      ILE  13  -1.700  -5.225   3.933
  897   2HG1  ILE  13          HG11      ILE  13  -1.337  -6.948   3.997
  898   1HG2  ILE  13          HG21      ILE  13  -0.280  -6.679   7.623
  899   2HG2  ILE  13          HG22      ILE  13   0.194  -7.719   6.281
  900   3HG2  ILE  13          HG23      ILE  13  -1.512  -7.506   6.672
  901   1HD1  ILE  13          HD11      ILE  13  -3.521  -5.421   5.344
  902   2HD1  ILE  13          HD12      ILE  13  -2.982  -6.973   5.986
  903   3HD1  ILE  13          HD13      ILE  13  -3.618  -6.870   4.344
  904    H    GLU  14           HN       GLU  14  -0.368  -4.750   8.863
  905    HA   GLU  14           HA       GLU  14  -2.688  -5.968   9.866
  906   1HB   GLU  14          HB2       GLU  14  -0.588  -4.360  11.330
  907   2HB   GLU  14          HB1       GLU  14  -1.772  -5.415  12.089
  908   1HG   GLU  14          HG2       GLU  14  -0.807  -7.333  10.915
  909   2HG   GLU  14          HG1       GLU  14   0.391  -6.270  10.178
  910    H    THR  15           HN       THR  15  -1.782  -2.572   9.528
  911    HA   THR  15           HA       THR  15  -3.983  -1.641  11.060
  912    HB   THR  15           HB       THR  15  -2.270  -0.109   9.126
  913    HG1  THR  15           HG1      THR  15  -1.273   0.516  11.284
  914   1HG2  THR  15          HG21      THR  15  -2.925   1.841  10.490
  915   2HG2  THR  15          HG22      THR  15  -3.979   0.799  11.448
  916   3HG2  THR  15          HG23      THR  15  -4.316   1.062   9.736
  917    H    VAL  16           HN       VAL  16  -3.060  -1.168   7.707
  918    HA   VAL  16           HA       VAL  16  -5.369  -0.127   6.673
  919    HB   VAL  16           HB       VAL  16  -3.188  -0.335   5.511
  920   1HG1  VAL  16          HG11      VAL  16  -3.989  -3.089   4.659
  921   2HG1  VAL  16          HG12      VAL  16  -3.079  -2.848   6.150
  922   3HG1  VAL  16          HG13      VAL  16  -2.405  -2.315   4.613
  923   1HG2  VAL  16          HG21      VAL  16  -4.364   0.214   3.712
  924   2HG2  VAL  16          HG22      VAL  16  -5.801  -0.536   4.406
  925   3HG2  VAL  16          HG23      VAL  16  -4.698  -1.485   3.413
  926    H    VAL  17           HN       VAL  17  -4.769  -3.431   7.587
  927    HA   VAL  17           HA       VAL  17  -6.942  -4.502   6.047
  928    HB   VAL  17           HB       VAL  17  -4.956  -5.867   6.586
  929   1HG1  VAL  17          HG11      VAL  17  -6.081  -5.996   9.375
  930   2HG1  VAL  17          HG12      VAL  17  -4.710  -5.000   8.906
  931   3HG1  VAL  17          HG13      VAL  17  -4.604  -6.752   8.776
  932   1HG2  VAL  17          HG21      VAL  17  -7.573  -6.942   7.632
  933   2HG2  VAL  17          HG22      VAL  17  -6.190  -7.913   7.127
  934   3HG2  VAL  17          HG23      VAL  17  -7.055  -6.928   5.946
  935    H    SER  18           HN       SER  18  -6.358  -3.672   9.430
  936    HA   SER  18           HA       SER  18  -8.973  -4.553  10.249
  937   1HB   SER  18          HB2       SER  18  -6.836  -3.014  11.738
  938   2HB   SER  18          HB1       SER  18  -8.327  -3.617  12.463
  939    HG   SER  18           HG       SER  18  -6.024  -4.942  11.874
  940    H    THR  19           HN       THR  19  -7.689  -1.668   8.935
  941    HA   THR  19           HA       THR  19  -9.710   0.021  10.119
  942    HB   THR  19           HB       THR  19  -8.781   1.830   8.746
  943    HG1  THR  19           HG1      THR  19  -7.263  -0.298   7.640
  944   1HG2  THR  19          HG21      THR  19  -6.512   1.859   9.730
  945   2HG2  THR  19          HG22      THR  19  -6.710   0.166  10.180
  946   3HG2  THR  19          HG23      THR  19  -7.751   1.396  10.895
  947    H    PHE  20           HN       PHE  20  -8.899   0.040   6.700
  948    HA   PHE  20           HA       PHE  20 -11.646   0.433   6.003
  949   1HB   PHE  20          HB2       PHE  20 -10.091   1.800   4.887
  950   2HB   PHE  20          HB1       PHE  20  -9.026   0.447   4.547
  951    HD1  PHE  20           HD1      PHE  20  -8.794   0.922   2.264
  952    HD2  PHE  20           HD2      PHE  20 -12.642   0.323   3.941
  953    HE1  PHE  20           HE1      PHE  20  -9.738   0.746   0.004
  954    HE2  PHE  20           HE2      PHE  20 -13.605   0.143   1.681
  955    HZ   PHE  20           HZ       PHE  20 -12.142   0.350  -0.283
  956    H    PHE  21           HN       PHE  21  -9.389  -2.198   5.885
  957    HA   PHE  21           HA       PHE  21 -11.045  -3.612   4.095
  958   1HB   PHE  21          HB2       PHE  21  -8.701  -4.655   5.625
  959   2HB   PHE  21          HB1       PHE  21  -9.451  -5.414   4.228
  960    HD1  PHE  21           HD1      PHE  21  -6.646  -4.945   4.191
  961    HD2  PHE  21           HD2      PHE  21  -9.810  -2.240   3.242
  962    HE1  PHE  21           HE1      PHE  21  -5.132  -3.669   2.784
  963    HE2  PHE  21           HE2      PHE  21  -8.267  -0.984   1.803
  964    HZ   PHE  21           HZ       PHE  21  -5.931  -1.681   1.566
  965    H    THR  22           HN       THR  22 -11.588  -2.902   7.144
  966    HA   THR  22           HA       THR  22 -12.799  -5.424   7.867
  967    HB   THR  22           HB       THR  22 -13.698  -4.190   9.819
  968    HG1  THR  22           HG1      THR  22 -13.488  -2.127   8.456
  969   1HG2  THR  22          HG21      THR  22 -10.744  -3.895   9.315
  970   2HG2  THR  22          HG22      THR  22 -11.552  -5.328   9.950
  971   3HG2  THR  22          HG23      THR  22 -11.523  -3.842  10.897
  972    H    PHE  23           HN       PHE  23 -13.512  -3.283   5.578
  973    HA   PHE  23           HA       PHE  23 -16.167  -2.477   6.007
  974   1HB   PHE  23          HB2       PHE  23 -14.408  -2.707   3.600
  975   2HB   PHE  23          HB1       PHE  23 -16.090  -2.295   3.428
  976    HD1  PHE  23           HD1      PHE  23 -15.716  -0.146   2.501
  977    HD2  PHE  23           HD2      PHE  23 -14.072  -1.239   6.267
  978    HE1  PHE  23           HE1      PHE  23 -15.231   2.207   2.971
  979    HE2  PHE  23           HE2      PHE  23 -13.602   1.100   6.760
  980    HZ   PHE  23           HZ       PHE  23 -14.171   2.854   5.109
  981    H    ALA  24           HN       ALA  24 -14.982  -5.562   5.336
  982    HA   ALA  24           HA       ALA  24 -16.936  -6.567   3.571
  983   1HB   ALA  24          HB1       ALA  24 -14.992  -7.755   5.489
  984   2HB   ALA  24          HB2       ALA  24 -15.170  -8.002   3.751
  985   3HB   ALA  24          HB3       ALA  24 -16.288  -8.780   4.872
  986    H    GLY  25           HN       GLY  25 -17.240  -5.482   6.793
  987   1HA   GLY  25          HA2       GLY  25 -18.975  -7.155   8.059
  988   2HA   GLY  25          HA1       GLY  25 -19.128  -5.406   8.125
  989    H    ARG  26           HN       ARG  26 -19.644  -5.283   5.198
  990    HA   ARG  26           HA       ARG  26 -22.442  -5.323   5.233
  991   1HB   ARG  26          HB2       ARG  26 -20.622  -5.483   2.814
  992   2HB   ARG  26          HB1       ARG  26 -22.311  -4.994   2.814
  993   1HG   ARG  26          HG2       ARG  26 -20.376  -3.524   4.518
  994   2HG   ARG  26          HG1       ARG  26 -20.408  -3.222   2.778
  995   1HD   ARG  26          HD2       ARG  26 -21.865  -1.640   3.753
  996   2HD   ARG  26          HD1       ARG  26 -22.878  -2.877   3.007
  997    HE   ARG  26           HE       ARG  26 -22.380  -3.435   5.753
  998   1HH1  ARG  26          HH11      ARG  26 -24.310  -1.501   3.597
  999   2HH1  ARG  26          HH12      ARG  26 -25.620  -1.324   4.716
 1000   1HH2  ARG  26          HH21      ARG  26 -24.097  -3.209   7.239
 1001   2HH2  ARG  26          HH22      ARG  26 -25.498  -2.294   6.789
 1002    H    GLU  27           HN       GLU  27 -20.255  -7.446   3.410
 1003    HA   GLU  27           HA       GLU  27 -22.347  -9.529   3.555
 1004   1HB   GLU  27          HB2       GLU  27 -21.303 -10.471   1.487
 1005   2HB   GLU  27          HB1       GLU  27 -22.039  -8.888   1.278
 1006   1HG   GLU  27          HG2       GLU  27 -19.892  -7.821   1.290
 1007   2HG   GLU  27          HG1       GLU  27 -19.094  -9.340   1.704
 1008    H    GLY  28           HN       GLY  28 -21.890 -11.009   5.028
 1009   1HA   GLY  28          HA2       GLY  28 -19.092 -11.700   5.580
 1010   2HA   GLY  28          HA1       GLY  28 -20.475 -12.116   6.581
 1011    H    ARG  29           HN       ARG  29 -18.351 -13.140   4.147
 1012    HA   ARG  29           HA       ARG  29 -19.636 -15.745   4.080
 1013   1HB   ARG  29          HB2       ARG  29 -19.599 -15.846   1.622
 1014   2HB   ARG  29          HB1       ARG  29 -20.644 -14.548   2.189
 1015   1HG   ARG  29          HG2       ARG  29 -19.306 -12.918   1.367
 1016   2HG   ARG  29          HG1       ARG  29 -17.827 -13.840   1.644
 1017   1HD   ARG  29          HD2       ARG  29 -18.118 -13.631  -0.704
 1018   2HD   ARG  29          HD1       ARG  29 -18.478 -15.303  -0.270
 1019    HE   ARG  29           HE       ARG  29 -20.836 -13.711  -0.306
 1020   1HH1  ARG  29          HH11      ARG  29 -18.563 -15.357  -2.367
 1021   2HH1  ARG  29          HH12      ARG  29 -19.706 -15.611  -3.643
 1022   1HH2  ARG  29          HH21      ARG  29 -22.350 -14.040  -1.979
 1023   2HH2  ARG  29          HH22      ARG  29 -21.859 -14.862  -3.422
 1024    H    LYS  30           HN       LYS  30 -18.173 -17.014   2.200
 1025    HA   LYS  30           HA       LYS  30 -15.446 -16.783   3.234
 1026   1HB   LYS  30          HB2       LYS  30 -15.090 -19.024   2.260
 1027   2HB   LYS  30          HB1       LYS  30 -16.413 -19.004   3.423
 1028   1HG   LYS  30          HG2       LYS  30 -18.023 -18.927   1.579
 1029   2HG   LYS  30          HG1       LYS  30 -16.689 -18.964   0.425
 1030   1HD   LYS  30          HD2       LYS  30 -17.605 -21.186   0.662
 1031   2HD   LYS  30          HD1       LYS  30 -15.985 -21.142   1.363
 1032   1HE   LYS  30          HE2       LYS  30 -17.498 -22.380   2.803
 1033   2HE   LYS  30          HE1       LYS  30 -16.969 -20.898   3.596
 1034   1HZ   LYS  30          HZ1       LYS  30 -19.568 -21.272   2.209
 1035   2HZ   LYS  30          HZ2       LYS  30 -19.061 -19.862   2.991
 1036   3HZ   LYS  30          HZ3       LYS  30 -19.339 -21.269   3.886
 1037    H    GLY  31           HN       GLY  31 -16.171 -14.808   1.495
 1038   1HA   GLY  31          HA2       GLY  31 -14.456 -15.380  -0.804
 1039   2HA   GLY  31          HA1       GLY  31 -16.068 -14.723  -1.097
 1040    H    SER  32           HN       SER  32 -16.250 -12.564  -1.159
 1041    HA   SER  32           HA       SER  32 -14.381 -10.980   0.392
 1042   1HB   SER  32          HB2       SER  32 -13.815  -9.560  -1.547
 1043   2HB   SER  32          HB1       SER  32 -13.185 -11.200  -1.618
 1044    HG   SER  32           HG       SER  32 -15.074  -9.964  -3.210
 1045    H    LEU  33           HN       LEU  33 -14.630  -8.639  -0.058
 1046    HA   LEU  33           HA       LEU  33 -17.416  -7.933   0.292
 1047   1HB   LEU  33          HB2       LEU  33 -15.985  -7.227   2.063
 1048   2HB   LEU  33          HB1       LEU  33 -14.843  -6.542   0.927
 1049    HG   LEU  33           HG       LEU  33 -16.604  -4.901   0.260
 1050   1HD1  LEU  33          HD11      LEU  33 -18.068  -5.238   2.756
 1051   2HD1  LEU  33          HD12      LEU  33 -18.313  -6.542   1.597
 1052   3HD1  LEU  33          HD13      LEU  33 -18.657  -4.875   1.135
 1053   1HD2  LEU  33          HD21      LEU  33 -16.484  -3.749   2.579
 1054   2HD2  LEU  33          HD22      LEU  33 -15.067  -3.893   1.544
 1055   3HD2  LEU  33          HD23      LEU  33 -15.302  -5.011   2.885
 1056    H    ASN  34           HN       ASN  34 -18.153  -5.841  -0.657
 1057    HA   ASN  34           HA       ASN  34 -17.204  -5.538  -3.371
 1058   1HB   ASN  34          HB2       ASN  34 -19.783  -5.313  -1.860
 1059   2HB   ASN  34          HB1       ASN  34 -19.617  -4.405  -3.364
 1060   1HD2  ASN  34          HD21      ASN  34 -21.181  -5.567  -4.427
 1061   2HD2  ASN  34          HD22      ASN  34 -20.954  -7.208  -4.919
 1062    H    ILE  35           HN       ILE  35 -18.580  -3.004  -3.504
 1063    HA   ILE  35           HA       ILE  35 -16.721  -1.402  -1.948
 1064    HB   ILE  35           HB       ILE  35 -17.626   0.505  -3.502
 1065   1HG1  ILE  35          HG12      ILE  35 -18.198  -0.304  -5.731
 1066   2HG1  ILE  35          HG11      ILE  35 -18.099  -1.964  -5.159
 1067   1HG2  ILE  35          HG21      ILE  35 -15.838  -1.039  -5.150
 1068   2HG2  ILE  35          HG22      ILE  35 -15.335  -1.038  -3.462
 1069   3HG2  ILE  35          HG23      ILE  35 -15.576   0.486  -4.312
 1070   1HD1  ILE  35          HD11      ILE  35 -20.409  -1.116  -5.292
 1071   2HD1  ILE  35          HD12      ILE  35 -19.992   0.089  -4.069
 1072   3HD1  ILE  35          HD13      ILE  35 -19.939  -1.625  -3.668
 1073    H    ASN  36           HN       ASN  36 -19.615  -2.469  -1.374
 1074    HA   ASN  36           HA       ASN  36 -21.407  -0.399  -1.087
 1075   1HB   ASN  36          HB2       ASN  36 -21.903  -2.782  -0.527
 1076   2HB   ASN  36          HB1       ASN  36 -20.945  -2.598   0.943
 1077   1HD2  ASN  36          HD21      ASN  36 -23.786  -3.239   0.567
 1078   2HD2  ASN  36          HD22      ASN  36 -24.657  -2.050   1.468
 1079    H    GLU  37           HN       GLU  37 -19.372  -1.575   1.593
 1080    HA   GLU  37           HA       GLU  37 -19.620   0.815   3.051
 1081   1HB   GLU  37          HB2       GLU  37 -17.289  -1.052   3.038
 1082   2HB   GLU  37          HB1       GLU  37 -17.676   0.120   4.294
 1083   1HG   GLU  37          HG2       GLU  37 -19.948  -1.293   4.238
 1084   2HG   GLU  37          HG1       GLU  37 -18.817  -2.541   3.684
 1085    H    PHE  38           HN       PHE  38 -17.324  -0.180   0.546
 1086    HA   PHE  38           HA       PHE  38 -15.404   1.731   0.715
 1087   1HB   PHE  38          HB2       PHE  38 -15.878  -0.110  -1.049
 1088   2HB   PHE  38          HB1       PHE  38 -16.675   1.174  -1.942
 1089    HD1  PHE  38           HD1      PHE  38 -13.910  -0.658  -1.948
 1090    HD2  PHE  38           HD2      PHE  38 -14.982   3.447  -1.742
 1091    HE1  PHE  38           HE1      PHE  38 -11.730  -0.047  -2.917
 1092    HE2  PHE  38           HE2      PHE  38 -12.804   4.071  -2.703
 1093    HZ   PHE  38           HZ       PHE  38 -11.176   2.322  -3.295
 1094    H    LYS  39           HN       LYS  39 -18.726   2.137  -0.292
 1095    HA   LYS  39           HA       LYS  39 -18.498   4.698  -1.404
 1096   1HB   LYS  39          HB2       LYS  39 -20.909   3.612   0.012
 1097   2HB   LYS  39          HB1       LYS  39 -20.874   4.827  -1.262
 1098   1HG   LYS  39          HG2       LYS  39 -19.812   3.054  -2.716
 1099   2HG   LYS  39          HG1       LYS  39 -20.273   1.916  -1.454
 1100   1HD   LYS  39          HD2       LYS  39 -22.632   2.815  -1.704
 1101   2HD   LYS  39          HD1       LYS  39 -22.060   3.658  -3.143
 1102   1HE   LYS  39          HE2       LYS  39 -21.338   1.476  -4.073
 1103   2HE   LYS  39          HE1       LYS  39 -22.073   0.681  -2.681
 1104   1HZ   LYS  39          HZ1       LYS  39 -23.492   2.350  -4.687
 1105   2HZ   LYS  39          HZ2       LYS  39 -24.209   1.627  -3.336
 1106   3HZ   LYS  39          HZ3       LYS  39 -23.563   0.664  -4.568
 1107    H    GLU  40           HN       GLU  40 -18.376   3.664   1.805
 1108    HA   GLU  40           HA       GLU  40 -19.044   6.188   2.986
 1109   1HB   GLU  40          HB2       GLU  40 -18.863   5.124   5.032
 1110   2HB   GLU  40          HB1       GLU  40 -19.223   3.746   4.003
 1111   1HG   GLU  40          HG2       GLU  40 -16.899   3.076   4.004
 1112   2HG   GLU  40          HG1       GLU  40 -16.443   4.542   4.874
 1113    H    LEU  41           HN       LEU  41 -16.482   5.190   1.155
 1114    HA   LEU  41           HA       LEU  41 -14.373   6.256   2.754
 1115   1HB   LEU  41          HB2       LEU  41 -14.396   5.326  -0.111
 1116   2HB   LEU  41          HB1       LEU  41 -12.959   5.746   0.808
 1117    HG   LEU  41           HG       LEU  41 -14.811   3.414   1.255
 1118   1HD1  LEU  41          HD11      LEU  41 -11.979   2.881   1.160
 1119   2HD1  LEU  41          HD12      LEU  41 -12.504   3.742  -0.285
 1120   3HD1  LEU  41          HD13      LEU  41 -13.279   2.224   0.167
 1121   1HD2  LEU  41          HD21      LEU  41 -14.341   4.107   3.436
 1122   2HD2  LEU  41          HD22      LEU  41 -12.698   4.599   3.027
 1123   3HD2  LEU  41          HD23      LEU  41 -13.112   2.887   3.102
 1124    H    ALA  42           HN       ALA  42 -14.717   7.016  -0.648
 1125    HA   ALA  42           HA       ALA  42 -13.673   9.516  -0.644
 1126   1HB   ALA  42          HB1       ALA  42 -14.819   9.947  -2.671
 1127   2HB   ALA  42          HB2       ALA  42 -16.058   8.758  -2.269
 1128   3HB   ALA  42          HB3       ALA  42 -14.419   8.233  -2.614
 1129    H    THR  43           HN       THR  43 -16.843   8.585   0.344
 1130    HA   THR  43           HA       THR  43 -18.064  11.071   0.513
 1131    HB   THR  43           HB       THR  43 -19.323   9.866   2.505
 1132    HG1  THR  43           HG1      THR  43 -18.197   7.618   1.146
 1133   1HG2  THR  43          HG21      THR  43 -20.358  10.311   0.372
 1134   2HG2  THR  43          HG22      THR  43 -20.688   8.639   0.824
 1135   3HG2  THR  43          HG23      THR  43 -19.455   8.999  -0.384
 1136    H    GLN  44           HN       GLN  44 -16.457   9.217   3.098
 1137    HA   GLN  44           HA       GLN  44 -16.313  11.548   4.823
 1138   1HB   GLN  44          HB2       GLN  44 -15.242   8.729   5.114
 1139   2HB   GLN  44          HB1       GLN  44 -15.117   9.971   6.359
 1140   1HG   GLN  44          HG2       GLN  44 -17.663   8.808   5.252
 1141   2HG   GLN  44          HG1       GLN  44 -16.950   8.456   6.825
 1142   1HE2  GLN  44          HE21      GLN  44 -17.046  10.006   8.452
 1143   2HE2  GLN  44          HE22      GLN  44 -18.132  11.348   8.379
 1144    H    GLN  45           HN       GLN  45 -14.243   9.720   2.708
 1145    HA   GLN  45           HA       GLN  45 -11.818  10.892   3.509
 1146   1HB   GLN  45          HB2       GLN  45 -12.666   9.646   0.909
 1147   2HB   GLN  45          HB1       GLN  45 -11.006  10.042   1.312
 1148   1HG   GLN  45          HG2       GLN  45 -12.549   7.689   1.900
 1149   2HG   GLN  45          HG1       GLN  45 -10.817   7.974   2.069
 1150   1HE2  GLN  45          HE21      GLN  45 -13.903   8.094   3.657
 1151   2HE2  GLN  45          HE22      GLN  45 -13.305   8.129   5.275
 1152    H    LEU  46           HN       LEU  46 -14.506  11.810   1.510
 1153    HA   LEU  46           HA       LEU  46 -13.554  13.700  -0.192
 1154   1HB   LEU  46          HB2       LEU  46 -16.086  13.301   1.201
 1155   2HB   LEU  46          HB1       LEU  46 -15.750  14.992   0.934
 1156    HG   LEU  46           HG       LEU  46 -15.940  12.880  -1.212
 1157   1HD1  LEU  46          HD11      LEU  46 -17.952  14.127  -1.868
 1158   2HD1  LEU  46          HD12      LEU  46 -17.777  15.131  -0.429
 1159   3HD1  LEU  46          HD13      LEU  46 -18.096  13.405  -0.266
 1160   1HD2  LEU  46          HD21      LEU  46 -15.831  15.829  -1.680
 1161   2HD2  LEU  46          HD22      LEU  46 -15.440  14.509  -2.779
 1162   3HD2  LEU  46          HD23      LEU  46 -14.335  14.924  -1.471
 1163    HA   PRO  47           HA       PRO  47 -13.000  17.030   2.972
 1164   1HB   PRO  47          HB2       PRO  47 -14.135  17.057   5.384
 1165   2HB   PRO  47          HB1       PRO  47 -15.090  17.460   3.952
 1166   1HG   PRO  47          HG2       PRO  47 -14.948  14.888   5.484
 1167   2HG   PRO  47          HG1       PRO  47 -16.374  15.727   4.844
 1168   1HD   PRO  47          HD2       PRO  47 -15.143  13.619   3.587
 1169   2HD   PRO  47          HD1       PRO  47 -16.085  14.868   2.756
 1170    H    HIS  48           HN       HIS  48 -11.066  16.031   2.921
 1171    HA   HIS  48           HA       HIS  48 -10.101  14.762   5.346
 1172   1HB   HIS  48          HB2       HIS  48  -9.629  14.542   2.587
 1173   2HB   HIS  48          HB1       HIS  48  -8.126  15.151   3.310
 1174    HD1  HIS  48           HD1      HIS  48  -6.914  13.610   5.036
 1175    HD2  HIS  48           HD2      HIS  48 -10.268  11.911   3.284
 1176    HE1  HIS  48           HE1      HIS  48  -6.844  11.177   5.670
 1177    HE2  HIS  48           HE2      HIS  48  -8.847  10.153   4.535
 1178    H    LEU  49           HN       LEU  49  -7.463  15.630   5.132
 1179    HA   LEU  49           HA       LEU  49  -7.673  18.368   6.030
 1180   1HB   LEU  49          HB2       LEU  49  -5.352  16.449   5.740
 1181   2HB   LEU  49          HB1       LEU  49  -5.126  18.128   6.201
 1182    HG   LEU  49           HG       LEU  49  -6.665  16.042   7.749
 1183   1HD1  LEU  49          HD11      LEU  49  -4.249  15.767   7.878
 1184   2HD1  LEU  49          HD12      LEU  49  -4.902  16.336   9.414
 1185   3HD1  LEU  49          HD13      LEU  49  -4.071  17.460   8.339
 1186   1HD2  LEU  49          HD21      LEU  49  -6.161  18.949   8.372
 1187   2HD2  LEU  49          HD22      LEU  49  -6.895  17.776   9.466
 1188   3HD2  LEU  49          HD23      LEU  49  -7.717  18.222   7.970
 1189    H    LEU  50           HN       LEU  50  -5.149  17.094   3.931
 1190    HA   LEU  50           HA       LEU  50  -5.580  19.224   2.004
 1191   1HB   LEU  50          HB2       LEU  50  -3.286  18.585   2.735
 1192   2HB   LEU  50          HB1       LEU  50  -3.530  17.003   2.021
 1193    HG   LEU  50           HG       LEU  50  -3.700  18.001  -0.202
 1194   1HD1  LEU  50          HD11      LEU  50  -3.216  20.385  -0.527
 1195   2HD1  LEU  50          HD12      LEU  50  -3.218  20.616   1.221
 1196   3HD1  LEU  50          HD13      LEU  50  -4.698  20.130   0.393
 1197   1HD2  LEU  50          HD21      LEU  50  -1.272  18.943   1.320
 1198   2HD2  LEU  50          HD22      LEU  50  -1.387  18.754  -0.430
 1199   3HD2  LEU  50          HD23      LEU  50  -1.499  17.341   0.619
 1200    H    LYS  51           HN       LYS  51  -7.810  17.819   1.907
 1201    HA   LYS  51           HA       LYS  51  -8.174  15.457   0.730
 1202   1HB   LYS  51          HB2       LYS  51 -10.065  16.687   1.377
 1203   2HB   LYS  51          HB1       LYS  51  -9.657  18.037   0.331
 1204   1HG   LYS  51          HG2       LYS  51 -10.110  16.594  -1.629
 1205   2HG   LYS  51          HG1       LYS  51 -10.667  15.310  -0.550
 1206   1HD   LYS  51          HD2       LYS  51 -12.065  17.615  -1.613
 1207   2HD   LYS  51          HD1       LYS  51 -12.711  16.233  -0.741
 1208   1HE   LYS  51          HE2       LYS  51 -12.127  17.374   1.388
 1209   2HE   LYS  51          HE1       LYS  51 -11.603  18.774   0.458
 1210   1HZ   LYS  51          HZ1       LYS  51 -14.350  17.644   0.446
 1211   2HZ   LYS  51          HZ2       LYS  51 -13.838  19.020  -0.394
 1212   3HZ   LYS  51          HZ3       LYS  51 -13.864  19.025   1.297
 1213    H    ASP  52           HN       ASP  52  -8.855  14.841  -1.398
 1214    HA   ASP  52           HA       ASP  52  -7.014  15.876  -3.447
 1215   1HB   ASP  52          HB2       ASP  52  -8.244  13.177  -2.945
 1216   2HB   ASP  52          HB1       ASP  52  -7.626  13.598  -4.543
 1217    H    VAL  53           HN       VAL  53 -10.302  15.011  -2.731
 1218    HA   VAL  53           HA       VAL  53 -12.115  16.367  -3.464
 1219    HB   VAL  53           HB       VAL  53 -10.716  16.237  -6.104
 1220   1HG1  VAL  53          HG11      VAL  53 -13.423  17.401  -5.467
 1221   2HG1  VAL  53          HG12      VAL  53 -13.100  16.007  -6.497
 1222   3HG1  VAL  53          HG13      VAL  53 -12.566  17.611  -6.995
 1223   1HG2  VAL  53          HG21      VAL  53  -9.963  17.918  -4.352
 1224   2HG2  VAL  53          HG22      VAL  53 -11.528  18.693  -4.582
 1225   3HG2  VAL  53          HG23      VAL  53 -10.399  18.569  -5.931
 1226    H    GLY  54           HN       GLY  54 -12.946  14.392  -2.699
 1227   1HA   GLY  54          HA2       GLY  54 -13.305  12.090  -4.287
 1228   2HA   GLY  54          HA1       GLY  54 -14.275  12.524  -2.898
 1229    H    SER  55           HN       SER  55 -13.790  13.578  -6.268
 1230    HA   SER  55           HA       SER  55 -16.293  14.733  -6.648
 1231   1HB   SER  55          HB2       SER  55 -14.634  15.191  -8.263
 1232   2HB   SER  55          HB1       SER  55 -14.315  13.480  -8.536
 1233    HG   SER  55           HG       SER  55 -15.977  13.372  -9.858
 1234    H    LEU  56           HN       LEU  56 -18.275  13.968  -7.082
 1235    HA   LEU  56           HA       LEU  56 -19.162  11.517  -6.375
 1236   1HB   LEU  56          HB2       LEU  56 -20.219  13.456  -8.393
 1237   2HB   LEU  56          HB1       LEU  56 -21.039  11.930  -8.127
 1238    HG   LEU  56           HG       LEU  56 -22.039  13.791  -6.851
 1239   1HD1  LEU  56          HD11      LEU  56 -22.273  11.517  -6.031
 1240   2HD1  LEU  56          HD12      LEU  56 -22.117  12.645  -4.685
 1241   3HD1  LEU  56          HD13      LEU  56 -20.742  11.653  -5.168
 1242   1HD2  LEU  56          HD21      LEU  56 -20.836  14.727  -4.940
 1243   2HD2  LEU  56          HD22      LEU  56 -20.014  15.092  -6.457
 1244   3HD2  LEU  56          HD23      LEU  56 -19.394  13.823  -5.402
 1245    H    ASP  57           HN       ASP  57 -18.486  12.363  -9.789
 1246    HA   ASP  57           HA       ASP  57 -18.964   9.921 -10.920
 1247   1HB   ASP  57          HB2       ASP  57 -17.094  12.110 -11.588
 1248   2HB   ASP  57          HB1       ASP  57 -16.855  10.546 -12.370
 1249    H    GLU  58           HN       GLU  58 -15.930  11.053  -9.714
 1250    HA   GLU  58           HA       GLU  58 -14.357   8.819 -10.069
 1251   1HB   GLU  58          HB2       GLU  58 -14.318  11.059  -8.089
 1252   2HB   GLU  58          HB1       GLU  58 -13.225   9.697  -7.859
 1253   1HG   GLU  58          HG2       GLU  58 -12.084  11.440  -9.050
 1254   2HG   GLU  58          HG1       GLU  58 -12.332  10.059 -10.120
 1255    H    LYS  59           HN       LYS  59 -16.497   9.676  -7.406
 1256    HA   LYS  59           HA       LYS  59 -15.960   7.336  -5.941
 1257   1HB   LYS  59          HB2       LYS  59 -18.395   9.111  -5.736
 1258   2HB   LYS  59          HB1       LYS  59 -17.825   7.977  -4.511
 1259   1HG   LYS  59          HG2       LYS  59 -15.775   9.280  -4.282
 1260   2HG   LYS  59          HG1       LYS  59 -16.355  10.430  -5.476
 1261   1HD   LYS  59          HD2       LYS  59 -17.565   9.888  -2.764
 1262   2HD   LYS  59          HD1       LYS  59 -16.668  11.313  -3.243
 1263   1HE   LYS  59          HE2       LYS  59 -18.381  12.023  -4.695
 1264   2HE   LYS  59          HE1       LYS  59 -19.206  10.466  -4.607
 1265   1HZ   LYS  59          HZ1       LYS  59 -20.329  12.111  -3.259
 1266   2HZ   LYS  59          HZ2       LYS  59 -18.914  12.415  -2.384
 1267   3HZ   LYS  59          HZ3       LYS  59 -19.673  10.909  -2.265
 1268    H    MET  60           HN       MET  60 -17.996   8.040  -8.589
 1269    HA   MET  60           HA       MET  60 -19.703   5.741  -8.245
 1270   1HB   MET  60          HB2       MET  60 -19.378   7.733 -10.492
 1271   2HB   MET  60          HB1       MET  60 -20.549   6.417 -10.513
 1272   1HG   MET  60          HG2       MET  60 -20.456   8.551  -8.397
 1273   2HG   MET  60          HG1       MET  60 -21.481   8.617  -9.830
 1274   1HE   MET  60          HE1       MET  60 -24.111   7.863  -7.065
 1275   2HE   MET  60          HE2       MET  60 -23.588   8.962  -8.341
 1276   3HE   MET  60          HE3       MET  60 -22.669   8.852  -6.841
 1277    H    LYS  61           HN       LYS  61 -16.751   6.467  -9.928
 1278    HA   LYS  61           HA       LYS  61 -16.955   4.228 -11.752
 1279   1HB   LYS  61          HB2       LYS  61 -14.283   5.337 -11.529
 1280   2HB   LYS  61          HB1       LYS  61 -15.331   5.201 -12.931
 1281   1HG   LYS  61          HG2       LYS  61 -16.501   7.256 -12.200
 1282   2HG   LYS  61          HG1       LYS  61 -15.333   7.396 -10.883
 1283   1HD   LYS  61          HD2       LYS  61 -14.682   7.396 -13.830
 1284   2HD   LYS  61          HD1       LYS  61 -14.717   8.816 -12.782
 1285   1HE   LYS  61          HE2       LYS  61 -12.917   7.864 -11.430
 1286   2HE   LYS  61          HE1       LYS  61 -12.892   6.434 -12.461
 1287   1HZ   LYS  61          HZ1       LYS  61 -11.145   7.986 -13.063
 1288   2HZ   LYS  61          HZ2       LYS  61 -12.284   9.207 -13.335
 1289   3HZ   LYS  61          HZ3       LYS  61 -12.260   7.836 -14.326
 1290    H    THR  62           HN       THR  62 -14.271   5.065  -9.603
 1291    HA   THR  62           HA       THR  62 -13.053   2.651  -9.433
 1292    HB   THR  62           HB       THR  62 -13.435   4.531  -7.098
 1293    HG1  THR  62           HG1      THR  62 -12.562   5.603  -8.907
 1294   1HG2  THR  62          HG21      THR  62 -11.320   3.623  -6.284
 1295   2HG2  THR  62          HG22      THR  62 -11.247   2.528  -7.664
 1296   3HG2  THR  62          HG23      THR  62 -12.518   2.340  -6.457
 1297    H    LEU  63           HN       LEU  63 -15.997   3.619  -7.912
 1298    HA   LEU  63           HA       LEU  63 -16.410   1.759  -5.950
 1299   1HB   LEU  63          HB2       LEU  63 -17.874   3.613  -6.449
 1300   2HB   LEU  63          HB1       LEU  63 -18.361   2.876  -7.959
 1301    HG   LEU  63           HG       LEU  63 -18.847   1.486  -5.368
 1302   1HD1  LEU  63          HD11      LEU  63 -20.281   3.849  -6.470
 1303   2HD1  LEU  63          HD12      LEU  63 -19.912   3.438  -4.794
 1304   3HD1  LEU  63          HD13      LEU  63 -21.202   2.590  -5.648
 1305   1HD2  LEU  63          HD21      LEU  63 -20.090   1.440  -8.103
 1306   2HD2  LEU  63          HD22      LEU  63 -20.859   0.701  -6.700
 1307   3HD2  LEU  63          HD23      LEU  63 -19.291   0.121  -7.250
 1308    H    ASP  64           HN       ASP  64 -17.990   1.352  -9.114
 1309    HA   ASP  64           HA       ASP  64 -18.424  -1.385  -8.835
 1310   1HB   ASP  64          HB2       ASP  64 -19.595  -0.029 -10.501
 1311   2HB   ASP  64          HB1       ASP  64 -18.088   0.221 -11.377
 1312    H    VAL  65           HN       VAL  65 -15.531   0.302  -9.589
 1313    HA   VAL  65           HA       VAL  65 -14.231  -1.847 -10.961
 1314    HB   VAL  65           HB       VAL  65 -13.066   0.631  -9.683
 1315   1HG1  VAL  65          HG11      VAL  65 -11.109   0.200 -11.098
 1316   2HG1  VAL  65          HG12      VAL  65 -11.831  -1.320 -11.625
 1317   3HG1  VAL  65          HG13      VAL  65 -11.376  -1.098  -9.935
 1318   1HG2  VAL  65          HG21      VAL  65 -13.848   0.042 -12.535
 1319   2HG2  VAL  65          HG22      VAL  65 -12.982   1.481 -11.996
 1320   3HG2  VAL  65          HG23      VAL  65 -14.629   1.184 -11.442
 1321    H    ASN  66           HN       ASN  66 -13.153  -0.263  -7.965
 1322    HA   ASN  66           HA       ASN  66 -11.838  -2.681  -7.122
 1323   1HB   ASN  66          HB2       ASN  66 -12.144  -0.186  -5.468
 1324   2HB   ASN  66          HB1       ASN  66 -10.875  -1.405  -5.391
 1325   1HD2  ASN  66          HD21      ASN  66  -9.218   0.044  -5.652
 1326   2HD2  ASN  66          HD22      ASN  66  -8.903   0.856  -7.145
 1327    H    GLN  67           HN       GLN  67 -14.560  -3.328  -7.155
 1328    HA   GLN  67           HA       GLN  67 -15.648  -2.874  -4.564
 1329   1HB   GLN  67          HB2       GLN  67 -17.251  -4.669  -5.075
 1330   2HB   GLN  67          HB1       GLN  67 -17.260  -3.316  -6.170
 1331   1HG   GLN  67          HG2       GLN  67 -17.613  -5.559  -7.122
 1332   2HG   GLN  67          HG1       GLN  67 -16.369  -4.585  -7.914
 1333   1HE2  GLN  67          HE21      GLN  67 -14.370  -5.447  -8.114
 1334   2HE2  GLN  67          HE22      GLN  67 -13.883  -6.966  -7.444
 1335    H    ASP  68           HN       ASP  68 -13.583  -5.233  -5.905
 1336    HA   ASP  68           HA       ASP  68 -13.850  -6.964  -3.620
 1337   1HB   ASP  68          HB2       ASP  68 -12.355  -7.094  -6.202
 1338   2HB   ASP  68          HB1       ASP  68 -11.843  -8.103  -4.851
 1339    H    SER  69           HN       SER  69 -12.530  -4.036  -4.018
 1340    HA   SER  69           HA       SER  69  -9.947  -3.867  -3.311
 1341   1HB   SER  69          HB2       SER  69 -11.391  -1.896  -3.451
 1342   2HB   SER  69          HB1       SER  69 -12.280  -2.431  -2.021
 1343    HG   SER  69           HG       SER  69 -10.887  -1.119  -1.111
 1344    H    GLU  70           HN       GLU  70 -12.610  -4.928  -1.375
 1345    HA   GLU  70           HA       GLU  70 -10.716  -5.903   0.641
 1346   1HB   GLU  70          HB2       GLU  70 -12.187  -4.313   1.698
 1347   2HB   GLU  70          HB1       GLU  70 -13.592  -5.125   1.002
 1348   1HG   GLU  70          HG2       GLU  70 -13.319  -7.019   2.327
 1349   2HG   GLU  70          HG1       GLU  70 -11.665  -6.590   2.752
 1350    H    LEU  71           HN       LEU  71 -10.848  -7.961   1.206
 1351    HA   LEU  71           HA       LEU  71 -13.020  -9.555   0.231
 1352   1HB   LEU  71          HB2       LEU  71 -11.449 -11.192  -0.786
 1353   2HB   LEU  71          HB1       LEU  71 -11.635  -9.671  -1.648
 1354    HG   LEU  71           HG       LEU  71  -9.314 -10.467  -1.557
 1355   1HD1  LEU  71          HD11      LEU  71  -8.652  -8.334  -1.617
 1356   2HD1  LEU  71          HD12      LEU  71  -9.019  -8.099   0.079
 1357   3HD1  LEU  71          HD13      LEU  71 -10.273  -7.923  -1.142
 1358   1HD2  LEU  71          HD21      LEU  71  -9.696 -11.472   0.759
 1359   2HD2  LEU  71          HD22      LEU  71  -9.258  -9.871   1.339
 1360   3HD2  LEU  71          HD23      LEU  71  -8.118 -10.803   0.364
 1361    H    ARG  72           HN       ARG  72 -12.889 -11.782   0.916
 1362    HA   ARG  72           HA       ARG  72 -11.664 -12.028   3.565
 1363   1HB   ARG  72          HB2       ARG  72 -13.705 -13.983   2.701
 1364   2HB   ARG  72          HB1       ARG  72 -13.483 -13.236   4.271
 1365   1HG   ARG  72          HG2       ARG  72 -14.873 -12.099   1.870
 1366   2HG   ARG  72          HG1       ARG  72 -15.600 -12.590   3.397
 1367   1HD   ARG  72          HD2       ARG  72 -13.824 -10.240   2.848
 1368   2HD   ARG  72          HD1       ARG  72 -15.468 -10.245   3.474
 1369    HE   ARG  72           HE       ARG  72 -14.205 -11.576   5.394
 1370   1HH1  ARG  72          HH11      ARG  72 -13.318  -8.626   3.753
 1371   2HH1  ARG  72          HH12      ARG  72 -12.448  -7.991   5.108
 1372   1HH2  ARG  72          HH21      ARG  72 -13.066 -10.741   7.173
 1373   2HH2  ARG  72          HH22      ARG  72 -12.305  -9.190   7.050
 1374    H    PHE  73           HN       PHE  73 -11.157 -12.777   0.381
 1375    HA   PHE  73           HA       PHE  73  -9.949 -15.301   1.063
 1376   1HB   PHE  73          HB2       PHE  73 -10.774 -16.340  -0.921
 1377   2HB   PHE  73          HB1       PHE  73 -12.120 -15.575  -0.124
 1378    HD1  PHE  73           HD1      PHE  73 -12.266 -12.857  -1.109
 1379    HD2  PHE  73           HD2      PHE  73 -11.030 -16.405  -3.138
 1380    HE1  PHE  73           HE1      PHE  73 -12.801 -11.818  -3.267
 1381    HE2  PHE  73           HE2      PHE  73 -11.601 -15.376  -5.281
 1382    HZ   PHE  73           HZ       PHE  73 -12.495 -13.089  -5.354
 1383    H    SER  74           HN       SER  74  -9.399 -14.566  -2.222
 1384    HA   SER  74           HA       SER  74  -6.749 -13.652  -1.503
 1385   1HB   SER  74          HB2       SER  74  -6.118 -14.708  -3.798
 1386   2HB   SER  74          HB1       SER  74  -6.298 -15.741  -2.386
 1387    HG   SER  74           HG       SER  74  -7.400 -16.495  -4.305
 1388    H    GLU  75           HN       GLU  75  -9.347 -12.338  -2.454
 1389    HA   GLU  75           HA       GLU  75  -8.707 -11.048  -4.897
 1390   1HB   GLU  75          HB2       GLU  75 -10.785 -11.093  -2.934
 1391   2HB   GLU  75          HB1       GLU  75 -10.371  -9.418  -3.271
 1392   1HG   GLU  75          HG2       GLU  75 -11.335 -11.496  -5.192
 1393   2HG   GLU  75          HG1       GLU  75 -12.144 -10.023  -4.674
 1394    H    TYR  76           HN       TYR  76  -7.275 -10.864  -1.870
 1395    HA   TYR  76           HA       TYR  76  -6.993  -8.413  -1.070
 1396   1HB   TYR  76          HB2       TYR  76  -5.085 -10.633  -1.108
 1397   2HB   TYR  76          HB1       TYR  76  -4.450  -9.055  -0.663
 1398    HD1  TYR  76           HD1      TYR  76  -7.182  -8.200   0.677
 1399    HD2  TYR  76           HD2      TYR  76  -4.659 -11.602   1.041
 1400    HE1  TYR  76           HE1      TYR  76  -8.059  -8.564   2.877
 1401    HE2  TYR  76           HE2      TYR  76  -5.533 -11.992   3.295
 1402    HH   TYR  76           HH       TYR  76  -8.286 -10.411   4.513
 1403    H    TRP  77           HN       TRP  77  -5.643  -9.475  -4.054
 1404    HA   TRP  77           HA       TRP  77  -3.796  -7.393  -4.484
 1405   1HB   TRP  77          HB2       TRP  77  -3.983  -7.908  -6.846
 1406   2HB   TRP  77          HB1       TRP  77  -4.032  -9.418  -5.940
 1407    HD1  TRP  77           HD1      TRP  77  -6.567  -6.914  -7.437
 1408    HE1  TRP  77           HE1      TRP  77  -8.563  -8.245  -8.320
 1409    HE3  TRP  77           HE3      TRP  77  -5.127 -11.591  -6.004
 1410    HZ2  TRP  77           HZ2      TRP  77  -9.447 -10.935  -8.385
 1411    HZ3  TRP  77           HZ3      TRP  77  -6.609 -13.489  -6.488
 1412    HH2  TRP  77           HH2      TRP  77  -8.725 -13.164  -7.643
 1413    H    ARG  78           HN       ARG  78  -7.221  -7.266  -4.248
 1414    HA   ARG  78           HA       ARG  78  -7.492  -4.966  -5.863
 1415   1HB   ARG  78          HB2       ARG  78  -9.407  -6.427  -4.064
 1416   2HB   ARG  78          HB1       ARG  78  -9.857  -4.904  -4.844
 1417   1HG   ARG  78          HG2       ARG  78  -8.770  -7.208  -6.393
 1418   2HG   ARG  78          HG1       ARG  78 -10.474  -7.062  -6.021
 1419   1HD   ARG  78          HD2       ARG  78 -10.416  -4.792  -7.075
 1420   2HD   ARG  78          HD1       ARG  78  -8.766  -5.150  -7.587
 1421    HE   ARG  78           HE       ARG  78 -10.531  -7.197  -8.423
 1422   1HH1  ARG  78          HH11      ARG  78  -9.603  -3.918  -9.139
 1423   2HH1  ARG  78          HH12      ARG  78 -10.039  -4.024 -10.812
 1424   1HH2  ARG  78          HH21      ARG  78 -11.111  -7.346 -10.622
 1425   2HH2  ARG  78          HH22      ARG  78 -10.897  -5.972 -11.655
 1426    H    LEU  79           HN       LEU  79  -6.521  -5.600  -2.657
 1427    HA   LEU  79           HA       LEU  79  -7.049  -2.948  -1.666
 1428   1HB   LEU  79          HB2       LEU  79  -4.861  -4.479  -0.441
 1429   2HB   LEU  79          HB1       LEU  79  -6.167  -3.618   0.316
 1430    HG   LEU  79           HG       LEU  79  -6.899  -6.211  -0.945
 1431   1HD1  LEU  79          HD11      LEU  79  -4.635  -5.934   0.816
 1432   2HD1  LEU  79          HD12      LEU  79  -5.307  -7.385   0.082
 1433   3HD1  LEU  79          HD13      LEU  79  -5.928  -6.811   1.627
 1434   1HD2  LEU  79          HD21      LEU  79  -7.493  -5.628   1.867
 1435   2HD2  LEU  79          HD22      LEU  79  -8.570  -6.114   0.557
 1436   3HD2  LEU  79          HD23      LEU  79  -8.113  -4.420   0.742
 1437    H    ILE  80           HN       ILE  80  -4.715  -4.555  -3.570
 1438    HA   ILE  80           HA       ILE  80  -2.344  -3.379  -3.147
 1439    HB   ILE  80           HB       ILE  80  -3.140  -5.070  -4.982
 1440   1HG1  ILE  80          HG12      ILE  80  -0.941  -3.031  -5.458
 1441   2HG1  ILE  80          HG11      ILE  80  -0.806  -4.520  -4.527
 1442   1HG2  ILE  80          HG21      ILE  80  -4.584  -3.475  -6.175
 1443   2HG2  ILE  80          HG22      ILE  80  -3.327  -4.149  -7.210
 1444   3HG2  ILE  80          HG23      ILE  80  -3.169  -2.507  -6.585
 1445   1HD1  ILE  80          HD11      ILE  80  -1.325  -4.327  -7.483
 1446   2HD1  ILE  80          HD12      ILE  80  -1.191  -5.820  -6.554
 1447   3HD1  ILE  80          HD13      ILE  80   0.204  -4.754  -6.717
 1448    H    GLY  81           HN       GLY  81  -4.979  -1.935  -5.071
 1449   1HA   GLY  81          HA2       GLY  81  -3.502   0.520  -5.445
 1450   2HA   GLY  81          HA1       GLY  81  -5.151   0.202  -5.963
 1451    H    GLU  82           HN       GLU  82  -5.367  -0.718  -2.908
 1452    HA   GLU  82           HA       GLU  82  -6.547   1.750  -2.026
 1453   1HB   GLU  82          HB2       GLU  82  -6.087  -0.785  -0.547
 1454   2HB   GLU  82          HB1       GLU  82  -7.201   0.490  -0.084
 1455   1HG   GLU  82          HG2       GLU  82  -7.413  -1.277  -2.514
 1456   2HG   GLU  82          HG1       GLU  82  -8.407  -1.353  -1.059
 1457    H    LEU  83           HN       LEU  83  -4.146  -0.434  -0.626
 1458    HA   LEU  83           HA       LEU  83  -3.243   1.188   1.423
 1459   1HB   LEU  83          HB2       LEU  83  -2.244  -1.150  -0.024
 1460   2HB   LEU  83          HB1       LEU  83  -0.966  -0.129   0.609
 1461    HG   LEU  83           HG       LEU  83  -3.201  -1.340   2.225
 1462   1HD1  LEU  83          HD11      LEU  83  -0.309  -1.996   2.550
 1463   2HD1  LEU  83          HD12      LEU  83  -1.229  -2.769   1.260
 1464   3HD1  LEU  83          HD13      LEU  83  -1.732  -2.964   2.937
 1465   1HD2  LEU  83          HD21      LEU  83  -0.869   0.401   2.991
 1466   2HD2  LEU  83          HD22      LEU  83  -1.818  -0.530   4.147
 1467   3HD2  LEU  83          HD23      LEU  83  -2.583   0.744   3.201
 1468    H    ALA  84           HN       ALA  84  -2.795   1.450  -1.972
 1469    HA   ALA  84           HA       ALA  84  -0.533   3.155  -1.762
 1470   1HB   ALA  84          HB1       ALA  84  -0.881   3.587  -4.137
 1471   2HB   ALA  84          HB2       ALA  84  -2.442   2.769  -4.051
 1472   3HB   ALA  84          HB3       ALA  84  -0.953   1.861  -3.783
 1473    H    LYS  85           HN       LYS  85  -4.025   3.638  -1.991
 1474    HA   LYS  85           HA       LYS  85  -4.228   6.256  -2.641
 1475   1HB   LYS  85          HB2       LYS  85  -5.868   4.428  -1.114
 1476   2HB   LYS  85          HB1       LYS  85  -6.038   6.092  -0.559
 1477   1HG   LYS  85          HG2       LYS  85  -7.676   5.846  -2.184
 1478   2HG   LYS  85          HG1       LYS  85  -6.368   6.683  -3.023
 1479   1HD   LYS  85          HD2       LYS  85  -6.870   5.040  -4.550
 1480   2HD   LYS  85          HD1       LYS  85  -5.624   4.223  -3.599
 1481   1HE   LYS  85          HE2       LYS  85  -7.280   2.624  -3.655
 1482   2HE   LYS  85          HE1       LYS  85  -7.620   3.465  -2.134
 1483   1HZ   LYS  85          HZ1       LYS  85  -9.088   4.901  -3.810
 1484   2HZ   LYS  85          HZ2       LYS  85  -9.684   3.533  -3.016
 1485   3HZ   LYS  85          HZ3       LYS  85  -9.149   3.415  -4.616
 1486    H    GLU  86           HN       GLU  86  -2.931   5.017   0.279
 1487    HA   GLU  86           HA       GLU  86  -2.990   7.552   1.634
 1488   1HB   GLU  86          HB2       GLU  86  -1.375   6.368   3.244
 1489   2HB   GLU  86          HB1       GLU  86  -3.003   5.722   3.138
 1490   1HG   GLU  86          HG2       GLU  86  -2.266   3.942   1.729
 1491   2HG   GLU  86          HG1       GLU  86  -0.637   4.613   1.661
 1492    H    VAL  87           HN       VAL  87  -0.606   5.577  -0.022
 1493    HA   VAL  87           HA       VAL  87   1.490   7.518   0.288
 1494    HB   VAL  87           HB       VAL  87   1.331   4.895  -1.171
 1495   1HG1  VAL  87          HG11      VAL  87   3.673   5.078  -1.664
 1496   2HG1  VAL  87          HG12      VAL  87   3.739   6.673  -0.923
 1497   3HG1  VAL  87          HG13      VAL  87   2.814   6.423  -2.401
 1498   1HG2  VAL  87          HG21      VAL  87   2.993   4.238   0.544
 1499   2HG2  VAL  87          HG22      VAL  87   1.427   4.693   1.218
 1500   3HG2  VAL  87          HG23      VAL  87   2.781   5.818   1.299
 1501    H    ARG  88           HN       ARG  88  -1.037   7.036  -1.951
 1502    HA   ARG  88           HA       ARG  88   0.273   8.076  -4.261
 1503   1HB   ARG  88          HB2       ARG  88  -1.832   6.618  -4.174
 1504   2HB   ARG  88          HB1       ARG  88  -2.700   8.096  -3.781
 1505   1HG   ARG  88          HG2       ARG  88  -1.981   9.096  -5.877
 1506   2HG   ARG  88          HG1       ARG  88  -1.064   7.638  -6.266
 1507   1HD   ARG  88          HD2       ARG  88  -3.181   7.623  -7.439
 1508   2HD   ARG  88          HD1       ARG  88  -3.149   6.339  -6.231
 1509    HE   ARG  88           HE       ARG  88  -4.337   8.750  -5.250
 1510   1HH1  ARG  88          HH11      ARG  88  -4.912   5.851  -7.092
 1511   2HH1  ARG  88          HH12      ARG  88  -6.618   5.841  -6.790
 1512   1HH2  ARG  88          HH21      ARG  88  -6.582   8.748  -4.846
 1513   2HH2  ARG  88          HH22      ARG  88  -7.568   7.490  -5.514
 1514    H    LYS  89           HN       LYS  89  -2.357   9.492  -2.320
 1515    HA   LYS  89           HA       LYS  89  -2.055  12.082  -3.382
 1516   1HB   LYS  89          HB2       LYS  89  -3.742  12.677  -1.947
 1517   2HB   LYS  89          HB1       LYS  89  -3.952  10.935  -1.910
 1518   1HG   LYS  89          HG2       LYS  89  -4.043  11.392   0.313
 1519   2HG   LYS  89          HG1       LYS  89  -2.282  11.124   0.171
 1520   1HD   LYS  89          HD2       LYS  89  -2.097  13.622  -0.230
 1521   2HD   LYS  89          HD1       LYS  89  -3.787  13.750   0.260
 1522   1HE   LYS  89          HE2       LYS  89  -3.289  12.884   2.427
 1523   2HE   LYS  89          HE1       LYS  89  -1.640  12.492   1.948
 1524   1HZ   LYS  89          HZ1       LYS  89  -2.712  15.252   1.978
 1525   2HZ   LYS  89          HZ2       LYS  89  -1.100  14.775   1.805
 1526   3HZ   LYS  89          HZ3       LYS  89  -1.890  14.562   3.286
 1527    H    GLU  90           HN       GLU  90  -0.660  10.445  -0.645
 1528    HA   GLU  90           HA       GLU  90   0.581  12.673   0.546
 1529   1HB   GLU  90          HB2       GLU  90   0.972   9.715   0.704
 1530   2HB   GLU  90          HB1       GLU  90   2.037  10.807   1.581
 1531   1HG   GLU  90          HG2       GLU  90   0.011  11.767   2.670
 1532   2HG   GLU  90          HG1       GLU  90  -0.945  10.502   1.890
 1533    H    LYS  91           HN       LYS  91   1.254  11.032  -2.345
 1534    HA   LYS  91           HA       LYS  91   4.000  11.004  -2.495
 1535   1HB   LYS  91          HB2       LYS  91   3.803  10.953  -4.821
 1536   2HB   LYS  91          HB1       LYS  91   2.326  10.210  -4.236
 1537   1HG   LYS  91          HG2       LYS  91   1.118  12.296  -4.642
 1538   2HG   LYS  91          HG1       LYS  91   2.610  13.046  -5.209
 1539   1HD   LYS  91          HD2       LYS  91   2.757  11.397  -7.012
 1540   2HD   LYS  91          HD1       LYS  91   1.265  10.645  -6.447
 1541   1HE   LYS  91          HE2       LYS  91   0.027  12.672  -6.915
 1542   2HE   LYS  91          HE1       LYS  91   1.511  13.502  -7.379
 1543   1HZ   LYS  91          HZ1       LYS  91   0.371  11.138  -8.769
 1544   2HZ   LYS  91          HZ2       LYS  91   1.757  11.992  -9.230
 1545   3HZ   LYS  91          HZ3       LYS  91   0.241  12.739  -9.302
 1546    H    ALA  92           HN       ALA  92   1.793  13.641  -3.251
 1547    HA   ALA  92           HA       ALA  92   3.943  15.525  -3.655
 1548   1HB   ALA  92          HB1       ALA  92   1.888  17.133  -3.726
 1549   2HB   ALA  92          HB2       ALA  92   0.960  15.631  -3.805
 1550   3HB   ALA  92          HB3       ALA  92   2.165  15.995  -5.044
 1551    H    LEU  93           HN       LEU  93   1.967  14.540  -0.974
 1552    HA   LEU  93           HA       LEU  93   2.451  16.967   0.505
 1553   1HB   LEU  93          HB2       LEU  93   0.442  15.461   0.834
 1554   2HB   LEU  93          HB1       LEU  93   1.526  14.338   1.639
 1555    HG   LEU  93           HG       LEU  93   2.068  16.680   2.943
 1556   1HD1  LEU  93          HD11      LEU  93  -0.086  17.654   3.559
 1557   2HD1  LEU  93          HD12      LEU  93  -0.894  16.611   2.390
 1558   3HD1  LEU  93          HD13      LEU  93   0.241  17.840   1.837
 1559   1HD2  LEU  93          HD21      LEU  93   1.746  14.460   3.931
 1560   2HD2  LEU  93          HD22      LEU  93   0.005  14.614   3.698
 1561   3HD2  LEU  93          HD23      LEU  93   0.846  15.703   4.801
 1562    H    GLY  94           HN       GLY  94   3.980  13.876   0.094
 1563   1HA   GLY  94          HA2       GLY  94   5.509  13.596   2.360
 1564   2HA   GLY  94          HA1       GLY  94   6.075  13.163   0.750
 1565    H    ILE  95           HN       ILE  95   6.197  15.656  -0.440
 1566    HA   ILE  95           HA       ILE  95   8.660  16.640   0.568
 1567    HB   ILE  95           HB       ILE  95   8.053  16.761  -1.821
 1568   1HG1  ILE  95          HG12      ILE  95   8.573  19.442  -0.528
 1569   2HG1  ILE  95          HG11      ILE  95   9.792  18.248  -0.963
 1570   1HG2  ILE  95          HG21      ILE  95   5.660  17.666  -0.969
 1571   2HG2  ILE  95          HG22      ILE  95   6.250  17.761  -2.629
 1572   3HG2  ILE  95          HG23      ILE  95   6.417  19.149  -1.552
 1573   1HD1  ILE  95          HD11      ILE  95   9.709  20.053  -2.579
 1574   2HD1  ILE  95          HD12      ILE  95   8.003  19.722  -2.880
 1575   3HD1  ILE  95          HD13      ILE  95   9.223  18.527  -3.317
 1576    H    ARG  96           HN       ARG  96   7.548  16.871   2.797
 1577    HA   ARG  96           HA       ARG  96   5.767  18.976   3.314
 1578   1HB   ARG  96          HB2       ARG  96   7.962  18.008   5.160
 1579   2HB   ARG  96          HB1       ARG  96   6.480  18.837   5.623
 1580   1HG   ARG  96          HG2       ARG  96   6.588  16.120   4.330
 1581   2HG   ARG  96          HG1       ARG  96   6.429  16.409   6.063
 1582   1HD   ARG  96          HD2       ARG  96   4.324  17.550   5.717
 1583   2HD   ARG  96          HD1       ARG  96   4.502  17.408   3.969
 1584    HE   ARG  96           HE       ARG  96   3.813  15.218   4.097
 1585   1HH1  ARG  96          HH11      ARG  96   4.480  16.425   7.297
 1586   2HH1  ARG  96          HH12      ARG  96   3.774  15.061   8.098
 1587   1HH2  ARG  96          HH21      ARG  96   2.883  13.418   5.143
 1588   2HH2  ARG  96          HH22      ARG  96   2.867  13.352   6.873
 1589    H    LYS  97           HN       LYS  97   9.178  18.874   2.751
 1590    HA   LYS  97           HA       LYS  97   9.613  21.636   3.478
 1591   1HB   LYS  97          HB2       LYS  97  11.915  21.216   2.713
 1592   2HB   LYS  97          HB1       LYS  97  11.384  19.986   3.851
 1593   1HG   LYS  97          HG2       LYS  97  10.726  18.721   1.621
 1594   2HG   LYS  97          HG1       LYS  97  11.981  19.763   0.953
 1595   1HD   LYS  97          HD2       LYS  97  13.388  18.165   1.622
 1596   2HD   LYS  97          HD1       LYS  97  13.167  18.852   3.230
 1597   1HE   LYS  97          HE2       LYS  97  11.314  17.260   3.609
 1598   2HE   LYS  97          HE1       LYS  97  11.642  16.541   2.030
 1599   1HZ   LYS  97          HZ1       LYS  97  12.668  15.318   3.880
 1600   2HZ   LYS  97          HZ2       LYS  97  13.602  16.676   4.256
 1601   3HZ   LYS  97          HZ3       LYS  97  13.811  15.892   2.773
 1602    H    LYS  98           HN       LYS  98   8.078  22.607   2.051
 1603    HA   LYS  98           HA       LYS  98   8.795  22.504  -0.799
 1604   1HB   LYS  98          HB2       LYS  98   6.264  23.630   0.402
 1605   2HB   LYS  98          HB1       LYS  98   6.576  23.278  -1.291
 1606   1HG   LYS  98          HG2       LYS  98   6.758  20.855  -0.669
 1607   2HG   LYS  98          HG1       LYS  98   6.221  21.306   0.953
 1608   1HD   LYS  98          HD2       LYS  98   4.178  22.301  -0.073
 1609   2HD   LYS  98          HD1       LYS  98   4.702  21.655  -1.630
 1610   1HE   LYS  98          HE2       LYS  98   4.716  19.384  -0.595
 1611   2HE   LYS  98          HE1       LYS  98   4.009  20.094   0.853
 1612   1HZ   LYS  98          HZ1       LYS  98   2.111  20.804  -0.465
 1613   2HZ   LYS  98          HZ2       LYS  98   2.316  19.127  -0.568
 1614   3HZ   LYS  98          HZ3       LYS  98   2.790  20.117  -1.855
  Start of MODEL   15
    1   1H    MET   1          HT1       MET   1 -19.023   4.249  -3.103
    2   2H    MET   1          HT2       MET   1 -19.958   5.000  -1.922
    3   3H    MET   1          HT3       MET   1 -18.513   4.232  -1.493
    4    HA   MET   1           HA       MET   1 -18.916   6.725  -2.985
    5   1HB   MET   1          HB2       MET   1 -17.731   5.949  -0.383
    6   2HB   MET   1          HB1       MET   1 -16.928   7.208  -1.273
    7   1HG   MET   1          HG2       MET   1 -18.665   7.873   0.485
    8   2HG   MET   1          HG1       MET   1 -18.708   8.679  -1.081
    9   1HE   MET   1          HE1       MET   1 -20.779   9.629  -0.946
   10   2HE   MET   1          HE2       MET   1 -21.716   8.980   0.401
   11   3HE   MET   1          HE3       MET   1 -22.323   8.833  -1.247
   12    H    ALA   2           HN       ALA   2 -16.503   7.730  -3.097
   13    HA   ALA   2           HA       ALA   2 -15.012   5.790  -4.688
   14   1HB   ALA   2          HB1       ALA   2 -15.430   8.726  -5.062
   15   2HB   ALA   2          HB2       ALA   2 -15.707   7.411  -6.204
   16   3HB   ALA   2          HB3       ALA   2 -14.061   7.900  -5.806
   17    H    ALA   3           HN       ALA   3 -12.692   6.059  -4.810
   18    HA   ALA   3           HA       ALA   3 -11.597   6.690  -2.194
   19   1HB   ALA   3          HB1       ALA   3 -10.985   4.575  -3.286
   20   2HB   ALA   3          HB2       ALA   3  -9.576   5.593  -2.986
   21   3HB   ALA   3          HB3       ALA   3 -10.255   5.481  -4.610
   22    H    GLU   4           HN       GLU   4 -12.001   8.960  -2.475
   23    HA   GLU   4           HA       GLU   4 -10.679  10.459  -4.487
   24   1HB   GLU   4          HB2       GLU   4 -11.094  12.357  -2.663
   25   2HB   GLU   4          HB1       GLU   4 -12.351  11.750  -3.725
   26   1HG   GLU   4          HG2       GLU   4 -13.391  10.569  -2.060
   27   2HG   GLU   4          HG1       GLU   4 -11.936  10.487  -1.061
   28    H    THR   5           HN       THR   5 -10.053  11.348  -1.132
   29    HA   THR   5           HA       THR   5  -7.280  11.559  -1.870
   30    HB   THR   5           HB       THR   5  -8.452  12.295   0.788
   31    HG1  THR   5           HG1      THR   5  -9.581  13.668  -0.362
   32   1HG2  THR   5          HG21      THR   5  -5.931  12.182   0.407
   33   2HG2  THR   5          HG22      THR   5  -6.567  13.730   0.967
   34   3HG2  THR   5          HG23      THR   5  -6.150  13.512  -0.733
   35    H    LEU   6           HN       LEU   6  -7.122  11.102   1.429
   36    HA   LEU   6           HA       LEU   6  -5.700   8.623   1.049
   37   1HB   LEU   6          HB2       LEU   6  -6.030  10.279   3.543
   38   2HB   LEU   6          HB1       LEU   6  -4.841   9.034   3.256
   39    HG   LEU   6           HG       LEU   6  -4.318  10.794   1.221
   40   1HD1  LEU   6          HD11      LEU   6  -5.971  12.341   2.386
   41   2HD1  LEU   6          HD12      LEU   6  -4.378  12.998   2.020
   42   3HD1  LEU   6          HD13      LEU   6  -4.764  12.483   3.662
   43   1HD2  LEU   6          HD21      LEU   6  -3.139  10.627   3.986
   44   2HD2  LEU   6          HD22      LEU   6  -2.390  11.462   2.626
   45   3HD2  LEU   6          HD23      LEU   6  -2.645   9.718   2.557
   46    H    THR   7           HN       THR   7  -7.150   6.931   0.953
   47    HA   THR   7           HA       THR   7  -9.448   6.812   2.585
   48    HB   THR   7           HB       THR   7  -8.678   4.147   2.054
   49    HG1  THR   7           HG1      THR   7  -7.239   4.584   0.501
   50   1HG2  THR   7          HG21      THR   7 -10.753   4.063   1.233
   51   2HG2  THR   7          HG22      THR   7 -10.428   5.331   0.050
   52   3HG2  THR   7          HG23      THR   7 -10.892   5.760   1.697
   53    H    GLU   8           HN       GLU   8  -9.796   5.053   4.191
   54    HA   GLU   8           HA       GLU   8  -8.427   5.463   6.488
   55   1HB   GLU   8          HB2       GLU   8  -9.390   2.695   5.865
   56   2HB   GLU   8          HB1       GLU   8  -9.384   3.540   7.402
   57   1HG   GLU   8          HG2       GLU   8 -11.188   4.054   5.057
   58   2HG   GLU   8          HG1       GLU   8 -11.629   3.388   6.628
   59    H    LEU   9           HN       LEU   9  -7.342   3.504   3.821
   60    HA   LEU   9           HA       LEU   9  -5.500   1.881   5.133
   61   1HB   LEU   9          HB2       LEU   9  -4.937   2.996   2.451
   62   2HB   LEU   9          HB1       LEU   9  -4.679   1.373   3.024
   63    HG   LEU   9           HG       LEU   9  -7.141   2.659   1.925
   64   1HD1  LEU   9          HD11      LEU   9  -5.708   1.428   0.422
   65   2HD1  LEU   9          HD12      LEU   9  -7.235   0.574   0.642
   66   3HD1  LEU   9          HD13      LEU   9  -5.784   0.011   1.470
   67   1HD2  LEU   9          HD21      LEU   9  -7.628   0.019   3.023
   68   2HD2  LEU   9          HD22      LEU   9  -8.604   1.483   3.096
   69   3HD2  LEU   9          HD23      LEU   9  -7.320   1.221   4.269
   70    H    GLU  10           HN       GLU  10  -5.365   5.283   4.310
   71    HA   GLU  10           HA       GLU  10  -2.611   5.700   4.246
   72   1HB   GLU  10          HB2       GLU  10  -3.205   7.991   5.272
   73   2HB   GLU  10          HB1       GLU  10  -3.825   7.574   3.684
   74   1HG   GLU  10          HG2       GLU  10  -5.905   7.833   4.352
   75   2HG   GLU  10          HG1       GLU  10  -5.661   6.745   5.717
   76    H    ALA  11           HN       ALA  11  -4.834   5.327   6.944
   77    HA   ALA  11           HA       ALA  11  -3.177   6.009   9.069
   78   1HB   ALA  11          HB1       ALA  11  -5.645   5.337   9.122
   79   2HB   ALA  11          HB2       ALA  11  -4.637   4.798  10.463
   80   3HB   ALA  11          HB3       ALA  11  -5.068   3.673   9.175
   81    H    ALA  12           HN       ALA  12  -3.174   3.248   6.982
   82    HA   ALA  12           HA       ALA  12  -1.396   1.702   8.631
   83   1HB   ALA  12          HB1       ALA  12  -1.461   0.072   6.932
   84   2HB   ALA  12          HB2       ALA  12  -1.917   1.253   5.705
   85   3HB   ALA  12          HB3       ALA  12  -3.076   0.780   6.947
   86    H    ILE  13           HN       ILE  13  -1.149   4.066   6.105
   87    HA   ILE  13           HA       ILE  13   1.379   3.612   5.116
   88    HB   ILE  13           HB       ILE  13  -0.420   5.493   4.616
   89   1HG1  ILE  13          HG12      ILE  13   1.419   4.908   3.156
   90   2HG1  ILE  13          HG11      ILE  13   1.280   6.661   3.263
   91   1HG2  ILE  13          HG21      ILE  13  -0.012   7.628   5.413
   92   2HG2  ILE  13          HG22      ILE  13   1.618   7.224   5.949
   93   3HG2  ILE  13          HG23      ILE  13   0.225   6.631   6.850
   94   1HD1  ILE  13          HD11      ILE  13   3.580   6.156   3.359
   95   2HD1  ILE  13          HD12      ILE  13   3.329   4.886   4.555
   96   3HD1  ILE  13          HD13      ILE  13   3.101   6.577   5.003
   97    H    GLU  14           HN       GLU  14   0.381   4.726   8.220
   98    HA   GLU  14           HA       GLU  14   2.730   5.947   9.144
   99   1HB   GLU  14          HB2       GLU  14   1.724   5.897  11.261
  100   2HB   GLU  14          HB1       GLU  14   0.357   5.896  10.156
  101   1HG   GLU  14          HG2       GLU  14   0.162   3.466  10.417
  102   2HG   GLU  14          HG1       GLU  14   1.487   3.500  11.576
  103    H    THR  15           HN       THR  15   1.560   2.602   9.377
  104    HA   THR  15           HA       THR  15   3.740   1.613  10.887
  105    HB   THR  15           HB       THR  15   2.041   0.101   8.897
  106    HG1  THR  15           HG1      THR  15   0.856  -0.483  10.816
  107   1HG2  THR  15          HG21      THR  15   3.702  -0.890  11.215
  108   2HG2  THR  15          HG22      THR  15   4.090  -1.089   9.507
  109   3HG2  THR  15          HG23      THR  15   2.669  -1.883  10.186
  110    H    VAL  16           HN       VAL  16   3.037   1.214   7.449
  111    HA   VAL  16           HA       VAL  16   5.357   0.037   6.609
  112    HB   VAL  16           HB       VAL  16   3.402   0.314   5.182
  113   1HG1  VAL  16          HG11      VAL  16   2.841   2.411   4.159
  114   2HG1  VAL  16          HG12      VAL  16   4.227   3.200   4.909
  115   3HG1  VAL  16          HG13      VAL  16   2.887   2.636   5.907
  116   1HG2  VAL  16          HG21      VAL  16   4.547   0.750   3.112
  117   2HG2  VAL  16          HG22      VAL  16   5.643  -0.087   4.208
  118   3HG2  VAL  16          HG23      VAL  16   5.812   1.648   3.953
  119    H    VAL  17           HN       VAL  17   4.707   3.527   6.826
  120    HA   VAL  17           HA       VAL  17   7.157   4.338   5.745
  121    HB   VAL  17           HB       VAL  17   5.179   5.829   6.037
  122   1HG1  VAL  17          HG11      VAL  17   4.467   5.392   8.248
  123   2HG1  VAL  17          HG12      VAL  17   5.063   7.049   8.246
  124   3HG1  VAL  17          HG13      VAL  17   6.058   5.753   8.912
  125   1HG2  VAL  17          HG21      VAL  17   7.768   6.859   7.190
  126   2HG2  VAL  17          HG22      VAL  17   6.483   7.840   6.484
  127   3HG2  VAL  17          HG23      VAL  17   7.389   6.712   5.474
  128    H    SER  18           HN       SER  18   6.174   3.483   8.995
  129    HA   SER  18           HA       SER  18   8.642   4.353  10.192
  130   1HB   SER  18          HB2       SER  18   6.579   4.480  11.482
  131   2HB   SER  18          HB1       SER  18   6.356   2.737  11.335
  132    HG   SER  18           HG       SER  18   7.396   2.775  13.181
  133    H    THR  19           HN       THR  19   7.627   1.525   8.586
  134    HA   THR  19           HA       THR  19   9.451  -0.197  10.014
  135    HB   THR  19           HB       THR  19   8.810  -1.947   8.371
  136    HG1  THR  19           HG1      THR  19   7.473   0.243   7.214
  137   1HG2  THR  19          HG21      THR  19   6.614  -0.475   9.820
  138   2HG2  THR  19          HG22      THR  19   7.557  -1.849  10.395
  139   3HG2  THR  19          HG23      THR  19   6.399  -2.061   9.083
  140    H    PHE  20           HN       PHE  20   9.241  -0.130   6.539
  141    HA   PHE  20           HA       PHE  20  12.093  -0.457   6.272
  142   1HB   PHE  20          HB2       PHE  20  10.942  -1.936   4.918
  143   2HB   PHE  20          HB1       PHE  20   9.683  -0.771   4.550
  144    HD1  PHE  20           HD1      PHE  20  13.323  -1.353   3.914
  145    HD2  PHE  20           HD2      PHE  20   9.604   0.088   2.483
  146    HE1  PHE  20           HE1      PHE  20  14.319  -0.984   1.697
  147    HE2  PHE  20           HE2      PHE  20  10.579   0.479   0.270
  148    HZ   PHE  20           HZ       PHE  20  12.936  -0.052  -0.124
  149    H    PHE  21           HN       PHE  21   9.664   1.940   5.590
  150    HA   PHE  21           HA       PHE  21  11.404   3.517   4.045
  151   1HB   PHE  21          HB2       PHE  21   8.931   4.376   5.542
  152   2HB   PHE  21          HB1       PHE  21   9.745   5.320   4.302
  153    HD1  PHE  21           HD1      PHE  21   6.923   4.877   3.922
  154    HD2  PHE  21           HD2      PHE  21  10.180   2.295   2.927
  155    HE1  PHE  21           HE1      PHE  21   5.520   3.783   2.227
  156    HE2  PHE  21           HE2      PHE  21   8.761   1.222   1.209
  157    HZ   PHE  21           HZ       PHE  21   6.447   1.958   0.870
  158    H    THR  22           HN       THR  22  11.382   2.786   7.328
  159    HA   THR  22           HA       THR  22  12.499   5.329   8.117
  160    HB   THR  22           HB       THR  22  13.155   4.221  10.204
  161    HG1  THR  22           HG1      THR  22  13.450   2.189   9.124
  162   1HG2  THR  22          HG21      THR  22  10.849   3.754  10.962
  163   2HG2  THR  22          HG22      THR  22  10.330   3.793   9.271
  164   3HG2  THR  22          HG23      THR  22  10.980   5.242  10.030
  165    H    PHE  23           HN       PHE  23  13.650   3.004   6.107
  166    HA   PHE  23           HA       PHE  23  16.347   2.966   7.136
  167   1HB   PHE  23          HB2       PHE  23  16.520   1.083   5.954
  168   2HB   PHE  23          HB1       PHE  23  14.834   1.281   5.519
  169    HD1  PHE  23           HD1      PHE  23  14.453   0.734   3.394
  170    HD2  PHE  23           HD2      PHE  23  18.064   2.775   4.329
  171    HE1  PHE  23           HE1      PHE  23  15.138   0.614   1.043
  172    HE2  PHE  23           HE2      PHE  23  18.746   2.671   1.982
  173    HZ   PHE  23           HZ       PHE  23  17.299   1.555   0.347
  174    H    ALA  24           HN       ALA  24  14.433   4.898   5.045
  175    HA   ALA  24           HA       ALA  24  16.287   6.096   3.382
  176   1HB   ALA  24          HB1       ALA  24  13.800   7.045   4.701
  177   2HB   ALA  24          HB2       ALA  24  14.213   7.000   2.989
  178   3HB   ALA  24          HB3       ALA  24  14.865   8.269   4.018
  179    H    GLY  25           HN       GLY  25  15.748   6.492   6.780
  180   1HA   GLY  25          HA2       GLY  25  17.139   8.678   7.542
  181   2HA   GLY  25          HA1       GLY  25  17.258   7.137   8.405
  182    H    ARG  26           HN       ARG  26  18.482   5.793   6.132
  183    HA   ARG  26           HA       ARG  26  21.187   6.108   6.673
  184   1HB   ARG  26          HB2       ARG  26  20.211   4.073   5.711
  185   2HB   ARG  26          HB1       ARG  26  19.844   4.949   4.223
  186   1HG   ARG  26          HG2       ARG  26  21.962   4.800   3.468
  187   2HG   ARG  26          HG1       ARG  26  22.667   5.011   5.071
  188   1HD   ARG  26          HD2       ARG  26  22.058   2.692   5.619
  189   2HD   ARG  26          HD1       ARG  26  21.414   2.487   3.991
  190    HE   ARG  26           HE       ARG  26  23.925   3.248   3.485
  191   1HH1  ARG  26          HH11      ARG  26  22.649   0.855   5.679
  192   2HH1  ARG  26          HH12      ARG  26  24.048  -0.160   5.586
  193   1HH2  ARG  26          HH21      ARG  26  25.767   1.911   3.355
  194   2HH2  ARG  26          HH22      ARG  26  25.818   0.438   4.265
  195    H    GLU  27           HN       GLU  27  19.328   7.284   3.921
  196    HA   GLU  27           HA       GLU  27  21.655   8.696   2.940
  197   1HB   GLU  27          HB2       GLU  27  18.969   7.995   1.903
  198   2HB   GLU  27          HB1       GLU  27  19.689   9.461   1.263
  199   1HG   GLU  27          HG2       GLU  27  21.179   6.867   1.329
  200   2HG   GLU  27          HG1       GLU  27  20.102   7.293   0.001
  201    H    GLY  28           HN       GLY  28  20.618  10.929   1.888
  202   1HA   GLY  28          HA2       GLY  28  20.962  12.990   3.443
  203   2HA   GLY  28          HA1       GLY  28  19.641  13.023   2.294
  204    H    ARG  29           HN       ARG  29  19.972  14.364   4.834
  205    HA   ARG  29           HA       ARG  29  18.739  13.365   7.000
  206   1HB   ARG  29          HB2       ARG  29  18.108  15.610   7.638
  207   2HB   ARG  29          HB1       ARG  29  19.697  15.615   6.893
  208   1HG   ARG  29          HG2       ARG  29  17.125  16.458   5.568
  209   2HG   ARG  29          HG1       ARG  29  18.366  17.528   6.204
  210   1HD   ARG  29          HD2       ARG  29  19.982  16.507   4.610
  211   2HD   ARG  29          HD1       ARG  29  18.648  15.600   3.903
  212    HE   ARG  29           HE       ARG  29  17.958  18.306   3.907
  213   1HH1  ARG  29          HH11      ARG  29  20.249  16.157   2.404
  214   2HH1  ARG  29          HH12      ARG  29  20.382  17.100   0.957
  215   1HH2  ARG  29          HH21      ARG  29  18.123  19.556   2.004
  216   2HH2  ARG  29          HH22      ARG  29  19.174  19.032   0.729
  217    H    LYS  30           HN       LYS  30  16.892  14.991   4.369
  218    HA   LYS  30           HA       LYS  30  14.642  13.294   5.123
  219   1HB   LYS  30          HB2       LYS  30  14.288  16.282   4.805
  220   2HB   LYS  30          HB1       LYS  30  13.086  15.101   5.314
  221   1HG   LYS  30          HG2       LYS  30  14.333  14.671   7.357
  222   2HG   LYS  30          HG1       LYS  30  15.567  15.829   6.854
  223   1HD   LYS  30          HD2       LYS  30  13.891  17.615   6.872
  224   2HD   LYS  30          HD1       LYS  30  12.661  16.455   7.376
  225   1HE   LYS  30          HE2       LYS  30  13.911  16.020   9.432
  226   2HE   LYS  30          HE1       LYS  30  15.150  17.167   8.925
  227   1HZ   LYS  30          HZ1       LYS  30  13.463  18.917   8.957
  228   2HZ   LYS  30          HZ2       LYS  30  13.636  18.193  10.476
  229   3HZ   LYS  30          HZ3       LYS  30  12.308  17.806   9.503
  230    H    GLY  31           HN       GLY  31  16.034  12.809   2.868
  231   1HA   GLY  31          HA2       GLY  31  14.417  14.000   0.687
  232   2HA   GLY  31          HA1       GLY  31  15.969  13.190   0.473
  233    H    SER  32           HN       SER  32  15.996  10.991   0.224
  234    HA   SER  32           HA       SER  32  13.476   9.609   0.701
  235   1HB   SER  32          HB2       SER  32  14.065   8.408  -1.609
  236   2HB   SER  32          HB1       SER  32  13.053   9.850  -1.542
  237    HG   SER  32           HG       SER  32  15.319   9.537  -2.841
  238    H    LEU  33           HN       LEU  33  13.787   7.220   0.314
  239    HA   LEU  33           HA       LEU  33  16.297   6.516   1.566
  240   1HB   LEU  33          HB2       LEU  33  15.128   4.877   2.552
  241   2HB   LEU  33          HB1       LEU  33  13.718   5.540   1.800
  242    HG   LEU  33           HG       LEU  33  15.390   3.251   0.816
  243   1HD1  LEU  33          HD11      LEU  33  13.571   1.863   1.355
  244   2HD1  LEU  33          HD12      LEU  33  12.494   3.223   1.594
  245   3HD1  LEU  33          HD13      LEU  33  13.787   2.918   2.745
  246   1HD2  LEU  33          HD21      LEU  33  14.610   3.531  -1.233
  247   2HD2  LEU  33          HD22      LEU  33  13.760   4.987  -0.711
  248   3HD2  LEU  33          HD23      LEU  33  12.967   3.417  -0.606
  249    H    ASN  34           HN       ASN  34  17.632   4.786   0.687
  250    HA   ASN  34           HA       ASN  34  17.419   4.950  -2.241
  251   1HB   ASN  34          HB2       ASN  34  19.884   4.663  -2.253
  252   2HB   ASN  34          HB1       ASN  34  19.379   6.059  -1.303
  253   1HD2  ASN  34          HD21      ASN  34  19.253   5.779   1.034
  254   2HD2  ASN  34          HD22      ASN  34  20.362   4.703   1.806
  255    H    ILE  35           HN       ILE  35  19.745   2.715  -1.710
  256    HA   ILE  35           HA       ILE  35  17.924   0.572  -1.209
  257    HB   ILE  35           HB       ILE  35  19.022  -0.679  -3.169
  258   1HG1  ILE  35          HG12      ILE  35  19.848   0.680  -4.976
  259   2HG1  ILE  35          HG11      ILE  35  19.410   2.163  -4.138
  260   1HG2  ILE  35          HG21      ILE  35  17.201  -0.074  -4.531
  261   2HG2  ILE  35          HG22      ILE  35  17.211   1.586  -3.951
  262   3HG2  ILE  35          HG23      ILE  35  16.653   0.288  -2.898
  263   1HD1  ILE  35          HD11      ILE  35  21.136   1.688  -2.459
  264   2HD1  ILE  35          HD12      ILE  35  21.792   1.831  -4.086
  265   3HD1  ILE  35          HD13      ILE  35  21.587   0.243  -3.355
  266    H    ASN  36           HN       ASN  36  20.065   1.799   0.280
  267    HA   ASN  36           HA       ASN  36  22.220  -0.123   0.317
  268   1HB   ASN  36          HB2       ASN  36  21.569   2.284   2.021
  269   2HB   ASN  36          HB1       ASN  36  22.922   1.213   2.379
  270   1HD2  ASN  36          HD21      ASN  36  22.921   4.036   1.660
  271   2HD2  ASN  36          HD22      ASN  36  23.897   4.171   0.241
  272    H    GLU  37           HN       GLU  37  19.878   0.969   2.806
  273    HA   GLU  37           HA       GLU  37  20.240  -1.511   4.185
  274   1HB   GLU  37          HB2       GLU  37  17.871   0.233   4.648
  275   2HB   GLU  37          HB1       GLU  37  18.707  -0.805   5.774
  276   1HG   GLU  37          HG2       GLU  37  20.681   0.672   5.547
  277   2HG   GLU  37          HG1       GLU  37  19.672   1.805   4.639
  278    H    PHE  38           HN       PHE  38  18.262  -0.412   1.552
  279    HA   PHE  38           HA       PHE  38  16.122  -2.137   1.695
  280   1HB   PHE  38          HB2       PHE  38  16.570  -0.349  -0.028
  281   2HB   PHE  38          HB1       PHE  38  17.724  -1.436  -0.789
  282    HD1  PHE  38           HD1      PHE  38  16.588  -3.897  -1.199
  283    HD2  PHE  38           HD2      PHE  38  14.596  -0.155  -1.051
  284    HE1  PHE  38           HE1      PHE  38  14.748  -4.831  -2.546
  285    HE2  PHE  38           HE2      PHE  38  12.742  -1.067  -2.383
  286    HZ   PHE  38           HZ       PHE  38  12.820  -3.415  -3.142
  287    H    LYS  39           HN       LYS  39  19.480  -2.649   1.106
  288    HA   LYS  39           HA       LYS  39  19.380  -5.164  -0.028
  289   1HB   LYS  39          HB2       LYS  39  21.532  -4.031   1.703
  290   2HB   LYS  39          HB1       LYS  39  21.714  -5.321   0.516
  291   1HG   LYS  39          HG2       LYS  39  20.801  -3.622  -1.164
  292   2HG   LYS  39          HG1       LYS  39  21.203  -2.424   0.065
  293   1HD   LYS  39          HD2       LYS  39  23.195  -4.464  -0.843
  294   2HD   LYS  39          HD1       LYS  39  23.019  -2.899  -1.657
  295   1HE   LYS  39          HE2       LYS  39  23.393  -1.788   0.539
  296   2HE   LYS  39          HE1       LYS  39  23.706  -3.370   1.246
  297   1HZ   LYS  39          HZ1       LYS  39  25.758  -2.248   0.688
  298   2HZ   LYS  39          HZ2       LYS  39  25.279  -2.095  -0.927
  299   3HZ   LYS  39          HZ3       LYS  39  25.575  -3.628  -0.275
  300    H    GLU  40           HN       GLU  40  18.634  -4.187   3.000
  301    HA   GLU  40           HA       GLU  40  19.073  -6.705   4.311
  302   1HB   GLU  40          HB2       GLU  40  18.389  -5.651   6.257
  303   2HB   GLU  40          HB1       GLU  40  18.960  -4.262   5.335
  304   1HG   GLU  40          HG2       GLU  40  16.638  -3.820   4.635
  305   2HG   GLU  40          HG1       GLU  40  16.102  -5.154   5.652
  306    H    LEU  41           HN       LEU  41  16.831  -5.430   2.125
  307    HA   LEU  41           HA       LEU  41  14.442  -6.596   3.050
  308   1HB   LEU  41          HB2       LEU  41  15.199  -5.711   0.270
  309   2HB   LEU  41          HB1       LEU  41  13.580  -6.109   0.797
  310    HG   LEU  41           HG       LEU  41  15.207  -3.683   1.307
  311   1HD1  LEU  41          HD11      LEU  41  12.575  -2.999   1.298
  312   2HD1  LEU  41          HD12      LEU  41  12.584  -4.421   0.255
  313   3HD1  LEU  41          HD13      LEU  41  13.620  -3.046  -0.119
  314   1HD2  LEU  41          HD21      LEU  41  13.956  -3.064   3.272
  315   2HD2  LEU  41          HD22      LEU  41  14.730  -4.618   3.580
  316   3HD2  LEU  41          HD23      LEU  41  13.010  -4.550   3.195
  317    H    ALA  42           HN       ALA  42  15.434  -7.496  -0.219
  318    HA   ALA  42           HA       ALA  42  14.414  -9.937  -0.358
  319   1HB   ALA  42          HB1       ALA  42  16.237 -10.566  -1.900
  320   2HB   ALA  42          HB2       ALA  42  17.021  -9.054  -1.467
  321   3HB   ALA  42          HB3       ALA  42  15.445  -9.032  -2.243
  322    H    THR  43           HN       THR  43  17.342  -9.124   1.359
  323    HA   THR  43           HA       THR  43  18.461 -11.628   1.686
  324    HB   THR  43           HB       THR  43  19.180 -10.377   3.954
  325    HG1  THR  43           HG1      THR  43  18.836  -8.123   2.318
  326   1HG2  THR  43          HG21      THR  43  21.020  -9.353   2.658
  327   2HG2  THR  43          HG22      THR  43  20.128  -9.696   1.177
  328   3HG2  THR  43          HG23      THR  43  20.710 -11.022   2.180
  329    H    GLN  44           HN       GLN  44  16.519  -9.888   4.145
  330    HA   GLN  44           HA       GLN  44  15.939 -12.315   5.535
  331   1HB   GLN  44          HB2       GLN  44  16.207 -10.321   6.866
  332   2HB   GLN  44          HB1       GLN  44  15.029  -9.457   5.888
  333   1HG   GLN  44          HG2       GLN  44  14.081 -10.062   8.024
  334   2HG   GLN  44          HG1       GLN  44  13.263 -10.923   6.720
  335   1HE2  GLN  44          HE21      GLN  44  13.557 -13.136   6.502
  336   2HE2  GLN  44          HE22      GLN  44  14.213 -14.107   7.772
  337    H    GLN  45           HN       GLN  45  14.414 -10.166   3.302
  338    HA   GLN  45           HA       GLN  45  11.788 -11.069   3.422
  339   1HB   GLN  45          HB2       GLN  45  13.509  -9.918   1.270
  340   2HB   GLN  45          HB1       GLN  45  11.882 -10.461   0.897
  341   1HG   GLN  45          HG2       GLN  45  11.557  -8.914   3.145
  342   2HG   GLN  45          HG1       GLN  45  12.796  -8.057   2.215
  343   1HE2  GLN  45          HE21      GLN  45  12.287  -7.320   0.150
  344   2HE2  GLN  45          HE22      GLN  45  10.656  -7.130  -0.352
  345    H    LEU  46           HN       LEU  46  14.684 -12.421   2.046
  346    HA   LEU  46           HA       LEU  46  13.814 -14.260   0.253
  347   1HB   LEU  46          HB2       LEU  46  16.037 -14.247   2.191
  348   2HB   LEU  46          HB1       LEU  46  15.583 -15.819   1.587
  349    HG   LEU  46           HG       LEU  46  16.562 -13.466  -0.042
  350   1HD1  LEU  46          HD11      LEU  46  18.266 -14.749   1.177
  351   2HD1  LEU  46          HD12      LEU  46  18.409 -14.931  -0.572
  352   3HD1  LEU  46          HD13      LEU  46  17.697 -16.224   0.393
  353   1HD2  LEU  46          HD21      LEU  46  15.433 -16.123  -0.913
  354   2HD2  LEU  46          HD22      LEU  46  16.417 -15.091  -1.950
  355   3HD2  LEU  46          HD23      LEU  46  14.863 -14.512  -1.352
  356    HA   PRO  47           HA       PRO  47  12.286 -17.438   3.256
  357   1HB   PRO  47          HB2       PRO  47  12.807 -17.324   5.908
  358   2HB   PRO  47          HB1       PRO  47  13.892 -18.114   4.762
  359   1HG   PRO  47          HG2       PRO  47  14.093 -15.437   6.056
  360   2HG   PRO  47          HG1       PRO  47  15.375 -16.601   5.677
  361   1HD   PRO  47          HD2       PRO  47  14.833 -14.371   4.172
  362   2HD   PRO  47          HD1       PRO  47  15.588 -15.846   3.535
  363    H    HIS  48           HN       HIS  48  10.528 -16.114   2.697
  364    HA   HIS  48           HA       HIS  48   9.209 -14.691   4.869
  365   1HB   HIS  48          HB2       HIS  48   9.137 -14.495   1.965
  366   2HB   HIS  48          HB1       HIS  48   7.518 -14.680   2.628
  367    HD1  HIS  48           HD1      HIS  48  10.224 -12.256   2.201
  368    HD2  HIS  48           HD2      HIS  48   6.834 -12.648   4.570
  369    HE1  HIS  48           HE1      HIS  48   9.823  -9.978   3.182
  370    HE2  HIS  48           HE2      HIS  48   7.828 -10.267   4.694
  371    H    LEU  49           HN       LEU  49   6.543 -15.235   4.150
  372    HA   LEU  49           HA       LEU  49   6.256 -17.944   5.096
  373   1HB   LEU  49          HB2       LEU  49   4.260 -15.837   4.232
  374   2HB   LEU  49          HB1       LEU  49   3.777 -17.457   4.696
  375    HG   LEU  49           HG       LEU  49   5.159 -15.443   6.471
  376   1HD1  LEU  49          HD11      LEU  49   2.342 -16.517   6.492
  377   2HD1  LEU  49          HD12      LEU  49   2.831 -14.886   6.035
  378   3HD1  LEU  49          HD13      LEU  49   3.043 -15.437   7.697
  379   1HD2  LEU  49          HD21      LEU  49   4.755 -17.088   8.258
  380   2HD2  LEU  49          HD22      LEU  49   5.865 -17.691   7.028
  381   3HD2  LEU  49          HD23      LEU  49   4.188 -18.239   7.047
  382    H    LEU  50           HN       LEU  50   4.371 -16.557   2.439
  383    HA   LEU  50           HA       LEU  50   5.013 -18.831   0.750
  384   1HB   LEU  50          HB2       LEU  50   2.696 -17.984   0.879
  385   2HB   LEU  50          HB1       LEU  50   3.231 -16.442   0.237
  386    HG   LEU  50           HG       LEU  50   3.845 -17.522  -1.876
  387   1HD1  LEU  50          HD11      LEU  50   3.216 -19.848  -2.295
  388   2HD1  LEU  50          HD12      LEU  50   2.742 -20.022  -0.605
  389   3HD1  LEU  50          HD13      LEU  50   4.429 -19.723  -1.022
  390   1HD2  LEU  50          HD21      LEU  50   1.578 -18.051  -2.643
  391   2HD2  LEU  50          HD22      LEU  50   1.608 -16.603  -1.635
  392   3HD2  LEU  50          HD23      LEU  50   1.036 -18.133  -0.967
  393    H    LYS  51           HN       LYS  51   7.329 -17.700   1.108
  394    HA   LYS  51           HA       LYS  51   8.214 -15.450  -0.011
  395   1HB   LYS  51          HB2       LYS  51   9.729 -16.913   1.114
  396   2HB   LYS  51          HB1       LYS  51   9.536 -18.153  -0.121
  397   1HG   LYS  51          HG2       LYS  51  10.517 -16.490  -1.747
  398   2HG   LYS  51          HG1       LYS  51  10.960 -15.496  -0.361
  399   1HD   LYS  51          HD2       LYS  51  12.177 -17.947  -1.446
  400   2HD   LYS  51          HD1       LYS  51  12.895 -16.658  -0.490
  401   1HE   LYS  51          HE2       LYS  51  11.758 -17.690   1.515
  402   2HE   LYS  51          HE1       LYS  51  11.370 -19.062   0.488
  403   1HZ   LYS  51          HZ1       LYS  51  13.386 -19.467   1.734
  404   2HZ   LYS  51          HZ2       LYS  51  14.100 -18.069   1.104
  405   3HZ   LYS  51          HZ3       LYS  51  13.740 -19.369   0.082
  406    H    ASP  52           HN       ASP  52   9.102 -14.766  -1.916
  407    HA   ASP  52           HA       ASP  52   7.898 -15.895  -4.338
  408   1HB   ASP  52          HB2       ASP  52   9.058 -13.181  -3.694
  409   2HB   ASP  52          HB1       ASP  52   8.683 -13.675  -5.344
  410    H    VAL  53           HN       VAL  53  10.938 -15.034  -2.878
  411    HA   VAL  53           HA       VAL  53  12.921 -16.217  -3.071
  412    HB   VAL  53           HB       VAL  53  12.089 -16.732  -5.884
  413   1HG1  VAL  53          HG11      VAL  53  14.497 -17.704  -4.367
  414   2HG1  VAL  53          HG12      VAL  53  14.494 -16.605  -5.747
  415   3HG1  VAL  53          HG13      VAL  53  14.010 -18.288  -5.959
  416   1HG2  VAL  53          HG21      VAL  53  12.099 -18.506  -3.464
  417   2HG2  VAL  53          HG22      VAL  53  11.961 -19.120  -5.111
  418   3HG2  VAL  53          HG23      VAL  53  10.718 -18.054  -4.461
  419    H    GLY  54           HN       GLY  54  13.437 -13.929  -2.718
  420   1HA   GLY  54          HA2       GLY  54  13.963 -12.125  -4.793
  421   2HA   GLY  54          HA1       GLY  54  14.765 -12.108  -3.225
  422    H    SER  55           HN       SER  55  15.035 -12.848  -6.552
  423    HA   SER  55           HA       SER  55  17.336 -14.536  -6.398
  424   1HB   SER  55          HB2       SER  55  17.423 -14.337  -8.795
  425   2HB   SER  55          HB1       SER  55  15.728 -14.467  -8.328
  426    HG   SER  55           HG       SER  55  15.567 -12.726  -9.513
  427    H    LEU  56           HN       LEU  56  19.468 -14.037  -6.494
  428    HA   LEU  56           HA       LEU  56  20.519 -11.753  -5.481
  429   1HB   LEU  56          HB2       LEU  56  21.841 -13.752  -5.861
  430   2HB   LEU  56          HB1       LEU  56  21.754 -13.514  -7.596
  431    HG   LEU  56           HG       LEU  56  23.050 -11.427  -7.363
  432   1HD1  LEU  56          HD11      LEU  56  24.199 -11.008  -5.203
  433   2HD1  LEU  56          HD12      LEU  56  23.167 -12.231  -4.462
  434   3HD1  LEU  56          HD13      LEU  56  22.453 -10.766  -5.136
  435   1HD2  LEU  56          HD21      LEU  56  24.370 -13.836  -6.118
  436   2HD2  LEU  56          HD22      LEU  56  25.191 -12.477  -6.885
  437   3HD2  LEU  56          HD23      LEU  56  24.173 -13.548  -7.847
  438    H    ASP  57           HN       ASP  57  20.466 -12.405  -8.999
  439    HA   ASP  57           HA       ASP  57  21.344  -9.949  -9.877
  440   1HB   ASP  57          HB2       ASP  57  19.697 -10.406 -11.849
  441   2HB   ASP  57          HB1       ASP  57  21.109 -11.439 -11.622
  442    H    GLU  58           HN       GLU  58  17.979 -10.947  -9.386
  443    HA   GLU  58           HA       GLU  58  16.730  -8.557 -10.034
  444   1HB   GLU  58          HB2       GLU  58  15.505 -10.654  -9.618
  445   2HB   GLU  58          HB1       GLU  58  15.922 -10.563  -7.911
  446   1HG   GLU  58          HG2       GLU  58  13.669  -9.823  -8.204
  447   2HG   GLU  58          HG1       GLU  58  14.674  -8.444  -7.758
  448    H    LYS  59           HN       LYS  59  18.154  -9.676  -7.025
  449    HA   LYS  59           HA       LYS  59  17.447  -7.397  -5.520
  450   1HB   LYS  59          HB2       LYS  59  19.695  -9.343  -5.010
  451   2HB   LYS  59          HB1       LYS  59  18.990  -8.262  -3.842
  452   1HG   LYS  59          HG2       LYS  59  17.072  -9.494  -3.604
  453   2HG   LYS  59          HG1       LYS  59  17.201 -10.192  -5.210
  454   1HD   LYS  59          HD2       LYS  59  17.619 -11.759  -3.280
  455   2HD   LYS  59          HD1       LYS  59  18.870 -11.718  -4.517
  456   1HE   LYS  59          HE2       LYS  59  20.094 -10.069  -3.050
  457   2HE   LYS  59          HE1       LYS  59  18.910 -10.435  -1.795
  458   1HZ   LYS  59          HZ1       LYS  59  20.881 -11.770  -1.505
  459   2HZ   LYS  59          HZ2       LYS  59  20.752 -12.380  -3.077
  460   3HZ   LYS  59          HZ3       LYS  59  19.579 -12.769  -1.921
  461    H    MET  60           HN       MET  60  19.943  -8.050  -7.785
  462    HA   MET  60           HA       MET  60  21.671  -5.952  -6.935
  463   1HB   MET  60          HB2       MET  60  21.618  -7.717  -9.377
  464   2HB   MET  60          HB1       MET  60  22.802  -6.432  -9.170
  465   1HG   MET  60          HG2       MET  60  23.589  -7.497  -7.111
  466   2HG   MET  60          HG1       MET  60  22.418  -8.794  -7.346
  467   1HE   MET  60          HE1       MET  60  25.973 -10.385  -8.108
  468   2HE   MET  60          HE2       MET  60  24.619 -10.337  -6.980
  469   3HE   MET  60          HE3       MET  60  25.756  -8.992  -7.050
  470    H    LYS  61           HN       LYS  61  19.235  -6.388  -9.441
  471    HA   LYS  61           HA       LYS  61  19.728  -3.814 -10.653
  472   1HB   LYS  61          HB2       LYS  61  17.114  -5.077 -11.135
  473   2HB   LYS  61          HB1       LYS  61  18.292  -4.456 -12.289
  474   1HG   LYS  61          HG2       LYS  61  19.635  -6.551 -11.830
  475   2HG   LYS  61          HG1       LYS  61  18.211  -7.145 -10.964
  476   1HD   LYS  61          HD2       LYS  61  16.865  -6.900 -12.980
  477   2HD   LYS  61          HD1       LYS  61  18.262  -6.262 -13.851
  478   1HE   LYS  61          HE2       LYS  61  18.026  -9.020 -12.653
  479   2HE   LYS  61          HE1       LYS  61  17.894  -8.622 -14.366
  480   1HZ   LYS  61          HZ1       LYS  61  20.302  -8.253 -12.665
  481   2HZ   LYS  61          HZ2       LYS  61  20.184  -7.807 -14.292
  482   3HZ   LYS  61          HZ3       LYS  61  20.092  -9.438 -13.854
  483    H    THR  62           HN       THR  62  17.198  -5.257  -8.686
  484    HA   THR  62           HA       THR  62  15.412  -3.216  -8.529
  485    HB   THR  62           HB       THR  62  16.196  -4.948  -6.184
  486    HG1  THR  62           HG1      THR  62  15.433  -5.860  -8.409
  487   1HG2  THR  62          HG21      THR  62  14.793  -3.154  -5.451
  488   2HG2  THR  62          HG22      THR  62  13.777  -4.588  -5.582
  489   3HG2  THR  62          HG23      THR  62  13.722  -3.357  -6.835
  490    H    LEU  63           HN       LEU  63  18.574  -3.328  -7.106
  491    HA   LEU  63           HA       LEU  63  18.346  -1.390  -5.135
  492   1HB   LEU  63          HB2       LEU  63  20.603  -2.137  -6.956
  493   2HB   LEU  63          HB1       LEU  63  20.779  -0.855  -5.773
  494    HG   LEU  63           HG       LEU  63  19.715  -3.200  -4.510
  495   1HD1  LEU  63          HD11      LEU  63  22.355  -3.601  -5.891
  496   2HD1  LEU  63          HD12      LEU  63  20.836  -4.347  -6.375
  497   3HD1  LEU  63          HD13      LEU  63  21.538  -4.728  -4.806
  498   1HD2  LEU  63          HD21      LEU  63  21.792  -2.927  -3.153
  499   2HD2  LEU  63          HD22      LEU  63  20.784  -1.489  -3.269
  500   3HD2  LEU  63          HD23      LEU  63  22.251  -1.612  -4.236
  501    H    ASP  64           HN       ASP  64  19.392  -0.950  -8.499
  502    HA   ASP  64           HA       ASP  64  19.228   1.893  -8.384
  503   1HB   ASP  64          HB2       ASP  64  19.479  -0.047 -10.682
  504   2HB   ASP  64          HB1       ASP  64  19.458   1.700 -10.904
  505    H    VAL  65           HN       VAL  65  17.081  -0.668  -9.492
  506    HA   VAL  65           HA       VAL  65  15.204   0.913 -10.833
  507    HB   VAL  65           HB       VAL  65  14.681  -1.640  -9.306
  508   1HG1  VAL  65          HG11      VAL  65  12.630  -0.445  -9.834
  509   2HG1  VAL  65          HG12      VAL  65  12.776  -1.892 -10.831
  510   3HG1  VAL  65          HG13      VAL  65  13.126  -0.308 -11.521
  511   1HG2  VAL  65          HG21      VAL  65  15.008  -2.759 -11.456
  512   2HG2  VAL  65          HG22      VAL  65  16.465  -1.904 -10.952
  513   3HG2  VAL  65          HG23      VAL  65  15.426  -1.215 -12.198
  514    H    ASN  66           HN       ASN  66  14.774  -0.488  -7.555
  515    HA   ASN  66           HA       ASN  66  12.749   1.492  -6.986
  516   1HB   ASN  66          HB2       ASN  66  13.847  -0.427  -4.939
  517   2HB   ASN  66          HB1       ASN  66  12.266   0.327  -5.018
  518   1HD2  ASN  66          HD21      ASN  66  11.555  -1.889  -4.676
  519   2HD2  ASN  66          HD22      ASN  66  11.344  -2.911  -6.053
  520    H    GLN  67           HN       GLN  67  15.144   2.823  -7.428
  521    HA   GLN  67           HA       GLN  67  16.761   3.368  -5.234
  522   1HB   GLN  67          HB2       GLN  67  17.448   4.316  -7.268
  523   2HB   GLN  67          HB1       GLN  67  15.856   4.961  -7.632
  524   1HG   GLN  67          HG2       GLN  67  17.251   5.958  -5.289
  525   2HG   GLN  67          HG1       GLN  67  17.908   6.455  -6.835
  526   1HE2  GLN  67          HE21      GLN  67  15.584   6.906  -4.427
  527   2HE2  GLN  67          HE22      GLN  67  14.622   8.100  -5.200
  528    H    ASP  68           HN       ASP  68  14.046   5.079  -6.490
  529    HA   ASP  68           HA       ASP  68  13.484   6.583  -4.130
  530   1HB   ASP  68          HB2       ASP  68  11.553   6.168  -6.382
  531   2HB   ASP  68          HB1       ASP  68  11.756   7.586  -5.365
  532    H    SER  69           HN       SER  69  13.365   3.619  -3.737
  533    HA   SER  69           HA       SER  69  10.751   2.667  -3.747
  534   1HB   SER  69          HB2       SER  69  12.699   1.195  -3.377
  535   2HB   SER  69          HB1       SER  69  12.989   1.971  -1.822
  536    HG   SER  69           HG       SER  69  10.618   1.279  -1.501
  537    H    GLU  70           HN       GLU  70  12.242   5.062  -1.849
  538    HA   GLU  70           HA       GLU  70   9.772   5.432  -0.367
  539   1HB   GLU  70          HB2       GLU  70  10.820   4.522   1.461
  540   2HB   GLU  70          HB1       GLU  70  12.391   4.927   0.844
  541   1HG   GLU  70          HG2       GLU  70  12.192   7.206   1.526
  542   2HG   GLU  70          HG1       GLU  70  10.518   6.940   2.013
  543    H    LEU  71           HN       LEU  71   9.566   7.538   0.541
  544    HA   LEU  71           HA       LEU  71  11.356   9.548  -0.489
  545   1HB   LEU  71          HB2       LEU  71   9.647   9.361  -2.055
  546   2HB   LEU  71          HB1       LEU  71   8.418   9.224  -0.818
  547    HG   LEU  71           HG       LEU  71   8.516  11.301  -2.036
  548   1HD1  LEU  71          HD11      LEU  71   7.979  10.849   0.607
  549   2HD1  LEU  71          HD12      LEU  71   7.340  12.126  -0.422
  550   3HD1  LEU  71          HD13      LEU  71   8.782  12.397   0.519
  551   1HD2  LEU  71          HD21      LEU  71  10.289  12.938  -1.236
  552   2HD2  LEU  71          HD22      LEU  71  10.749  11.741  -2.406
  553   3HD2  LEU  71          HD23      LEU  71  11.144  11.506  -0.736
  554    H    ARG  72           HN       ARG  72  11.653  11.249   0.871
  555    HA   ARG  72           HA       ARG  72  10.075  11.427   3.329
  556   1HB   ARG  72          HB2       ARG  72  12.708  12.773   2.767
  557   2HB   ARG  72          HB1       ARG  72  11.962  12.485   4.330
  558   1HG   ARG  72          HG2       ARG  72  13.254  10.504   2.495
  559   2HG   ARG  72          HG1       ARG  72  13.748  10.957   4.127
  560   1HD   ARG  72          HD2       ARG  72  11.350   9.369   3.264
  561   2HD   ARG  72          HD1       ARG  72  12.703   8.843   4.265
  562    HE   ARG  72           HE       ARG  72  10.407  10.389   5.110
  563   1HH1  ARG  72          HH11      ARG  72  13.648   9.343   5.870
  564   2HH1  ARG  72          HH12      ARG  72  13.457   9.576   7.575
  565   1HH2  ARG  72          HH21      ARG  72  10.157  10.701   7.351
  566   2HH2  ARG  72          HH22      ARG  72  11.476  10.347   8.416
  567    H    PHE  73           HN       PHE  73  11.073  13.030   0.447
  568    HA   PHE  73           HA       PHE  73   9.688  15.484   1.078
  569   1HB   PHE  73          HB2       PHE  73  10.619  16.320  -1.123
  570   2HB   PHE  73          HB1       PHE  73  11.787  16.026   0.145
  571    HD1  PHE  73           HD1      PHE  73  12.738  13.455  -0.061
  572    HD2  PHE  73           HD2      PHE  73  11.299  15.841  -3.240
  573    HE1  PHE  73           HE1      PHE  73  14.028  12.091  -1.623
  574    HE2  PHE  73           HE2      PHE  73  12.607  14.508  -4.831
  575    HZ   PHE  73           HZ       PHE  73  13.981  12.629  -4.030
  576    H    SER  74           HN       SER  74   9.701  14.538  -2.348
  577    HA   SER  74           HA       SER  74   6.811  14.233  -2.092
  578   1HB   SER  74          HB2       SER  74   6.711  15.179  -4.467
  579   2HB   SER  74          HB1       SER  74   7.036  16.308  -3.146
  580    HG   SER  74           HG       SER  74   8.459  16.530  -4.983
  581    H    GLU  75           HN       GLU  75   9.581  12.776  -3.389
  582    HA   GLU  75           HA       GLU  75   8.437  11.266  -5.420
  583   1HB   GLU  75          HB2       GLU  75  10.660  10.388  -3.576
  584   2HB   GLU  75          HB1       GLU  75  10.349   9.778  -5.192
  585   1HG   GLU  75          HG2       GLU  75  11.079  12.620  -4.581
  586   2HG   GLU  75          HG1       GLU  75  12.241  11.373  -5.012
  587    H    TYR  76           HN       TYR  76   6.834  11.140  -2.688
  588    HA   TYR  76           HA       TYR  76   6.980   8.530  -1.774
  589   1HB   TYR  76          HB2       TYR  76   5.240  10.777  -1.320
  590   2HB   TYR  76          HB1       TYR  76   4.384   9.248  -1.239
  591    HD1  TYR  76           HD1      TYR  76   6.757   7.657  -0.094
  592    HD2  TYR  76           HD2      TYR  76   5.049  11.400   0.898
  593    HE1  TYR  76           HE1      TYR  76   7.659   7.444   2.137
  594    HE2  TYR  76           HE2      TYR  76   5.937  11.205   3.170
  595    HH   TYR  76           HH       TYR  76   8.263   8.942   4.055
  596    H    TRP  77           HN       TRP  77   5.717   9.913  -4.560
  597    HA   TRP  77           HA       TRP  77   3.623   8.094  -5.127
  598   1HB   TRP  77          HB2       TRP  77   4.047   8.690  -7.531
  599   2HB   TRP  77          HB1       TRP  77   3.799  10.076  -6.478
  600    HD1  TRP  77           HD1      TRP  77   6.813   8.084  -7.884
  601    HE1  TRP  77           HE1      TRP  77   8.698   9.758  -8.386
  602    HE3  TRP  77           HE3      TRP  77   4.554  12.355  -6.267
  603    HZ2  TRP  77           HZ2      TRP  77   9.155  12.538  -8.143
  604    HZ3  TRP  77           HZ3      TRP  77   5.767  14.479  -6.428
  605    HH2  TRP  77           HH2      TRP  77   8.026  14.571  -7.349
  606    H    ARG  78           HN       ARG  78   6.968   7.520  -4.759
  607    HA   ARG  78           HA       ARG  78   7.051   5.388  -6.736
  608   1HB   ARG  78          HB2       ARG  78   9.006   6.542  -4.753
  609   2HB   ARG  78          HB1       ARG  78   9.356   5.054  -5.635
  610   1HG   ARG  78          HG2       ARG  78   8.465   7.410  -7.173
  611   2HG   ARG  78          HG1       ARG  78  10.092   7.431  -6.528
  612   1HD   ARG  78          HD2       ARG  78  10.330   5.097  -7.560
  613   2HD   ARG  78          HD1       ARG  78   8.866   5.486  -8.458
  614    HE   ARG  78           HE       ARG  78  10.725   7.559  -8.801
  615   1HH1  ARG  78          HH11      ARG  78  10.226   4.224  -9.670
  616   2HH1  ARG  78          HH12      ARG  78  11.143   4.331 -11.135
  617   1HH2  ARG  78          HH21      ARG  78  11.943   7.710 -10.730
  618   2HH2  ARG  78          HH22      ARG  78  12.119   6.312 -11.737
  619    H    LEU  79           HN       LEU  79   6.342   5.962  -3.463
  620    HA   LEU  79           HA       LEU  79   6.558   3.290  -2.550
  621   1HB   LEU  79          HB2       LEU  79   5.427   5.791  -1.356
  622   2HB   LEU  79          HB1       LEU  79   5.588   4.261  -0.498
  623    HG   LEU  79           HG       LEU  79   8.042   4.399  -1.172
  624   1HD1  LEU  79          HD11      LEU  79   8.674   6.034  -2.443
  625   2HD1  LEU  79          HD12      LEU  79   8.456   7.086  -1.046
  626   3HD1  LEU  79          HD13      LEU  79   7.157   6.879  -2.200
  627   1HD2  LEU  79          HD21      LEU  79   8.106   6.384   0.731
  628   2HD2  LEU  79          HD22      LEU  79   8.134   4.655   1.021
  629   3HD2  LEU  79          HD23      LEU  79   6.600   5.528   1.030
  630    H    ILE  80           HN       ILE  80   4.334   4.990  -4.375
  631    HA   ILE  80           HA       ILE  80   1.947   4.097  -3.325
  632    HB   ILE  80           HB       ILE  80   2.268   5.857  -5.101
  633   1HG1  ILE  80          HG12      ILE  80   0.220   3.777  -5.861
  634   2HG1  ILE  80          HG11      ILE  80   0.041   4.837  -4.465
  635   1HG2  ILE  80          HG21      ILE  80   2.412   5.248  -7.375
  636   2HG2  ILE  80          HG22      ILE  80   2.263   3.534  -6.990
  637   3HG2  ILE  80          HG23      ILE  80   3.708   4.422  -6.516
  638   1HD1  ILE  80          HD11      ILE  80  -1.200   5.696  -6.350
  639   2HD1  ILE  80          HD12      ILE  80   0.257   5.691  -7.344
  640   3HD1  ILE  80          HD13      ILE  80   0.135   6.781  -5.962
  641    H    GLY  81           HN       GLY  81   4.007   2.662  -5.838
  642   1HA   GLY  81          HA2       GLY  81   2.440   0.227  -5.879
  643   2HA   GLY  81          HA1       GLY  81   3.899   0.546  -6.803
  644    H    GLU  82           HN       GLU  82   4.491   1.406  -3.642
  645    HA   GLU  82           HA       GLU  82   6.133  -0.931  -3.274
  646   1HB   GLU  82          HB2       GLU  82   5.717   1.582  -1.729
  647   2HB   GLU  82          HB1       GLU  82   6.683   0.266  -1.071
  648   1HG   GLU  82          HG2       GLU  82   7.221   1.779  -3.620
  649   2HG   GLU  82          HG1       GLU  82   8.152   1.888  -2.124
  650    H    LEU  83           HN       LEU  83   3.719   0.657  -1.175
  651    HA   LEU  83           HA       LEU  83   3.411  -1.322   0.700
  652   1HB   LEU  83          HB2       LEU  83   1.600   0.742  -0.424
  653   2HB   LEU  83          HB1       LEU  83   0.872  -0.515   0.558
  654    HG   LEU  83           HG       LEU  83   3.204   1.100   1.557
  655   1HD1  LEU  83          HD11      LEU  83   1.605   2.565   2.677
  656   2HD1  LEU  83          HD12      LEU  83   0.272   1.744   1.866
  657   3HD1  LEU  83          HD13      LEU  83   1.441   2.671   0.925
  658   1HD2  LEU  83          HD21      LEU  83   2.118   0.483   3.745
  659   2HD2  LEU  83          HD22      LEU  83   2.813  -0.857   2.835
  660   3HD2  LEU  83          HD23      LEU  83   1.070  -0.598   2.829
  661    H    ALA  84           HN       ALA  84   2.376  -1.293  -2.590
  662    HA   ALA  84           HA       ALA  84   0.520  -3.379  -2.470
  663   1HB   ALA  84          HB1       ALA  84   2.024  -1.960  -4.551
  664   2HB   ALA  84          HB2       ALA  84   0.330  -2.442  -4.513
  665   3HB   ALA  84          HB3       ALA  84   1.566  -3.607  -4.974
  666    H    LYS  85           HN       LYS  85   4.034  -3.366  -2.800
  667    HA   LYS  85           HA       LYS  85   4.630  -5.910  -3.607
  668   1HB   LYS  85          HB2       LYS  85   5.968  -4.313  -1.423
  669   2HB   LYS  85          HB1       LYS  85   6.651  -5.763  -2.147
  670   1HG   LYS  85          HG2       LYS  85   7.301  -4.689  -4.007
  671   2HG   LYS  85          HG1       LYS  85   5.848  -3.689  -4.061
  672   1HD   LYS  85          HD2       LYS  85   7.678  -2.231  -3.678
  673   2HD   LYS  85          HD1       LYS  85   6.803  -2.366  -2.157
  674   1HE   LYS  85          HE2       LYS  85   8.581  -4.365  -1.852
  675   2HE   LYS  85          HE1       LYS  85   9.526  -3.252  -2.856
  676   1HZ   LYS  85          HZ1       LYS  85   9.817  -2.873  -0.462
  677   2HZ   LYS  85          HZ2       LYS  85   8.170  -2.516  -0.313
  678   3HZ   LYS  85          HZ3       LYS  85   9.171  -1.521  -1.247
  679    H    GLU  86           HN       GLU  86   3.193  -4.946  -0.642
  680    HA   GLU  86           HA       GLU  86   3.559  -7.492   0.640
  681   1HB   GLU  86          HB2       GLU  86   1.636  -5.404   1.590
  682   2HB   GLU  86          HB1       GLU  86   2.615  -6.521   2.525
  683   1HG   GLU  86          HG2       GLU  86   3.562  -4.137   0.987
  684   2HG   GLU  86          HG1       GLU  86   3.403  -4.269   2.726
  685    H    VAL  87           HN       VAL  87   0.834  -5.654  -0.693
  686    HA   VAL  87           HA       VAL  87  -0.980  -7.830  -0.256
  687    HB   VAL  87           HB       VAL  87  -1.842  -5.674  -2.105
  688   1HG1  VAL  87          HG11      VAL  87  -2.972  -7.218   0.189
  689   2HG1  VAL  87          HG12      VAL  87  -3.543  -7.107  -1.477
  690   3HG1  VAL  87          HG13      VAL  87  -3.752  -5.744  -0.377
  691   1HG2  VAL  87          HG21      VAL  87  -1.133  -5.130   0.774
  692   2HG2  VAL  87          HG22      VAL  87  -2.229  -4.124  -0.173
  693   3HG2  VAL  87          HG23      VAL  87  -0.543  -4.290  -0.660
  694    H    ARG  88           HN       ARG  88   1.421  -7.605  -2.413
  695    HA   ARG  88           HA       ARG  88   0.005  -8.394  -4.793
  696   1HB   ARG  88          HB2       ARG  88   2.215  -7.116  -4.696
  697   2HB   ARG  88          HB1       ARG  88   2.968  -8.657  -4.307
  698   1HG   ARG  88          HG2       ARG  88   1.338  -8.181  -6.789
  699   2HG   ARG  88          HG1       ARG  88   3.089  -7.989  -6.710
  700   1HD   ARG  88          HD2       ARG  88   3.186 -10.376  -5.887
  701   2HD   ARG  88          HD1       ARG  88   1.480 -10.502  -6.313
  702    HE   ARG  88           HE       ARG  88   3.034  -9.534  -8.492
  703   1HH1  ARG  88          HH11      ARG  88   2.164 -12.423  -6.753
  704   2HH1  ARG  88          HH12      ARG  88   2.435 -13.473  -8.103
  705   1HH2  ARG  88          HH21      ARG  88   3.394 -10.907 -10.278
  706   2HH2  ARG  88          HH22      ARG  88   3.136 -12.611 -10.108
  707    H    LYS  89           HN       LYS  89   2.216 -10.076  -2.561
  708    HA   LYS  89           HA       LYS  89   1.634 -12.640  -3.766
  709   1HB   LYS  89          HB2       LYS  89   2.984 -13.519  -1.808
  710   2HB   LYS  89          HB1       LYS  89   3.845 -12.479  -2.926
  711   1HG   LYS  89          HG2       LYS  89   2.663 -10.935  -0.802
  712   2HG   LYS  89          HG1       LYS  89   3.670 -12.239  -0.154
  713   1HD   LYS  89          HD2       LYS  89   4.868 -10.074  -0.559
  714   2HD   LYS  89          HD1       LYS  89   5.557 -11.476  -1.365
  715   1HE   LYS  89          HE2       LYS  89   4.400 -10.781  -3.454
  716   2HE   LYS  89          HE1       LYS  89   3.854  -9.336  -2.623
  717   1HZ   LYS  89          HZ1       LYS  89   6.141  -8.682  -2.296
  718   2HZ   LYS  89          HZ2       LYS  89   5.832  -8.922  -3.941
  719   3HZ   LYS  89          HZ3       LYS  89   6.685 -10.089  -3.063
  720    H    GLU  90           HN       GLU  90   0.779 -10.712  -1.017
  721    HA   GLU  90           HA       GLU  90  -0.608 -12.615   0.475
  722   1HB   GLU  90          HB2       GLU  90  -0.814  -9.619   0.255
  723   2HB   GLU  90          HB1       GLU  90  -1.806 -10.546   1.378
  724   1HG   GLU  90          HG2       GLU  90   0.230 -11.405   2.436
  725   2HG   GLU  90          HG1       GLU  90   1.202 -10.453   1.314
  726    H    LYS  91           HN       LYS  91  -1.296 -11.184  -2.557
  727    HA   LYS  91           HA       LYS  91  -4.039 -11.121  -2.597
  728   1HB   LYS  91          HB2       LYS  91  -3.933 -11.076  -4.916
  729   2HB   LYS  91          HB1       LYS  91  -2.410 -10.380  -4.403
  730   1HG   LYS  91          HG2       LYS  91  -1.307 -12.540  -4.806
  731   2HG   LYS  91          HG1       LYS  91  -2.841 -13.192  -5.382
  732   1HD   LYS  91          HD2       LYS  91  -2.886 -11.606  -7.198
  733   2HD   LYS  91          HD1       LYS  91  -1.440 -10.807  -6.582
  734   1HE   LYS  91          HE2       LYS  91  -0.160 -12.867  -6.954
  735   2HE   LYS  91          HE1       LYS  91  -1.611 -13.645  -7.587
  736   1HZ   LYS  91          HZ1       LYS  91  -0.283 -11.259  -8.758
  737   2HZ   LYS  91          HZ2       LYS  91  -1.668 -12.016  -9.368
  738   3HZ   LYS  91          HZ3       LYS  91  -0.189 -12.836  -9.364
  739    H    ALA  92           HN       ALA  92  -1.971 -13.828  -3.520
  740    HA   ALA  92           HA       ALA  92  -4.190 -15.652  -3.585
  741   1HB   ALA  92          HB1       ALA  92  -2.495 -17.350  -4.116
  742   2HB   ALA  92          HB2       ALA  92  -1.227 -16.159  -3.824
  743   3HB   ALA  92          HB3       ALA  92  -2.359 -15.932  -5.157
  744    H    LEU  93           HN       LEU  93  -1.819 -14.682  -1.234
  745    HA   LEU  93           HA       LEU  93  -2.173 -17.024   0.411
  746   1HB   LEU  93          HB2       LEU  93  -0.081 -15.566   0.375
  747   2HB   LEU  93          HB1       LEU  93  -1.012 -14.395   1.296
  748    HG   LEU  93           HG       LEU  93  -0.985 -17.160   2.361
  749   1HD1  LEU  93          HD11      LEU  93   1.191 -16.872   3.409
  750   2HD1  LEU  93          HD12      LEU  93   1.410 -15.327   2.590
  751   3HD1  LEU  93          HD13      LEU  93   1.357 -16.820   1.655
  752   1HD2  LEU  93          HD21      LEU  93  -0.862 -15.938   4.482
  753   2HD2  LEU  93          HD22      LEU  93  -2.196 -15.368   3.479
  754   3HD2  LEU  93          HD23      LEU  93  -0.716 -14.418   3.599
  755    H    GLY  94           HN       GLY  94  -3.612 -13.852   0.194
  756   1HA   GLY  94          HA2       GLY  94  -4.775 -13.438   2.627
  757   2HA   GLY  94          HA1       GLY  94  -5.596 -13.108   1.115
  758    H    ILE  95           HN       ILE  95  -5.636 -15.847   0.296
  759    HA   ILE  95           HA       ILE  95  -8.121 -16.546   1.435
  760    HB   ILE  95           HB       ILE  95  -7.503 -17.136  -0.852
  761   1HG1  ILE  95          HG12      ILE  95  -8.046 -19.704  -0.588
  762   2HG1  ILE  95          HG11      ILE  95  -8.295 -19.265   1.099
  763   1HG2  ILE  95          HG21      ILE  95  -5.778 -19.348   0.078
  764   2HG2  ILE  95          HG22      ILE  95  -5.114 -17.712   0.081
  765   3HG2  ILE  95          HG23      ILE  95  -5.731 -18.412  -1.420
  766   1HD1  ILE  95          HD11      ILE  95  -9.949 -17.598   0.410
  767   2HD1  ILE  95          HD12      ILE  95 -10.387 -19.231  -0.090
  768   3HD1  ILE  95          HD13      ILE  95  -9.730 -18.096  -1.268
  769    H    ARG  96           HN       ARG  96  -7.018 -16.349   3.685
  770    HA   ARG  96           HA       ARG  96  -5.459 -18.493   4.649
  771   1HB   ARG  96          HB2       ARG  96  -6.058 -16.149   5.686
  772   2HB   ARG  96          HB1       ARG  96  -7.399 -17.036   6.407
  773   1HG   ARG  96          HG2       ARG  96  -5.787 -17.165   8.046
  774   2HG   ARG  96          HG1       ARG  96  -5.549 -18.684   7.180
  775   1HD   ARG  96          HD2       ARG  96  -3.403 -17.681   7.578
  776   2HD   ARG  96          HD1       ARG  96  -3.762 -17.588   5.854
  777    HE   ARG  96           HE       ARG  96  -4.648 -15.213   6.917
  778   1HH1  ARG  96          HH11      ARG  96  -1.616 -16.917   6.744
  779   2HH1  ARG  96          HH12      ARG  96  -0.657 -15.476   6.764
  780   1HH2  ARG  96          HH21      ARG  96  -3.396 -13.309   6.946
  781   2HH2  ARG  96          HH22      ARG  96  -1.669 -13.422   6.880
  782    H    LYS  97           HN       LYS  97  -8.818 -18.004   4.035
  783    HA   LYS  97           HA       LYS  97  -9.613 -20.467   5.347
  784   1HB   LYS  97          HB2       LYS  97 -11.886 -19.800   4.652
  785   2HB   LYS  97          HB1       LYS  97 -11.079 -18.522   5.550
  786   1HG   LYS  97          HG2       LYS  97 -10.431 -17.762   3.044
  787   2HG   LYS  97          HG1       LYS  97 -11.959 -18.596   2.732
  788   1HD   LYS  97          HD2       LYS  97 -13.040 -16.794   3.423
  789   2HD   LYS  97          HD1       LYS  97 -12.324 -16.990   5.023
  790   1HE   LYS  97          HE2       LYS  97 -10.860 -15.648   2.770
  791   2HE   LYS  97          HE1       LYS  97 -11.931 -14.749   3.841
  792   1HZ   LYS  97          HZ1       LYS  97 -10.584 -15.393   5.714
  793   2HZ   LYS  97          HZ2       LYS  97  -9.594 -14.680   4.542
  794   3HZ   LYS  97          HZ3       LYS  97  -9.599 -16.360   4.735
  795    H    LYS  98           HN       LYS  98  -8.343 -21.862   4.004
  796    HA   LYS  98           HA       LYS  98  -9.230 -22.078   1.215
  797   1HB   LYS  98          HB2       LYS  98  -6.838 -23.322   2.588
  798   2HB   LYS  98          HB1       LYS  98  -7.236 -23.496   0.886
  799   1HG   LYS  98          HG2       LYS  98  -7.172 -20.812   1.085
  800   2HG   LYS  98          HG1       LYS  98  -5.981 -21.239   2.315
  801   1HD   LYS  98          HD2       LYS  98  -4.707 -21.064   0.381
  802   2HD   LYS  98          HD1       LYS  98  -5.014 -22.798   0.496
  803   1HE   LYS  98          HE2       LYS  98  -6.883 -22.554  -1.082
  804   2HE   LYS  98          HE1       LYS  98  -6.532 -20.831  -1.216
  805   1HZ   LYS  98          HZ1       LYS  98  -4.325 -21.416  -2.072
  806   2HZ   LYS  98          HZ2       LYS  98  -5.563 -22.018  -3.054
  807   3HZ   LYS  98          HZ3       LYS  98  -4.734 -23.058  -2.010
  808   1H    MET   1          HT1       MET   1  18.942  -4.150  -3.089
  809   2H    MET   1          HT2       MET   1  19.950  -4.937  -1.996
  810   3H    MET   1          HT3       MET   1  18.515  -4.222  -1.456
  811    HA   MET   1           HA       MET   1  18.922  -6.651  -3.032
  812   1HB   MET   1          HB2       MET   1  17.723  -5.925  -0.432
  813   2HB   MET   1          HB1       MET   1  16.949  -7.202  -1.323
  814   1HG   MET   1          HG2       MET   1  18.742  -7.766   0.430
  815   2HG   MET   1          HG1       MET   1  18.736  -8.636  -1.096
  816   1HE   MET   1          HE1       MET   1  20.820  -9.573  -1.004
  817   2HE   MET   1          HE2       MET   1  21.693  -8.892   0.369
  818   3HE   MET   1          HE3       MET   1  22.374  -8.779  -1.253
  819    H    ALA   2           HN       ALA   2  16.521  -7.707  -3.147
  820    HA   ALA   2           HA       ALA   2  14.992  -5.764  -4.717
  821   1HB   ALA   2          HB1       ALA   2  15.435  -8.695  -5.096
  822   2HB   ALA   2          HB2       ALA   2  15.662  -7.374  -6.245
  823   3HB   ALA   2          HB3       ALA   2  14.035  -7.894  -5.809
  824    H    ALA   3           HN       ALA   3  12.690  -5.928  -4.748
  825    HA   ALA   3           HA       ALA   3  11.563  -6.564  -2.133
  826   1HB   ALA   3          HB1       ALA   3  10.952  -4.477  -3.262
  827   2HB   ALA   3          HB2       ALA   3   9.544  -5.514  -3.033
  828   3HB   ALA   3          HB3       ALA   3  10.298  -5.390  -4.621
  829    H    GLU   4           HN       GLU   4  12.014  -8.875  -2.464
  830    HA   GLU   4           HA       GLU   4  10.718 -10.337  -4.519
  831   1HB   GLU   4          HB2       GLU   4  11.164 -12.291  -2.793
  832   2HB   GLU   4          HB1       GLU   4  12.451 -11.570  -3.742
  833   1HG   GLU   4          HG2       GLU   4  13.330 -10.432  -1.943
  834   2HG   GLU   4          HG1       GLU   4  11.829 -10.513  -1.027
  835    H    THR   5           HN       THR   5  10.092 -11.325  -1.186
  836    HA   THR   5           HA       THR   5   7.330 -11.577  -1.919
  837    HB   THR   5           HB       THR   5   8.501 -12.274   0.757
  838    HG1  THR   5           HG1      THR   5   9.683 -13.621  -0.376
  839   1HG2  THR   5          HG21      THR   5   5.988 -12.246   0.366
  840   2HG2  THR   5          HG22      THR   5   6.667 -13.779   0.916
  841   3HG2  THR   5          HG23      THR   5   6.253 -13.559  -0.782
  842    H    LEU   6           HN       LEU   6   7.128 -11.100   1.368
  843    HA   LEU   6           HA       LEU   6   5.713  -8.619   0.964
  844   1HB   LEU   6          HB2       LEU   6   6.044 -10.244   3.480
  845   2HB   LEU   6          HB1       LEU   6   4.859  -8.998   3.182
  846    HG   LEU   6           HG       LEU   6   4.313 -10.770   1.171
  847   1HD1  LEU   6          HD11      LEU   6   5.978 -12.319   2.315
  848   2HD1  LEU   6          HD12      LEU   6   4.377 -12.974   1.983
  849   3HD1  LEU   6          HD13      LEU   6   4.794 -12.449   3.614
  850   1HD2  LEU   6          HD21      LEU   6   3.159 -10.605   3.950
  851   2HD2  LEU   6          HD22      LEU   6   2.392 -11.424   2.590
  852   3HD2  LEU   6          HD23      LEU   6   2.655  -9.681   2.534
  853    H    THR   7           HN       THR   7   7.086  -6.878   0.900
  854    HA   THR   7           HA       THR   7   9.441  -6.748   2.487
  855    HB   THR   7           HB       THR   7   8.659  -4.095   1.899
  856    HG1  THR   7           HG1      THR   7   7.198  -4.563   0.383
  857   1HG2  THR   7          HG21      THR   7  10.723  -4.018   1.026
  858   2HG2  THR   7          HG22      THR   7  10.395  -5.320  -0.124
  859   3HG2  THR   7          HG23      THR   7  10.882  -5.696   1.538
  860    H    GLU   8           HN       GLU   8   9.801  -5.048   4.117
  861    HA   GLU   8           HA       GLU   8   8.458  -5.450   6.410
  862   1HB   GLU   8          HB2       GLU   8   9.405  -2.683   5.738
  863   2HB   GLU   8          HB1       GLU   8   9.425  -3.489   7.298
  864   1HG   GLU   8          HG2       GLU   8  11.179  -4.116   4.917
  865   2HG   GLU   8          HG1       GLU   8  11.662  -3.365   6.448
  866    H    LEU   9           HN       LEU   9   7.401  -3.399   3.813
  867    HA   LEU   9           HA       LEU   9   5.471  -1.869   5.083
  868   1HB   LEU   9          HB2       LEU   9   4.889  -2.910   2.378
  869   2HB   LEU   9          HB1       LEU   9   4.699  -1.299   3.003
  870    HG   LEU   9           HG       LEU   9   7.144  -2.618   1.892
  871   1HD1  LEU   9          HD11      LEU   9   5.726  -1.384   0.377
  872   2HD1  LEU   9          HD12      LEU   9   7.257  -0.537   0.607
  873   3HD1  LEU   9          HD13      LEU   9   5.801   0.034   1.423
  874   1HD2  LEU   9          HD21      LEU   9   7.642   0.021   2.989
  875   2HD2  LEU   9          HD22      LEU   9   8.602  -1.453   3.099
  876   3HD2  LEU   9          HD23      LEU   9   7.293  -1.166   4.241
  877    H    GLU  10           HN       GLU  10   5.384  -5.258   4.311
  878    HA   GLU  10           HA       GLU  10   2.615  -5.654   4.246
  879   1HB   GLU  10          HB2       GLU  10   3.222  -7.966   5.241
  880   2HB   GLU  10          HB1       GLU  10   3.815  -7.543   3.643
  881   1HG   GLU  10          HG2       GLU  10   5.914  -7.802   4.284
  882   2HG   GLU  10          HG1       GLU  10   5.686  -6.716   5.653
  883    H    ALA  11           HN       ALA  11   4.862  -5.281   6.913
  884    HA   ALA  11           HA       ALA  11   3.218  -5.994   9.042
  885   1HB   ALA  11          HB1       ALA  11   5.679  -5.328   9.105
  886   2HB   ALA  11          HB2       ALA  11   4.672  -4.767  10.438
  887   3HB   ALA  11          HB3       ALA  11   5.114  -3.659   9.139
  888    H    ALA  12           HN       ALA  12   3.196  -3.237   6.954
  889    HA   ALA  12           HA       ALA  12   1.416  -1.695   8.606
  890   1HB   ALA  12          HB1       ALA  12   1.480  -0.061   6.918
  891   2HB   ALA  12          HB2       ALA  12   1.927  -1.236   5.682
  892   3HB   ALA  12          HB3       ALA  12   3.094  -0.771   6.920
  893    H    ILE  13           HN       ILE  13   1.163  -4.053   6.073
  894    HA   ILE  13           HA       ILE  13  -1.371  -3.579   5.093
  895    HB   ILE  13           HB       ILE  13   0.412  -5.463   4.552
  896   1HG1  ILE  13          HG12      ILE  13  -1.482  -4.866   3.143
  897   2HG1  ILE  13          HG11      ILE  13  -1.295  -6.616   3.209
  898   1HG2  ILE  13          HG21      ILE  13   0.039  -7.594   5.360
  899   2HG2  ILE  13          HG22      ILE  13  -1.595  -7.214   5.903
  900   3HG2  ILE  13          HG23      ILE  13  -0.205  -6.605   6.801
  901   1HD1  ILE  13          HD11      ILE  13  -3.596  -6.201   3.370
  902   2HD1  ILE  13          HD12      ILE  13  -3.366  -4.908   4.546
  903   3HD1  ILE  13          HD13      ILE  13  -3.077  -6.584   5.011
  904    H    GLU  14           HN       GLU  14  -0.365  -4.699   8.189
  905    HA   GLU  14           HA       GLU  14  -2.706  -5.926   9.117
  906   1HB   GLU  14          HB2       GLU  14  -1.692  -5.882  11.229
  907   2HB   GLU  14          HB1       GLU  14  -0.330  -5.876  10.118
  908   1HG   GLU  14          HG2       GLU  14  -0.129  -3.451  10.388
  909   2HG   GLU  14          HG1       GLU  14  -1.457  -3.482  11.545
  910    H    THR  15           HN       THR  15  -1.591  -2.551   9.310
  911    HA   THR  15           HA       THR  15  -3.722  -1.628  10.861
  912    HB   THR  15           HB       THR  15  -2.001  -0.113   8.910
  913    HG1  THR  15           HG1      THR  15  -0.853   0.454  10.857
  914   1HG2  THR  15          HG21      THR  15  -3.689   0.922  11.192
  915   2HG2  THR  15          HG22      THR  15  -4.072   1.090   9.479
  916   3HG2  THR  15          HG23      THR  15  -2.649   1.889  10.146
  917    H    VAL  16           HN       VAL  16  -3.043  -1.239   7.438
  918    HA   VAL  16           HA       VAL  16  -5.386  -0.036   6.604
  919    HB   VAL  16           HB       VAL  16  -3.405  -0.288   5.187
  920   1HG1  VAL  16          HG11      VAL  16  -2.846  -2.379   4.136
  921   2HG1  VAL  16          HG12      VAL  16  -4.224  -3.177   4.889
  922   3HG1  VAL  16          HG13      VAL  16  -2.879  -2.614   5.882
  923   1HG2  VAL  16          HG21      VAL  16  -4.541  -0.701   3.105
  924   2HG2  VAL  16          HG22      VAL  16  -5.645   0.118   4.207
  925   3HG2  VAL  16          HG23      VAL  16  -5.807  -1.613   3.929
  926    H    VAL  17           HN       VAL  17  -4.692  -3.515   6.822
  927    HA   VAL  17           HA       VAL  17  -7.135  -4.345   5.736
  928    HB   VAL  17           HB       VAL  17  -5.150  -5.823   6.027
  929   1HG1  VAL  17          HG11      VAL  17  -4.442  -5.379   8.239
  930   2HG1  VAL  17          HG12      VAL  17  -5.028  -7.040   8.237
  931   3HG1  VAL  17          HG13      VAL  17  -6.031  -5.750   8.901
  932   1HG2  VAL  17          HG21      VAL  17  -7.736  -6.864   7.177
  933   2HG2  VAL  17          HG22      VAL  17  -6.446  -7.839   6.473
  934   3HG2  VAL  17          HG23      VAL  17  -7.354  -6.714   5.462
  935    H    SER  18           HN       SER  18  -6.152  -3.489   8.977
  936    HA   SER  18           HA       SER  18  -8.622  -4.348  10.172
  937   1HB   SER  18          HB2       SER  18  -6.553  -4.471  11.459
  938   2HB   SER  18          HB1       SER  18  -6.335  -2.727  11.311
  939    HG   SER  18           HG       SER  18  -7.369  -2.778  13.162
  940    H    THR  19           HN       THR  19  -7.552  -1.504   8.595
  941    HA   THR  19           HA       THR  19  -9.395   0.218   9.999
  942    HB   THR  19           HB       THR  19  -8.735   1.972   8.372
  943    HG1  THR  19           HG1      THR  19  -7.413  -0.210   7.214
  944   1HG2  THR  19          HG21      THR  19  -6.563   0.505   9.854
  945   2HG2  THR  19          HG22      THR  19  -7.517   1.877  10.412
  946   3HG2  THR  19          HG23      THR  19  -6.336   2.091   9.121
  947    H    PHE  20           HN       PHE  20  -9.137   0.233   6.493
  948    HA   PHE  20           HA       PHE  20 -11.999   0.506   6.291
  949   1HB   PHE  20          HB2       PHE  20 -10.893   1.983   4.908
  950   2HB   PHE  20          HB1       PHE  20  -9.643   0.815   4.527
  951    HD1  PHE  20           HD1      PHE  20 -13.289   1.375   3.942
  952    HD2  PHE  20           HD2      PHE  20  -9.589  -0.061   2.468
  953    HE1  PHE  20           HE1      PHE  20 -14.320   0.975   1.744
  954    HE2  PHE  20           HE2      PHE  20 -10.596  -0.483   0.277
  955    HZ   PHE  20           HZ       PHE  20 -12.961   0.032  -0.090
  956    H    PHE  21           HN       PHE  21  -9.619  -1.938   5.595
  957    HA   PHE  21           HA       PHE  21 -11.422  -3.443   4.098
  958   1HB   PHE  21          HB2       PHE  21  -8.926  -4.407   5.495
  959   2HB   PHE  21          HB1       PHE  21  -9.792  -5.286   4.247
  960    HD1  PHE  21           HD1      PHE  21  -6.980  -4.906   3.941
  961    HD2  PHE  21           HD2      PHE  21 -10.137  -2.220   2.945
  962    HE1  PHE  21           HE1      PHE  21  -5.538  -3.839   2.289
  963    HE2  PHE  21           HE2      PHE  21  -8.682  -1.180   1.254
  964    HZ   PHE  21           HZ       PHE  21  -6.385  -1.974   0.928
  965    H    THR  22           HN       THR  22 -11.441  -2.766   7.345
  966    HA   THR  22           HA       THR  22 -12.473  -5.317   8.162
  967    HB   THR  22           HB       THR  22 -13.147  -4.131  10.250
  968    HG1  THR  22           HG1      THR  22 -13.022  -2.021   8.834
  969   1HG2  THR  22          HG21      THR  22 -10.825  -3.796  10.999
  970   2HG2  THR  22          HG22      THR  22 -10.299  -3.855   9.311
  971   3HG2  THR  22          HG23      THR  22 -11.020  -5.275  10.062
  972    H    PHE  23           HN       PHE  23 -13.672  -3.029   6.166
  973    HA   PHE  23           HA       PHE  23 -16.373  -2.995   7.126
  974   1HB   PHE  23          HB2       PHE  23 -16.399  -1.093   5.984
  975   2HB   PHE  23          HB1       PHE  23 -14.755  -1.403   5.470
  976    HD1  PHE  23           HD1      PHE  23 -14.483  -0.737   3.386
  977    HD2  PHE  23           HD2      PHE  23 -18.067  -2.805   4.339
  978    HE1  PHE  23           HE1      PHE  23 -15.191  -0.582   1.053
  979    HE2  PHE  23           HE2      PHE  23 -18.770  -2.685   2.002
  980    HZ   PHE  23           HZ       PHE  23 -17.346  -1.543   0.362
  981    H    ALA  24           HN       ALA  24 -14.420  -4.951   5.088
  982    HA   ALA  24           HA       ALA  24 -16.252  -6.129   3.374
  983   1HB   ALA  24          HB1       ALA  24 -13.786  -7.087   4.723
  984   2HB   ALA  24          HB2       ALA  24 -14.173  -7.015   3.005
  985   3HB   ALA  24          HB3       ALA  24 -14.837  -8.304   4.003
  986    H    GLY  25           HN       GLY  25 -15.702  -6.768   6.783
  987   1HA   GLY  25          HA2       GLY  25 -17.218  -8.891   7.394
  988   2HA   GLY  25          HA1       GLY  25 -17.293  -7.425   8.361
  989    H    ARG  26           HN       ARG  26 -18.470  -5.861   6.162
  990    HA   ARG  26           HA       ARG  26 -21.178  -6.113   6.671
  991   1HB   ARG  26          HB2       ARG  26 -20.145  -4.116   5.631
  992   2HB   ARG  26          HB1       ARG  26 -19.867  -5.053   4.153
  993   1HG   ARG  26          HG2       ARG  26 -21.987  -4.831   3.472
  994   2HG   ARG  26          HG1       ARG  26 -22.649  -5.041   5.093
  995   1HD   ARG  26          HD2       ARG  26 -22.034  -2.730   5.631
  996   2HD   ARG  26          HD1       ARG  26 -21.395  -2.524   4.000
  997    HE   ARG  26           HE       ARG  26 -23.910  -3.269   3.497
  998   1HH1  ARG  26          HH11      ARG  26 -22.633  -0.895   5.711
  999   2HH1  ARG  26          HH12      ARG  26 -24.029   0.124   5.621
 1000   1HH2  ARG  26          HH21      ARG  26 -25.748  -1.929   3.377
 1001   2HH2  ARG  26          HH22      ARG  26 -25.798  -0.462   4.297
 1002    H    GLU  27           HN       GLU  27 -19.386  -7.205   3.865
 1003    HA   GLU  27           HA       GLU  27 -21.653  -8.727   2.940
 1004   1HB   GLU  27          HB2       GLU  27 -18.958  -8.017   1.918
 1005   2HB   GLU  27          HB1       GLU  27 -19.701  -9.464   1.260
 1006   1HG   GLU  27          HG2       GLU  27 -21.145  -6.849   1.381
 1007   2HG   GLU  27          HG1       GLU  27 -20.093  -7.284   0.029
 1008    H    GLY  28           HN       GLY  28 -20.594 -10.942   1.899
 1009   1HA   GLY  28          HA2       GLY  28 -20.918 -13.008   3.441
 1010   2HA   GLY  28          HA1       GLY  28 -19.590 -13.023   2.299
 1011    H    ARG  29           HN       ARG  29 -19.929 -14.382   4.833
 1012    HA   ARG  29           HA       ARG  29 -18.724 -13.387   7.016
 1013   1HB   ARG  29          HB2       ARG  29 -18.049 -15.626   7.636
 1014   2HB   ARG  29          HB1       ARG  29 -19.636 -15.652   6.891
 1015   1HG   ARG  29          HG2       ARG  29 -17.045 -16.450   5.551
 1016   2HG   ARG  29          HG1       ARG  29 -18.275 -17.540   6.189
 1017   1HD   ARG  29          HD2       ARG  29 -19.915 -16.517   4.614
 1018   2HD   ARG  29          HD1       ARG  29 -18.587 -15.609   3.896
 1019    HE   ARG  29           HE       ARG  29 -17.894 -18.317   3.899
 1020   1HH1  ARG  29          HH11      ARG  29 -20.200 -16.175   2.410
 1021   2HH1  ARG  29          HH12      ARG  29 -20.342 -17.120   0.966
 1022   1HH2  ARG  29          HH21      ARG  29 -18.071 -19.570   2.001
 1023   2HH2  ARG  29          HH22      ARG  29 -19.131 -19.051   0.732
 1024    H    LYS  30           HN       LYS  30 -16.856 -14.961   4.387
 1025    HA   LYS  30           HA       LYS  30 -14.624 -13.239   5.146
 1026   1HB   LYS  30          HB2       LYS  30 -14.291 -16.232   4.836
 1027   2HB   LYS  30          HB1       LYS  30 -13.063 -15.076   5.324
 1028   1HG   LYS  30          HG2       LYS  30 -14.280 -14.639   7.389
 1029   2HG   LYS  30          HG1       LYS  30 -15.531 -15.782   6.895
 1030   1HD   LYS  30          HD2       LYS  30 -13.863 -17.582   6.865
 1031   2HD   LYS  30          HD1       LYS  30 -12.624 -16.434   7.380
 1032   1HE   LYS  30          HE2       LYS  30 -13.868 -16.027   9.448
 1033   2HE   LYS  30          HE1       LYS  30 -15.105 -17.172   8.931
 1034   1HZ   LYS  30          HZ1       LYS  30 -13.410 -18.915   8.932
 1035   2HZ   LYS  30          HZ2       LYS  30 -13.577 -18.211  10.461
 1036   3HZ   LYS  30          HZ3       LYS  30 -12.257 -17.807   9.485
 1037    H    GLY  31           HN       GLY  31 -16.010 -12.777   2.873
 1038   1HA   GLY  31          HA2       GLY  31 -14.391 -14.008   0.715
 1039   2HA   GLY  31          HA1       GLY  31 -15.937 -13.192   0.481
 1040    H    SER  32           HN       SER  32 -15.964 -11.000   0.262
 1041    HA   SER  32           HA       SER  32 -13.447  -9.611   0.704
 1042   1HB   SER  32          HB2       SER  32 -14.027  -8.427  -1.610
 1043   2HB   SER  32          HB1       SER  32 -13.026  -9.879  -1.538
 1044    HG   SER  32           HG       SER  32 -15.285  -9.552  -2.842
 1045    H    LEU  33           HN       LEU  33 -13.766  -7.229   0.323
 1046    HA   LEU  33           HA       LEU  33 -16.292  -6.538   1.555
 1047   1HB   LEU  33          HB2       LEU  33 -15.155  -4.883   2.551
 1048   2HB   LEU  33          HB1       LEU  33 -13.725  -5.540   1.828
 1049    HG   LEU  33           HG       LEU  33 -15.400  -3.254   0.816
 1050   1HD1  LEU  33          HD11      LEU  33 -13.591  -1.868   1.367
 1051   2HD1  LEU  33          HD12      LEU  33 -12.508  -3.228   1.601
 1052   3HD1  LEU  33          HD13      LEU  33 -13.803  -2.929   2.754
 1053   1HD2  LEU  33          HD21      LEU  33 -14.597  -3.530  -1.229
 1054   2HD2  LEU  33          HD22      LEU  33 -13.768  -4.997  -0.703
 1055   3HD2  LEU  33          HD23      LEU  33 -12.957  -3.437  -0.588
 1056    H    ASN  34           HN       ASN  34 -17.637  -4.801   0.671
 1057    HA   ASN  34           HA       ASN  34 -17.447  -4.946  -2.245
 1058   1HB   ASN  34          HB2       ASN  34 -19.898  -4.663  -2.242
 1059   2HB   ASN  34          HB1       ASN  34 -19.414  -6.061  -1.294
 1060   1HD2  ASN  34          HD21      ASN  34 -19.256  -5.764   1.049
 1061   2HD2  ASN  34          HD22      ASN  34 -20.353  -4.674   1.818
 1062    H    ILE  35           HN       ILE  35 -19.675  -2.797  -1.812
 1063    HA   ILE  35           HA       ILE  35 -17.884  -0.594  -1.266
 1064    HB   ILE  35           HB       ILE  35 -19.033   0.638  -3.193
 1065   1HG1  ILE  35          HG12      ILE  35 -19.864  -0.737  -4.992
 1066   2HG1  ILE  35          HG11      ILE  35 -19.414  -2.211  -4.146
 1067   1HG2  ILE  35          HG21      ILE  35 -17.198   0.081  -4.542
 1068   2HG2  ILE  35          HG22      ILE  35 -17.218  -1.600  -4.030
 1069   3HG2  ILE  35          HG23      ILE  35 -16.653  -0.350  -2.926
 1070   1HD1  ILE  35          HD11      ILE  35 -21.123  -1.743  -2.458
 1071   2HD1  ILE  35          HD12      ILE  35 -21.802  -1.869  -4.077
 1072   3HD1  ILE  35          HD13      ILE  35 -21.578  -0.287  -3.336
 1073    H    ASN  36           HN       ASN  36 -20.035  -1.858   0.259
 1074    HA   ASN  36           HA       ASN  36 -22.189   0.069   0.311
 1075   1HB   ASN  36          HB2       ASN  36 -21.550  -2.349   2.005
 1076   2HB   ASN  36          HB1       ASN  36 -22.878  -1.257   2.389
 1077   1HD2  ASN  36          HD21      ASN  36 -22.920  -4.078   1.654
 1078   2HD2  ASN  36          HD22      ASN  36 -23.929  -4.192   0.257
 1079    H    GLU  37           HN       GLU  37 -19.903  -1.049   2.865
 1080    HA   GLU  37           HA       GLU  37 -20.254   1.469   4.178
 1081   1HB   GLU  37          HB2       GLU  37 -17.884  -0.258   4.712
 1082   2HB   GLU  37          HB1       GLU  37 -18.780   0.755   5.817
 1083   1HG   GLU  37          HG2       GLU  37 -20.706  -0.773   5.566
 1084   2HG   GLU  37          HG1       GLU  37 -19.667  -1.865   4.644
 1085    H    PHE  38           HN       PHE  38 -18.299   0.393   1.560
 1086    HA   PHE  38           HA       PHE  38 -16.120   2.075   1.676
 1087   1HB   PHE  38          HB2       PHE  38 -16.610   0.320  -0.058
 1088   2HB   PHE  38          HB1       PHE  38 -17.754   1.433  -0.797
 1089    HD1  PHE  38           HD1      PHE  38 -16.623   3.872  -1.204
 1090    HD2  PHE  38           HD2      PHE  38 -14.607   0.143  -1.043
 1091    HE1  PHE  38           HE1      PHE  38 -14.777   4.824  -2.529
 1092    HE2  PHE  38           HE2      PHE  38 -12.746   1.074  -2.355
 1093    HZ   PHE  38           HZ       PHE  38 -12.833   3.422  -3.108
 1094    H    LYS  39           HN       LYS  39 -19.478   2.617   1.058
 1095    HA   LYS  39           HA       LYS  39 -19.392   5.160  -0.080
 1096   1HB   LYS  39          HB2       LYS  39 -21.542   4.027   1.681
 1097   2HB   LYS  39          HB1       LYS  39 -21.729   5.290   0.462
 1098   1HG   LYS  39          HG2       LYS  39 -20.899   3.600  -1.214
 1099   2HG   LYS  39          HG1       LYS  39 -21.094   2.393   0.046
 1100   1HD   LYS  39          HD2       LYS  39 -23.290   4.242  -0.900
 1101   2HD   LYS  39          HD1       LYS  39 -23.027   2.632  -1.563
 1102   1HE   LYS  39          HE2       LYS  39 -23.385   1.670   0.662
 1103   2HE   LYS  39          HE1       LYS  39 -23.657   3.287   1.311
 1104   1HZ   LYS  39          HZ1       LYS  39 -25.739   2.143   0.838
 1105   2HZ   LYS  39          HZ2       LYS  39 -25.303   1.981  -0.788
 1106   3HZ   LYS  39          HZ3       LYS  39 -25.571   3.517  -0.135
 1107    H    GLU  40           HN       GLU  40 -18.653   4.138   3.022
 1108    HA   GLU  40           HA       GLU  40 -19.077   6.673   4.294
 1109   1HB   GLU  40          HB2       GLU  40 -18.464   5.606   6.248
 1110   2HB   GLU  40          HB1       GLU  40 -18.968   4.203   5.308
 1111   1HG   GLU  40          HG2       GLU  40 -16.643   3.743   4.734
 1112   2HG   GLU  40          HG1       GLU  40 -16.138   5.178   5.606
 1113    H    LEU  41           HN       LEU  41 -16.900   5.587   1.998
 1114    HA   LEU  41           HA       LEU  41 -14.496   6.601   3.128
 1115   1HB   LEU  41          HB2       LEU  41 -15.156   5.702   0.350
 1116   2HB   LEU  41          HB1       LEU  41 -13.551   6.134   0.878
 1117    HG   LEU  41           HG       LEU  41 -15.151   3.684   1.445
 1118   1HD1  LEU  41          HD11      LEU  41 -12.544   2.985   1.329
 1119   2HD1  LEU  41          HD12      LEU  41 -12.554   4.420   0.304
 1120   3HD1  LEU  41          HD13      LEU  41 -13.621   3.066  -0.064
 1121   1HD2  LEU  41          HD21      LEU  41 -13.838   3.115   3.365
 1122   2HD2  LEU  41          HD22      LEU  41 -14.610   4.669   3.669
 1123   3HD2  LEU  41          HD23      LEU  41 -12.903   4.602   3.232
 1124    H    ALA  42           HN       ALA  42 -15.520   7.437  -0.129
 1125    HA   ALA  42           HA       ALA  42 -14.393   9.914  -0.293
 1126   1HB   ALA  42          HB1       ALA  42 -16.206  10.554  -1.872
 1127   2HB   ALA  42          HB2       ALA  42 -16.985   9.030  -1.477
 1128   3HB   ALA  42          HB3       ALA  42 -15.394   9.033  -2.221
 1129    H    THR  43           HN       THR  43 -17.386   9.091   1.267
 1130    HA   THR  43           HA       THR  43 -18.510  11.553   1.694
 1131    HB   THR  43           HB       THR  43 -19.225  10.412   3.990
 1132    HG1  THR  43           HG1      THR  43 -18.493   8.153   2.396
 1133   1HG2  THR  43          HG21      THR  43 -20.985   9.196   2.693
 1134   2HG2  THR  43          HG22      THR  43 -20.093   9.597   1.226
 1135   3HG2  THR  43          HG23      THR  43 -20.770  10.882   2.221
 1136    H    GLN  44           HN       GLN  44 -16.504   9.833   4.078
 1137    HA   GLN  44           HA       GLN  44 -15.928  12.274   5.548
 1138   1HB   GLN  44          HB2       GLN  44 -16.180  10.201   6.788
 1139   2HB   GLN  44          HB1       GLN  44 -14.974   9.399   5.773
 1140   1HG   GLN  44          HG2       GLN  44 -14.071   9.973   7.964
 1141   2HG   GLN  44          HG1       GLN  44 -13.245  10.855   6.680
 1142   1HE2  GLN  44          HE21      GLN  44 -13.558  13.078   6.486
 1143   2HE2  GLN  44          HE22      GLN  44 -14.233  14.025   7.763
 1144    H    GLN  45           HN       GLN  45 -14.338  10.089   3.347
 1145    HA   GLN  45           HA       GLN  45 -11.744  11.008   3.414
 1146   1HB   GLN  45          HB2       GLN  45 -13.499   9.888   1.286
 1147   2HB   GLN  45          HB1       GLN  45 -11.889  10.440   0.869
 1148   1HG   GLN  45          HG2       GLN  45 -11.512   8.852   3.094
 1149   2HG   GLN  45          HG1       GLN  45 -12.761   8.011   2.160
 1150   1HE2  GLN  45          HE21      GLN  45 -12.275   7.313   0.066
 1151   2HE2  GLN  45          HE22      GLN  45 -10.650   7.173  -0.496
 1152    H    LEU  46           HN       LEU  46 -14.662  12.387   2.057
 1153    HA   LEU  46           HA       LEU  46 -13.801  14.258   0.283
 1154   1HB   LEU  46          HB2       LEU  46 -16.031  14.237   2.220
 1155   2HB   LEU  46          HB1       LEU  46 -15.567  15.808   1.617
 1156    HG   LEU  46           HG       LEU  46 -16.553  13.469  -0.019
 1157   1HD1  LEU  46          HD11      LEU  46 -18.262  14.733   1.207
 1158   2HD1  LEU  46          HD12      LEU  46 -18.407  14.917  -0.541
 1159   3HD1  LEU  46          HD13      LEU  46 -17.703  16.212   0.426
 1160   1HD2  LEU  46          HD21      LEU  46 -15.446  16.132  -0.885
 1161   2HD2  LEU  46          HD22      LEU  46 -16.415  15.085  -1.922
 1162   3HD2  LEU  46          HD23      LEU  46 -14.855  14.528  -1.320
 1163    HA   PRO  47           HA       PRO  47 -12.225  17.389   3.267
 1164   1HB   PRO  47          HB2       PRO  47 -12.818  17.398   5.898
 1165   2HB   PRO  47          HB1       PRO  47 -13.888  18.138   4.703
 1166   1HG   PRO  47          HG2       PRO  47 -14.090  15.490   6.075
 1167   2HG   PRO  47          HG1       PRO  47 -15.373  16.647   5.678
 1168   1HD   PRO  47          HD2       PRO  47 -14.842  14.401   4.206
 1169   2HD   PRO  47          HD1       PRO  47 -15.574  15.872   3.542
 1170    H    HIS  48           HN       HIS  48 -10.523  16.133   2.783
 1171    HA   HIS  48           HA       HIS  48  -9.219  14.679   4.929
 1172   1HB   HIS  48          HB2       HIS  48  -9.340  14.585   2.076
 1173   2HB   HIS  48          HB1       HIS  48  -7.650  14.767   2.585
 1174    HD1  HIS  48           HD1      HIS  48 -10.239  12.259   2.179
 1175    HD2  HIS  48           HD2      HIS  48  -6.883  12.723   4.580
 1176    HE1  HIS  48           HE1      HIS  48  -9.775   9.980   3.131
 1177    HE2  HIS  48           HE2      HIS  48  -7.802  10.311   4.663
 1178    H    LEU  49           HN       LEU  49  -6.579  15.247   4.122
 1179    HA   LEU  49           HA       LEU  49  -6.281  17.948   5.097
 1180   1HB   LEU  49          HB2       LEU  49  -4.287  15.846   4.221
 1181   2HB   LEU  49          HB1       LEU  49  -3.805  17.467   4.681
 1182    HG   LEU  49           HG       LEU  49  -5.173  15.453   6.466
 1183   1HD1  LEU  49          HD11      LEU  49  -2.357  16.533   6.469
 1184   2HD1  LEU  49          HD12      LEU  49  -2.848  14.899   6.018
 1185   3HD1  LEU  49          HD13      LEU  49  -3.049  15.453   7.681
 1186   1HD2  LEU  49          HD21      LEU  49  -4.764  17.100   8.248
 1187   2HD2  LEU  49          HD22      LEU  49  -5.879  17.703   7.021
 1188   3HD2  LEU  49          HD23      LEU  49  -4.203  18.250   7.036
 1189    H    LEU  50           HN       LEU  50  -4.440  16.557   2.430
 1190    HA   LEU  50           HA       LEU  50  -5.073  18.838   0.739
 1191   1HB   LEU  50          HB2       LEU  50  -2.749  17.998   0.873
 1192   2HB   LEU  50          HB1       LEU  50  -3.279  16.454   0.234
 1193    HG   LEU  50           HG       LEU  50  -3.892  17.530  -1.884
 1194   1HD1  LEU  50          HD11      LEU  50  -3.264  19.855  -2.307
 1195   2HD1  LEU  50          HD12      LEU  50  -2.787  20.033  -0.618
 1196   3HD1  LEU  50          HD13      LEU  50  -4.475  19.734  -1.032
 1197   1HD2  LEU  50          HD21      LEU  50  -1.624  18.058  -2.647
 1198   2HD2  LEU  50          HD22      LEU  50  -1.654  16.613  -1.637
 1199   3HD2  LEU  50          HD23      LEU  50  -1.085  18.144  -0.970
 1200    H    LYS  51           HN       LYS  51  -7.391  17.694   1.093
 1201    HA   LYS  51           HA       LYS  51  -8.244  15.434  -0.006
 1202   1HB   LYS  51          HB2       LYS  51  -9.792  16.853   1.087
 1203   2HB   LYS  51          HB1       LYS  51  -9.581  18.122  -0.112
 1204   1HG   LYS  51          HG2       LYS  51 -10.556  16.566  -1.801
 1205   2HG   LYS  51          HG1       LYS  51 -10.959  15.442  -0.499
 1206   1HD   LYS  51          HD2       LYS  51 -12.305  17.867  -1.432
 1207   2HD   LYS  51          HD1       LYS  51 -12.925  16.552  -0.443
 1208   1HE   LYS  51          HE2       LYS  51 -11.832  17.622   1.526
 1209   2HE   LYS  51          HE1       LYS  51 -11.396  18.979   0.496
 1210   1HZ   LYS  51          HZ1       LYS  51 -13.411  19.445   1.720
 1211   2HZ   LYS  51          HZ2       LYS  51 -14.156  18.059   1.097
 1212   3HZ   LYS  51          HZ3       LYS  51 -13.758  19.340   0.066
 1213    H    ASP  52           HN       ASP  52  -9.274  14.806  -1.941
 1214    HA   ASP  52           HA       ASP  52  -7.967  15.893  -4.343
 1215   1HB   ASP  52          HB2       ASP  52  -9.111  13.170  -3.706
 1216   2HB   ASP  52          HB1       ASP  52  -8.724  13.662  -5.353
 1217    H    VAL  53           HN       VAL  53 -10.992  15.067  -2.879
 1218    HA   VAL  53           HA       VAL  53 -12.972  16.232  -3.087
 1219    HB   VAL  53           HB       VAL  53 -12.150  16.732  -5.905
 1220   1HG1  VAL  53          HG11      VAL  53 -14.545  17.704  -4.371
 1221   2HG1  VAL  53          HG12      VAL  53 -14.554  16.618  -5.760
 1222   3HG1  VAL  53          HG13      VAL  53 -14.067  18.300  -5.960
 1223   1HG2  VAL  53          HG21      VAL  53 -12.144  18.508  -3.486
 1224   2HG2  VAL  53          HG22      VAL  53 -12.004  19.117  -5.134
 1225   3HG2  VAL  53          HG23      VAL  53 -10.766  18.045  -4.484
 1226    H    GLY  54           HN       GLY  54 -13.383  13.921  -2.717
 1227   1HA   GLY  54          HA2       GLY  54 -13.996  12.060  -4.696
 1228   2HA   GLY  54          HA1       GLY  54 -14.786  12.130  -3.128
 1229    H    SER  55           HN       SER  55 -15.036  12.864  -6.504
 1230    HA   SER  55           HA       SER  55 -17.354  14.506  -6.357
 1231   1HB   SER  55          HB2       SER  55 -17.394  14.360  -8.735
 1232   2HB   SER  55          HB1       SER  55 -15.692  14.366  -8.261
 1233    HG   SER  55           HG       SER  55 -15.657  12.651  -9.492
 1234    H    LEU  56           HN       LEU  56 -19.490  13.999  -6.534
 1235    HA   LEU  56           HA       LEU  56 -20.516  11.703  -5.484
 1236   1HB   LEU  56          HB2       LEU  56 -21.852  13.701  -5.829
 1237   2HB   LEU  56          HB1       LEU  56 -21.775  13.486  -7.567
 1238    HG   LEU  56           HG       LEU  56 -23.066  11.387  -7.343
 1239   1HD1  LEU  56          HD11      LEU  56 -24.215  10.961  -5.188
 1240   2HD1  LEU  56          HD12      LEU  56 -23.195  12.192  -4.443
 1241   3HD1  LEU  56          HD13      LEU  56 -22.468  10.732  -5.113
 1242   1HD2  LEU  56          HD21      LEU  56 -24.385  13.797  -6.097
 1243   2HD2  LEU  56          HD22      LEU  56 -25.208  12.439  -6.865
 1244   3HD2  LEU  56          HD23      LEU  56 -24.190  13.511  -7.826
 1245    H    ASP  57           HN       ASP  57 -20.489  12.381  -8.995
 1246    HA   ASP  57           HA       ASP  57 -21.358   9.942  -9.882
 1247   1HB   ASP  57          HB2       ASP  57 -19.733  10.401 -11.860
 1248   2HB   ASP  57          HB1       ASP  57 -21.145  11.429 -11.622
 1249    H    GLU  58           HN       GLU  58 -18.078  10.916  -9.367
 1250    HA   GLU  58           HA       GLU  58 -16.773   8.551 -10.037
 1251   1HB   GLU  58          HB2       GLU  58 -15.580  10.664  -9.606
 1252   2HB   GLU  58          HB1       GLU  58 -16.016  10.563  -7.902
 1253   1HG   GLU  58          HG2       GLU  58 -13.738   9.860  -8.195
 1254   2HG   GLU  58          HG1       GLU  58 -14.725   8.477  -7.725
 1255    H    LYS  59           HN       LYS  59 -18.196   9.672  -7.042
 1256    HA   LYS  59           HA       LYS  59 -17.511   7.423  -5.498
 1257   1HB   LYS  59          HB2       LYS  59 -19.720   9.450  -5.142
 1258   2HB   LYS  59          HB1       LYS  59 -19.224   8.289  -3.916
 1259   1HG   LYS  59          HG2       LYS  59 -17.256   9.375  -3.494
 1260   2HG   LYS  59          HG1       LYS  59 -17.175  10.103  -5.090
 1261   1HD   LYS  59          HD2       LYS  59 -17.623  11.711  -3.265
 1262   2HD   LYS  59          HD1       LYS  59 -18.884  11.682  -4.499
 1263   1HE   LYS  59          HE2       LYS  59 -20.131  10.071  -2.997
 1264   2HE   LYS  59          HE1       LYS  59 -18.948  10.462  -1.750
 1265   1HZ   LYS  59          HZ1       LYS  59 -20.914  11.809  -1.501
 1266   2HZ   LYS  59          HZ2       LYS  59 -20.772  12.386  -3.084
 1267   3HZ   LYS  59          HZ3       LYS  59 -19.605  12.792  -1.930
 1268    H    MET  60           HN       MET  60 -19.971   8.034  -7.815
 1269    HA   MET  60           HA       MET  60 -21.720   5.915  -6.959
 1270   1HB   MET  60          HB2       MET  60 -21.657   7.687  -9.396
 1271   2HB   MET  60          HB1       MET  60 -22.843   6.402  -9.190
 1272   1HG   MET  60          HG2       MET  60 -23.614   7.463  -7.118
 1273   2HG   MET  60          HG1       MET  60 -22.450   8.763  -7.366
 1274   1HE   MET  60          HE1       MET  60 -26.005  10.357  -8.084
 1275   2HE   MET  60          HE2       MET  60 -24.638  10.299  -6.972
 1276   3HE   MET  60          HE3       MET  60 -25.782   8.960  -7.030
 1277    H    LYS  61           HN       LYS  61 -19.270   6.336  -9.463
 1278    HA   LYS  61           HA       LYS  61 -19.783   3.727 -10.598
 1279   1HB   LYS  61          HB2       LYS  61 -17.204   4.913 -11.277
 1280   2HB   LYS  61          HB1       LYS  61 -18.504   4.348 -12.320
 1281   1HG   LYS  61          HG2       LYS  61 -19.697   6.495 -11.863
 1282   2HG   LYS  61          HG1       LYS  61 -18.270   7.031 -10.966
 1283   1HD   LYS  61          HD2       LYS  61 -16.912   6.835 -12.972
 1284   2HD   LYS  61          HD1       LYS  61 -18.297   6.218 -13.875
 1285   1HE   LYS  61          HE2       LYS  61 -18.055   8.955 -12.630
 1286   2HE   LYS  61          HE1       LYS  61 -17.929   8.580 -14.348
 1287   1HZ   LYS  61          HZ1       LYS  61 -20.336   8.217 -12.648
 1288   2HZ   LYS  61          HZ2       LYS  61 -20.227   7.774 -14.276
 1289   3HZ   LYS  61          HZ3       LYS  61 -20.119   9.404 -13.834
 1290    H    THR  62           HN       THR  62 -17.266   5.238  -8.662
 1291    HA   THR  62           HA       THR  62 -15.438   3.214  -8.539
 1292    HB   THR  62           HB       THR  62 -16.212   4.983  -6.218
 1293    HG1  THR  62           HG1      THR  62 -15.620   6.066  -8.227
 1294   1HG2  THR  62          HG21      THR  62 -14.804   3.182  -5.464
 1295   2HG2  THR  62          HG22      THR  62 -13.807   4.634  -5.584
 1296   3HG2  THR  62          HG23      THR  62 -13.723   3.404  -6.836
 1297    H    LEU  63           HN       LEU  63 -18.592   3.313  -7.104
 1298    HA   LEU  63           HA       LEU  63 -18.335   1.390  -5.118
 1299   1HB   LEU  63          HB2       LEU  63 -20.622   2.095  -6.928
 1300   2HB   LEU  63          HB1       LEU  63 -20.754   0.826  -5.727
 1301    HG   LEU  63           HG       LEU  63 -19.727   3.189  -4.486
 1302   1HD1  LEU  63          HD11      LEU  63 -22.368   3.568  -5.875
 1303   2HD1  LEU  63          HD12      LEU  63 -20.854   4.318  -6.368
 1304   3HD1  LEU  63          HD13      LEU  63 -21.556   4.708  -4.801
 1305   1HD2  LEU  63          HD21      LEU  63 -21.796   2.908  -3.126
 1306   2HD2  LEU  63          HD22      LEU  63 -20.797   1.464  -3.253
 1307   3HD2  LEU  63          HD23      LEU  63 -22.266   1.602  -4.214
 1308    H    ASP  64           HN       ASP  64 -19.379   0.950  -8.475
 1309    HA   ASP  64           HA       ASP  64 -19.233  -1.894  -8.369
 1310   1HB   ASP  64          HB2       ASP  64 -19.482   0.076 -10.636
 1311   2HB   ASP  64          HB1       ASP  64 -19.413  -1.662 -10.895
 1312    H    VAL  65           HN       VAL  65 -17.084   0.650  -9.516
 1313    HA   VAL  65           HA       VAL  65 -15.214  -0.932 -10.858
 1314    HB   VAL  65           HB       VAL  65 -14.694   1.622  -9.334
 1315   1HG1  VAL  65          HG11      VAL  65 -12.638   0.442  -9.867
 1316   2HG1  VAL  65          HG12      VAL  65 -12.796   1.888 -10.865
 1317   3HG1  VAL  65          HG13      VAL  65 -13.138   0.302 -11.553
 1318   1HG2  VAL  65          HG21      VAL  65 -15.036   2.744 -11.478
 1319   2HG2  VAL  65          HG22      VAL  65 -16.486   1.877 -10.974
 1320   3HG2  VAL  65          HG23      VAL  65 -15.444   1.200 -12.225
 1321    H    ASN  66           HN       ASN  66 -14.870   0.431  -7.568
 1322    HA   ASN  66           HA       ASN  66 -12.723  -1.405  -6.992
 1323   1HB   ASN  66          HB2       ASN  66 -14.061   0.473  -5.056
 1324   2HB   ASN  66          HB1       ASN  66 -12.463  -0.254  -4.936
 1325   1HD2  ASN  66          HD21      ASN  66 -11.624   1.868  -4.674
 1326   2HD2  ASN  66          HD22      ASN  66 -11.367   2.881  -6.050
 1327    H    GLN  67           HN       GLN  67 -15.463  -2.549  -7.389
 1328    HA   GLN  67           HA       GLN  67 -16.808  -3.428  -5.234
 1329   1HB   GLN  67          HB2       GLN  67 -17.395  -4.216  -7.406
 1330   2HB   GLN  67          HB1       GLN  67 -15.822  -4.965  -7.632
 1331   1HG   GLN  67          HG2       GLN  67 -17.538  -5.930  -5.407
 1332   2HG   GLN  67          HG1       GLN  67 -17.960  -6.372  -7.065
 1333   1HE2  GLN  67          HE21      GLN  67 -15.769  -6.870  -4.429
 1334   2HE2  GLN  67          HE22      GLN  67 -14.807  -8.106  -5.162
 1335    H    ASP  68           HN       ASP  68 -13.944  -5.046  -6.520
 1336    HA   ASP  68           HA       ASP  68 -13.529  -6.595  -4.141
 1337   1HB   ASP  68          HB2       ASP  68 -11.591  -6.272  -6.409
 1338   2HB   ASP  68          HB1       ASP  68 -11.807  -7.662  -5.353
 1339    H    SER  69           HN       SER  69 -13.350  -3.628  -3.813
 1340    HA   SER  69           HA       SER  69 -10.729  -2.736  -3.781
 1341   1HB   SER  69          HB2       SER  69 -12.665  -1.238  -3.381
 1342   2HB   SER  69          HB1       SER  69 -12.942  -2.006  -1.827
 1343    HG   SER  69           HG       SER  69 -10.613  -1.339  -1.464
 1344    H    GLU  70           HN       GLU  70 -12.249  -5.105  -1.830
 1345    HA   GLU  70           HA       GLU  70  -9.758  -5.435  -0.361
 1346   1HB   GLU  70          HB2       GLU  70 -10.850  -4.476   1.434
 1347   2HB   GLU  70          HB1       GLU  70 -12.406  -4.988   0.852
 1348   1HG   GLU  70          HG2       GLU  70 -12.011  -7.258   1.560
 1349   2HG   GLU  70          HG1       GLU  70 -10.387  -6.825   2.075
 1350    H    LEU  71           HN       LEU  71  -9.555  -7.529   0.565
 1351    HA   LEU  71           HA       LEU  71 -11.357  -9.532  -0.454
 1352   1HB   LEU  71          HB2       LEU  71  -9.671  -9.331  -2.032
 1353   2HB   LEU  71          HB1       LEU  71  -8.429  -9.212  -0.807
 1354    HG   LEU  71           HG       LEU  71  -8.556 -11.269  -2.039
 1355   1HD1  LEU  71          HD11      LEU  71  -7.987 -10.838   0.598
 1356   2HD1  LEU  71          HD12      LEU  71  -7.338 -12.091  -0.455
 1357   3HD1  LEU  71          HD13      LEU  71  -8.765 -12.394   0.496
 1358   1HD2  LEU  71          HD21      LEU  71 -10.293 -12.915  -1.220
 1359   2HD2  LEU  71          HD22      LEU  71 -10.766 -11.734  -2.398
 1360   3HD2  LEU  71          HD23      LEU  71 -11.159 -11.489  -0.727
 1361    H    ARG  72           HN       ARG  72 -11.621 -11.256   0.877
 1362    HA   ARG  72           HA       ARG  72 -10.048 -11.431   3.336
 1363   1HB   ARG  72          HB2       ARG  72 -12.670 -12.789   2.757
 1364   2HB   ARG  72          HB1       ARG  72 -11.933 -12.501   4.325
 1365   1HG   ARG  72          HG2       ARG  72 -13.230 -10.525   2.487
 1366   2HG   ARG  72          HG1       ARG  72 -13.726 -10.981   4.117
 1367   1HD   ARG  72          HD2       ARG  72 -11.345  -9.367   3.259
 1368   2HD   ARG  72          HD1       ARG  72 -12.698  -8.866   4.269
 1369    HE   ARG  72           HE       ARG  72 -10.382 -10.398   5.093
 1370   1HH1  ARG  72          HH11      ARG  72 -13.621  -9.363   5.877
 1371   2HH1  ARG  72          HH12      ARG  72 -13.418  -9.596   7.579
 1372   1HH2  ARG  72          HH21      ARG  72 -10.115 -10.708   7.335
 1373   2HH2  ARG  72          HH22      ARG  72 -11.430 -10.362   8.407
 1374    H    PHE  73           HN       PHE  73 -11.053 -13.034   0.451
 1375    HA   PHE  73           HA       PHE  73  -9.637 -15.464   1.064
 1376   1HB   PHE  73          HB2       PHE  73 -10.579 -16.332  -1.114
 1377   2HB   PHE  73          HB1       PHE  73 -11.715 -15.970   0.142
 1378    HD1  PHE  73           HD1      PHE  73 -12.717 -13.472  -0.072
 1379    HD2  PHE  73           HD2      PHE  73 -11.232 -15.829  -3.251
 1380    HE1  PHE  73           HE1      PHE  73 -14.031 -12.131  -1.631
 1381    HE2  PHE  73           HE2      PHE  73 -12.565 -14.519  -4.842
 1382    HZ   PHE  73           HZ       PHE  73 -13.973 -12.665  -4.039
 1383    H    SER  74           HN       SER  74  -9.698 -14.370  -2.308
 1384    HA   SER  74           HA       SER  74  -6.796 -14.236  -2.132
 1385   1HB   SER  74          HB2       SER  74  -6.746 -15.178  -4.506
 1386   2HB   SER  74          HB1       SER  74  -7.053 -16.298  -3.172
 1387    HG   SER  74           HG       SER  74  -8.505 -16.510  -4.998
 1388    H    GLU  75           HN       GLU  75  -9.559 -12.743  -3.387
 1389    HA   GLU  75           HA       GLU  75  -8.451 -11.235  -5.464
 1390   1HB   GLU  75          HB2       GLU  75 -10.640 -10.398  -3.570
 1391   2HB   GLU  75          HB1       GLU  75 -10.361  -9.759  -5.181
 1392   1HG   GLU  75          HG2       GLU  75 -11.070 -12.608  -4.585
 1393   2HG   GLU  75          HG1       GLU  75 -12.236 -11.360  -5.012
 1394    H    TYR  76           HN       TYR  76  -6.813 -11.130  -2.754
 1395    HA   TYR  76           HA       TYR  76  -7.025  -8.562  -1.818
 1396   1HB   TYR  76          HB2       TYR  76  -5.208 -10.737  -1.391
 1397   2HB   TYR  76          HB1       TYR  76  -4.401  -9.186  -1.285
 1398    HD1  TYR  76           HD1      TYR  76  -6.737  -7.649  -0.046
 1399    HD2  TYR  76           HD2      TYR  76  -5.068 -11.454   0.737
 1400    HE1  TYR  76           HE1      TYR  76  -7.610  -7.535   2.234
 1401    HE2  TYR  76           HE2      TYR  76  -5.929 -11.396   3.020
 1402    HH   TYR  76           HH       TYR  76  -8.178  -9.027   4.072
 1403    H    TRP  77           HN       TRP  77  -5.492  -9.925  -4.558
 1404    HA   TRP  77           HA       TRP  77  -3.528  -8.014  -5.164
 1405   1HB   TRP  77          HB2       TRP  77  -3.982  -8.635  -7.564
 1406   2HB   TRP  77          HB1       TRP  77  -3.710 -10.012  -6.503
 1407    HD1  TRP  77           HD1      TRP  77  -6.772  -8.063  -7.877
 1408    HE1  TRP  77           HE1      TRP  77  -8.632  -9.770  -8.363
 1409    HE3  TRP  77           HE3      TRP  77  -4.443 -12.294  -6.267
 1410    HZ2  TRP  77           HZ2      TRP  77  -9.056 -12.560  -8.086
 1411    HZ3  TRP  77           HZ3      TRP  77  -5.623 -14.430  -6.389
 1412    HH2  TRP  77           HH2      TRP  77  -7.873 -14.565  -7.270
 1413    H    ARG  78           HN       ARG  78  -6.952  -7.636  -5.018
 1414    HA   ARG  78           HA       ARG  78  -7.059  -5.424  -6.779
 1415   1HB   ARG  78          HB2       ARG  78  -8.956  -6.646  -4.794
 1416   2HB   ARG  78          HB1       ARG  78  -9.344  -5.129  -5.612
 1417   1HG   ARG  78          HG2       ARG  78  -8.479  -7.426  -7.269
 1418   2HG   ARG  78          HG1       ARG  78 -10.093  -7.469  -6.570
 1419   1HD   ARG  78          HD2       ARG  78 -10.371  -5.109  -7.510
 1420   2HD   ARG  78          HD1       ARG  78  -8.917  -5.448  -8.454
 1421    HE   ARG  78           HE       ARG  78 -10.781  -7.535  -8.804
 1422   1HH1  ARG  78          HH11      ARG  78 -10.238  -4.207  -9.670
 1423   2HH1  ARG  78          HH12      ARG  78 -11.140  -4.308 -11.145
 1424   1HH2  ARG  78          HH21      ARG  78 -11.968  -7.682 -10.743
 1425   2HH2  ARG  78          HH22      ARG  78 -12.126  -6.286 -11.755
 1426    H    LEU  79           HN       LEU  79  -6.280  -6.006  -3.528
 1427    HA   LEU  79           HA       LEU  79  -6.535  -3.307  -2.611
 1428   1HB   LEU  79          HB2       LEU  79  -5.398  -5.790  -1.360
 1429   2HB   LEU  79          HB1       LEU  79  -5.564  -4.244  -0.535
 1430    HG   LEU  79           HG       LEU  79  -8.023  -4.399  -1.158
 1431   1HD1  LEU  79          HD11      LEU  79  -8.683  -6.037  -2.415
 1432   2HD1  LEU  79          HD12      LEU  79  -8.417  -7.099  -1.032
 1433   3HD1  LEU  79          HD13      LEU  79  -7.151  -6.868  -2.219
 1434   1HD2  LEU  79          HD21      LEU  79  -8.019  -6.417   0.748
 1435   2HD2  LEU  79          HD22      LEU  79  -8.123  -4.684   1.029
 1436   3HD2  LEU  79          HD23      LEU  79  -6.550  -5.486   1.027
 1437    H    ILE  80           HN       ILE  80  -4.311  -5.012  -4.402
 1438    HA   ILE  80           HA       ILE  80  -1.880  -4.141  -3.407
 1439    HB   ILE  80           HB       ILE  80  -2.340  -5.855  -5.261
 1440   1HG1  ILE  80          HG12      ILE  80  -0.183  -3.825  -5.897
 1441   2HG1  ILE  80          HG11      ILE  80  -0.082  -4.922  -4.524
 1442   1HG2  ILE  80          HG21      ILE  80  -2.384  -5.098  -7.531
 1443   2HG2  ILE  80          HG22      ILE  80  -2.211  -3.414  -7.036
 1444   3HG2  ILE  80          HG23      ILE  80  -3.689  -4.294  -6.662
 1445   1HD1  ILE  80          HD11      ILE  80   1.181  -5.748  -6.425
 1446   2HD1  ILE  80          HD12      ILE  80  -0.278  -5.728  -7.416
 1447   3HD1  ILE  80          HD13      ILE  80  -0.160  -6.825  -6.041
 1448    H    GLY  81           HN       GLY  81  -4.010  -2.632  -5.839
 1449   1HA   GLY  81          HA2       GLY  81  -2.411  -0.220  -5.873
 1450   2HA   GLY  81          HA1       GLY  81  -3.879  -0.517  -6.794
 1451    H    GLU  82           HN       GLU  82  -4.548  -1.375  -3.649
 1452    HA   GLU  82           HA       GLU  82  -6.146   0.956  -3.277
 1453   1HB   GLU  82          HB2       GLU  82  -5.726  -1.525  -1.727
 1454   2HB   GLU  82          HB1       GLU  82  -6.721  -0.224  -1.096
 1455   1HG   GLU  82          HG2       GLU  82  -7.178  -1.787  -3.627
 1456   2HG   GLU  82          HG1       GLU  82  -8.136  -1.859  -2.146
 1457    H    LEU  83           HN       LEU  83  -3.687  -0.638  -1.264
 1458    HA   LEU  83           HA       LEU  83  -3.423   1.318   0.672
 1459   1HB   LEU  83          HB2       LEU  83  -1.624  -0.764  -0.440
 1460   2HB   LEU  83          HB1       LEU  83  -0.881   0.497   0.524
 1461    HG   LEU  83           HG       LEU  83  -3.208  -1.108   1.551
 1462   1HD1  LEU  83          HD11      LEU  83  -1.600  -2.560   2.669
 1463   2HD1  LEU  83          HD12      LEU  83  -0.271  -1.728   1.863
 1464   3HD1  LEU  83          HD13      LEU  83  -1.427  -2.664   0.919
 1465   1HD2  LEU  83          HD21      LEU  83  -2.135  -0.463   3.729
 1466   2HD2  LEU  83          HD22      LEU  83  -2.812   0.874   2.801
 1467   3HD2  LEU  83          HD23      LEU  83  -1.070   0.600   2.809
 1468    H    ALA  84           HN       ALA  84  -2.450   1.264  -2.624
 1469    HA   ALA  84           HA       ALA  84  -0.554   3.333  -2.487
 1470   1HB   ALA  84          HB1       ALA  84  -2.019   1.907  -4.574
 1471   2HB   ALA  84          HB2       ALA  84  -0.335   2.425  -4.528
 1472   3HB   ALA  84          HB3       ALA  84  -1.596   3.563  -4.999
 1473    H    LYS  85           HN       LYS  85  -4.066   3.333  -2.764
 1474    HA   LYS  85           HA       LYS  85  -4.608   5.885  -3.612
 1475   1HB   LYS  85          HB2       LYS  85  -6.078   4.394  -1.449
 1476   2HB   LYS  85          HB1       LYS  85  -6.683   5.804  -2.291
 1477   1HG   LYS  85          HG2       LYS  85  -7.272   4.630  -4.100
 1478   2HG   LYS  85          HG1       LYS  85  -5.828   3.615  -4.040
 1479   1HD   LYS  85          HD2       LYS  85  -7.836   2.286  -3.656
 1480   2HD   LYS  85          HD1       LYS  85  -6.830   2.326  -2.208
 1481   1HE   LYS  85          HE2       LYS  85  -8.356   4.417  -1.691
 1482   2HE   LYS  85          HE1       LYS  85  -9.478   3.508  -2.707
 1483   1HZ   LYS  85          HZ1       LYS  85  -9.788   2.914  -0.410
 1484   2HZ   LYS  85          HZ2       LYS  85  -8.154   2.511  -0.248
 1485   3HZ   LYS  85          HZ3       LYS  85  -9.156   1.588  -1.250
 1486    H    GLU  86           HN       GLU  86  -3.172   4.938  -0.669
 1487    HA   GLU  86           HA       GLU  86  -3.545   7.496   0.598
 1488   1HB   GLU  86          HB2       GLU  86  -1.567   5.453   1.510
 1489   2HB   GLU  86          HB1       GLU  86  -2.530   6.569   2.469
 1490   1HG   GLU  86          HG2       GLU  86  -3.487   4.112   1.041
 1491   2HG   GLU  86          HG1       GLU  86  -3.322   4.348   2.772
 1492    H    VAL  87           HN       VAL  87  -0.832   5.658  -0.751
 1493    HA   VAL  87           HA       VAL  87   1.004   7.820  -0.369
 1494    HB   VAL  87           HB       VAL  87   1.865   5.662  -2.182
 1495   1HG1  VAL  87          HG11      VAL  87   2.942   7.172   0.168
 1496   2HG1  VAL  87          HG12      VAL  87   3.525   7.137  -1.494
 1497   3HG1  VAL  87          HG13      VAL  87   3.750   5.735  -0.451
 1498   1HG2  VAL  87          HG21      VAL  87   1.114   5.119   0.692
 1499   2HG2  VAL  87          HG22      VAL  87   2.213   4.108  -0.246
 1500   3HG2  VAL  87          HG23      VAL  87   0.532   4.280  -0.747
 1501    H    ARG  88           HN       ARG  88  -1.406   7.647  -2.490
 1502    HA   ARG  88           HA       ARG  88  -0.022   8.426  -4.894
 1503   1HB   ARG  88          HB2       ARG  88  -2.229   7.143  -4.747
 1504   2HB   ARG  88          HB1       ARG  88  -2.975   8.685  -4.349
 1505   1HG   ARG  88          HG2       ARG  88  -1.389   8.198  -6.857
 1506   2HG   ARG  88          HG1       ARG  88  -3.141   8.016  -6.745
 1507   1HD   ARG  88          HD2       ARG  88  -3.217  10.401  -5.930
 1508   2HD   ARG  88          HD1       ARG  88  -1.513  10.521  -6.370
 1509    HE   ARG  88           HE       ARG  88  -3.086   9.562  -8.536
 1510   1HH1  ARG  88          HH11      ARG  88  -2.204  12.444  -6.793
 1511   2HH1  ARG  88          HH12      ARG  88  -2.479  13.498  -8.139
 1512   1HH2  ARG  88          HH21      ARG  88  -3.449  10.940 -10.316
 1513   2HH2  ARG  88          HH22      ARG  88  -3.185  12.643 -10.143
 1514    H    LYS  89           HN       LYS  89  -2.198  10.072  -2.609
 1515    HA   LYS  89           HA       LYS  89  -1.695  12.667  -3.784
 1516   1HB   LYS  89          HB2       LYS  89  -2.987  13.466  -1.750
 1517   2HB   LYS  89          HB1       LYS  89  -3.872  12.434  -2.855
 1518   1HG   LYS  89          HG2       LYS  89  -2.551  10.864  -0.770
 1519   2HG   LYS  89          HG1       LYS  89  -3.598  12.134  -0.110
 1520   1HD   LYS  89          HD2       LYS  89  -4.760   9.944  -0.532
 1521   2HD   LYS  89          HD1       LYS  89  -5.500  11.359  -1.261
 1522   1HE   LYS  89          HE2       LYS  89  -4.380  10.757  -3.412
 1523   2HE   LYS  89          HE1       LYS  89  -3.840   9.271  -2.654
 1524   1HZ   LYS  89          HZ1       LYS  89  -6.151   8.666  -2.282
 1525   2HZ   LYS  89          HZ2       LYS  89  -5.845   8.917  -3.927
 1526   3HZ   LYS  89          HZ3       LYS  89  -6.662  10.095  -3.030
 1527    H    GLU  90           HN       GLU  90  -0.761  10.743  -1.082
 1528    HA   GLU  90           HA       GLU  90   0.585  12.652   0.439
 1529   1HB   GLU  90          HB2       GLU  90   0.741   9.673   0.144
 1530   2HB   GLU  90          HB1       GLU  90   1.741  10.537   1.317
 1531   1HG   GLU  90          HG2       GLU  90  -0.332  11.438   2.317
 1532   2HG   GLU  90          HG1       GLU  90  -1.276  10.464   1.173
 1533    H    LYS  91           HN       LYS  91   1.297  11.229  -2.593
 1534    HA   LYS  91           HA       LYS  91   4.053  11.182  -2.593
 1535   1HB   LYS  91          HB2       LYS  91   3.959  11.149  -4.922
 1536   2HB   LYS  91          HB1       LYS  91   2.452  10.411  -4.419
 1537   1HG   LYS  91          HG2       LYS  91   1.307  12.568  -4.802
 1538   2HG   LYS  91          HG1       LYS  91   2.826  13.232  -5.402
 1539   1HD   LYS  91          HD2       LYS  91   2.865  11.618  -7.204
 1540   2HD   LYS  91          HD1       LYS  91   1.417  10.833  -6.570
 1541   1HE   LYS  91          HE2       LYS  91   0.143  12.891  -6.955
 1542   2HE   LYS  91          HE1       LYS  91   1.591  13.666  -7.596
 1543   1HZ   LYS  91          HZ1       LYS  91   0.255  11.278  -8.753
 1544   2HZ   LYS  91          HZ2       LYS  91   1.637  12.029  -9.371
 1545   3HZ   LYS  91          HZ3       LYS  91   0.160  12.853  -9.364
 1546    H    ALA  92           HN       ALA  92   1.887  13.852  -3.466
 1547    HA   ALA  92           HA       ALA  92   4.109  15.698  -3.623
 1548   1HB   ALA  92          HB1       ALA  92   2.391  17.382  -4.135
 1549   2HB   ALA  92          HB2       ALA  92   1.139  16.178  -3.826
 1550   3HB   ALA  92          HB3       ALA  92   2.262  15.959  -5.169
 1551    H    LEU  93           HN       LEU  93   1.721  14.779  -1.262
 1552    HA   LEU  93           HA       LEU  93   2.116  17.103   0.377
 1553   1HB   LEU  93          HB2       LEU  93   0.030  15.686   0.346
 1554   2HB   LEU  93          HB1       LEU  93   0.938  14.462   1.217
 1555    HG   LEU  93           HG       LEU  93   0.910  17.196   2.370
 1556   1HD1  LEU  93          HD11      LEU  93  -1.243  16.871   3.418
 1557   2HD1  LEU  93          HD12      LEU  93  -1.448  15.327   2.591
 1558   3HD1  LEU  93          HD13      LEU  93  -1.426  16.826   1.665
 1559   1HD2  LEU  93          HD21      LEU  93   0.847  15.930   4.458
 1560   2HD2  LEU  93          HD22      LEU  93   2.164  15.380   3.422
 1561   3HD2  LEU  93          HD23      LEU  93   0.686  14.428   3.550
 1562    H    GLY  94           HN       GLY  94   3.521  13.944   0.089
 1563   1HA   GLY  94          HA2       GLY  94   4.723  13.406   2.457
 1564   2HA   GLY  94          HA1       GLY  94   5.527  13.173   0.907
 1565    H    ILE  95           HN       ILE  95   5.610  15.905   0.203
 1566    HA   ILE  95           HA       ILE  95   8.093  16.591   1.344
 1567    HB   ILE  95           HB       ILE  95   7.396  17.261  -0.915
 1568   1HG1  ILE  95          HG12      ILE  95   8.062  19.769  -0.610
 1569   2HG1  ILE  95          HG11      ILE  95   8.297  19.306   1.074
 1570   1HG2  ILE  95          HG21      ILE  95   5.783  19.486   0.181
 1571   2HG2  ILE  95          HG22      ILE  95   5.048  17.893   0.056
 1572   3HG2  ILE  95          HG23      ILE  95   5.687  18.682  -1.387
 1573   1HD1  ILE  95          HD11      ILE  95   9.898  17.600   0.377
 1574   2HD1  ILE  95          HD12      ILE  95  10.381  19.214  -0.145
 1575   3HD1  ILE  95          HD13      ILE  95   9.677  18.087  -1.304
 1576    H    ARG  96           HN       ARG  96   7.017  16.350   3.625
 1577    HA   ARG  96           HA       ARG  96   5.471  18.492   4.619
 1578   1HB   ARG  96          HB2       ARG  96   6.124  16.148   5.679
 1579   2HB   ARG  96          HB1       ARG  96   7.419  17.096   6.403
 1580   1HG   ARG  96          HG2       ARG  96   5.753  17.203   8.001
 1581   2HG   ARG  96          HG1       ARG  96   5.529  18.706   7.099
 1582   1HD   ARG  96          HD2       ARG  96   3.378  17.711   7.440
 1583   2HD   ARG  96          HD1       ARG  96   3.800  17.564   5.732
 1584    HE   ARG  96           HE       ARG  96   4.644  15.222   6.860
 1585   1HH1  ARG  96          HH11      ARG  96   1.615  16.934   6.694
 1586   2HH1  ARG  96          HH12      ARG  96   0.652  15.495   6.742
 1587   1HH2  ARG  96          HH21      ARG  96   3.386  13.323   6.925
 1588   2HH2  ARG  96          HH22      ARG  96   1.659  13.442   6.874
 1589    H    LYS  97           HN       LYS  97   8.834  18.044   3.972
 1590    HA   LYS  97           HA       LYS  97   9.580  20.518   5.308
 1591   1HB   LYS  97          HB2       LYS  97  11.879  19.892   4.664
 1592   2HB   LYS  97          HB1       LYS  97  11.081  18.597   5.545
 1593   1HG   LYS  97          HG2       LYS  97  10.498  17.907   2.986
 1594   2HG   LYS  97          HG1       LYS  97  12.074  18.673   2.786
 1595   1HD   LYS  97          HD2       LYS  97  13.033  16.817   3.465
 1596   2HD   LYS  97          HD1       LYS  97  12.289  17.039   5.049
 1597   1HE   LYS  97          HE2       LYS  97  10.828  15.740   2.770
 1598   2HE   LYS  97          HE1       LYS  97  11.884  14.821   3.837
 1599   1HZ   LYS  97          HZ1       LYS  97  10.539  15.452   5.710
 1600   2HZ   LYS  97          HZ2       LYS  97   9.549  14.757   4.528
 1601   3HZ   LYS  97          HZ3       LYS  97   9.562  16.433   4.739
 1602    H    LYS  98           HN       LYS  98   8.315  21.887   3.941
 1603    HA   LYS  98           HA       LYS  98   9.227  22.097   1.161
 1604   1HB   LYS  98          HB2       LYS  98   6.844  23.384   2.508
 1605   2HB   LYS  98          HB1       LYS  98   7.244  23.507   0.803
 1606   1HG   LYS  98          HG2       LYS  98   7.125  20.823   1.064
 1607   2HG   LYS  98          HG1       LYS  98   5.967  21.319   2.300
 1608   1HD   LYS  98          HD2       LYS  98   4.670  21.106   0.372
 1609   2HD   LYS  98          HD1       LYS  98   4.985  22.840   0.476
 1610   1HE   LYS  98          HE2       LYS  98   6.839  22.580  -1.118
 1611   2HE   LYS  98          HE1       LYS  98   6.479  20.858  -1.241
 1612   1HZ   LYS  98          HZ1       LYS  98   4.272  21.447  -2.087
 1613   2HZ   LYS  98          HZ2       LYS  98   5.504  22.046  -3.077
 1614   3HZ   LYS  98          HZ3       LYS  98   4.680  23.088  -2.030
  Start of MODEL   16
    1   1H    MET   1          HT1       MET   1 -19.449   4.474  -2.380
    2   2H    MET   1          HT2       MET   1 -18.065   3.507  -2.459
    3   3H    MET   1          HT3       MET   1 -18.886   3.922  -3.876
    4    HA   MET   1           HA       MET   1 -18.339   6.234  -3.561
    5   1HB   MET   1          HB2       MET   1 -17.392   5.199  -0.984
    6   2HB   MET   1          HB1       MET   1 -16.295   6.293  -1.765
    7   1HG   MET   1          HG2       MET   1 -18.063   7.238  -0.108
    8   2HG   MET   1          HG1       MET   1 -17.708   8.105  -1.577
    9   1HE   MET   1          HE1       MET   1 -19.534   9.509  -1.449
   10   2HE   MET   1          HE2       MET   1 -21.195   9.134  -1.903
   11   3HE   MET   1          HE3       MET   1 -19.908   9.038  -3.106
   12    H    ALA   2           HN       ALA   2 -16.093   7.153  -3.911
   13    HA   ALA   2           HA       ALA   2 -14.508   5.159  -5.335
   14   1HB   ALA   2          HB1       ALA   2 -13.668   7.046  -6.717
   15   2HB   ALA   2          HB2       ALA   2 -14.805   8.101  -5.877
   16   3HB   ALA   2          HB3       ALA   2 -15.401   6.771  -6.867
   17    H    ALA   3           HN       ALA   3 -12.179   5.522  -5.469
   18    HA   ALA   3           HA       ALA   3 -11.069   6.008  -2.900
   19   1HB   ALA   3          HB1       ALA   3  -9.675   5.708  -5.563
   20   2HB   ALA   3          HB2       ALA   3 -10.081   4.393  -4.461
   21   3HB   ALA   3          HB3       ALA   3  -8.908   5.618  -3.977
   22    H    GLU   4           HN       GLU   4 -11.968   8.171  -2.628
   23    HA   GLU   4           HA       GLU   4 -11.062  10.309  -4.254
   24   1HB   GLU   4          HB2       GLU   4 -13.139  10.164  -2.738
   25   2HB   GLU   4          HB1       GLU   4 -12.066  10.644  -1.436
   26   1HG   GLU   4          HG2       GLU   4 -12.267  12.207  -3.978
   27   2HG   GLU   4          HG1       GLU   4 -13.398  12.452  -2.651
   28    H    THR   5           HN       THR   5 -10.422  11.300  -1.029
   29    HA   THR   5           HA       THR   5  -7.635  11.407  -1.686
   30    HB   THR   5           HB       THR   5  -8.609  12.225   0.985
   31    HG1  THR   5           HG1      THR   5  -9.170  13.591  -1.450
   32   1HG2  THR   5          HG21      THR   5  -6.822  13.652   0.919
   33   2HG2  THR   5          HG22      THR   5  -6.935  13.882  -0.827
   34   3HG2  THR   5          HG23      THR   5  -6.234  12.398  -0.176
   35    H    LEU   6           HN       LEU   6  -6.836  11.242   1.235
   36    HA   LEU   6           HA       LEU   6  -5.972   8.570   1.213
   37   1HB   LEU   6          HB2       LEU   6  -5.908  10.747   3.286
   38   2HB   LEU   6          HB1       LEU   6  -5.184   9.182   3.532
   39    HG   LEU   6           HG       LEU   6  -4.022   9.935   1.190
   40   1HD1  LEU   6          HD11      LEU   6  -4.286  12.417   2.883
   41   2HD1  LEU   6          HD12      LEU   6  -5.083  12.154   1.335
   42   3HD1  LEU   6          HD13      LEU   6  -3.325  12.242   1.414
   43   1HD2  LEU   6          HD21      LEU   6  -2.246  10.855   3.004
   44   2HD2  LEU   6          HD22      LEU   6  -2.512   9.147   2.656
   45   3HD2  LEU   6          HD23      LEU   6  -3.303   9.897   4.040
   46    H    THR   7           HN       THR   7  -7.453   6.956   1.528
   47    HA   THR   7           HA       THR   7  -9.663   7.310   3.308
   48    HB   THR   7           HB       THR   7  -9.084   4.517   2.822
   49    HG1  THR   7           HG1      THR   7  -8.026   5.054   0.969
   50   1HG2  THR   7          HG21      THR   7 -11.300   5.025   1.370
   51   2HG2  THR   7          HG22      THR   7 -11.318   6.426   2.441
   52   3HG2  THR   7          HG23      THR   7 -11.312   4.798   3.116
   53    H    GLU   8           HN       GLU   8  -9.976   5.462   5.008
   54    HA   GLU   8           HA       GLU   8  -8.430   5.911   7.186
   55   1HB   GLU   8          HB2       GLU   8  -9.411   3.122   6.692
   56   2HB   GLU   8          HB1       GLU   8  -9.315   4.009   8.205
   57   1HG   GLU   8          HG2       GLU   8 -11.271   4.429   5.967
   58   2HG   GLU   8          HG1       GLU   8 -11.600   3.825   7.587
   59    H    LEU   9           HN       LEU   9  -7.598   3.886   4.499
   60    HA   LEU   9           HA       LEU   9  -5.630   2.276   5.593
   61   1HB   LEU   9          HB2       LEU   9  -5.598   3.502   2.857
   62   2HB   LEU   9          HB1       LEU   9  -4.863   1.991   3.336
   63    HG   LEU   9           HG       LEU   9  -7.765   2.636   2.934
   64   1HD1  LEU   9          HD11      LEU   9  -7.744   0.934   1.331
   65   2HD1  LEU   9          HD12      LEU   9  -6.221   0.274   1.917
   66   3HD1  LEU   9          HD13      LEU   9  -6.242   1.820   1.072
   67   1HD2  LEU   9          HD21      LEU   9  -6.609   0.736   4.833
   68   2HD2  LEU   9          HD22      LEU   9  -7.770   0.019   3.716
   69   3HD2  LEU   9          HD23      LEU   9  -8.246   1.384   4.726
   70    H    GLU  10           HN       GLU  10  -5.473   5.699   4.791
   71    HA   GLU  10           HA       GLU  10  -2.711   6.035   4.465
   72   1HB   GLU  10          HB2       GLU  10  -3.187   8.310   5.664
   73   2HB   GLU  10          HB1       GLU  10  -3.890   7.978   4.089
   74   1HG   GLU  10          HG2       GLU  10  -5.952   8.115   4.864
   75   2HG   GLU  10          HG1       GLU  10  -5.590   7.095   6.251
   76    H    ALA  11           HN       ALA  11  -4.660   5.491   7.323
   77    HA   ALA  11           HA       ALA  11  -2.785   6.096   9.312
   78   1HB   ALA  11          HB1       ALA  11  -4.710   3.789   9.497
   79   2HB   ALA  11          HB2       ALA  11  -5.248   5.462   9.595
   80   3HB   ALA  11          HB3       ALA  11  -4.119   4.831  10.791
   81    H    ALA  12           HN       ALA  12  -3.246   3.350   7.220
   82    HA   ALA  12           HA       ALA  12  -1.359   1.628   8.468
   83   1HB   ALA  12          HB1       ALA  12  -2.194   1.525   5.578
   84   2HB   ALA  12          HB2       ALA  12  -3.222   0.947   6.888
   85   3HB   ALA  12          HB3       ALA  12  -1.652   0.196   6.605
   86    H    ILE  13           HN       ILE  13  -1.204   4.060   5.933
   87    HA   ILE  13           HA       ILE  13   1.310   3.536   4.914
   88    HB   ILE  13           HB       ILE  13  -0.220   6.099   5.211
   89   1HG1  ILE  13          HG12      ILE  13  -0.465   5.949   2.842
   90   2HG1  ILE  13          HG11      ILE  13   0.768   4.699   2.731
   91   1HG2  ILE  13          HG21      ILE  13   2.079   6.807   5.432
   92   2HG2  ILE  13          HG22      ILE  13   1.481   7.241   3.830
   93   3HG2  ILE  13          HG23      ILE  13   2.540   5.845   4.028
   94   1HD1  ILE  13          HD11      ILE  13  -0.670   3.099   3.761
   95   2HD1  ILE  13          HD12      ILE  13  -1.557   3.883   2.454
   96   3HD1  ILE  13          HD13      ILE  13  -1.866   4.338   4.128
   97    H    GLU  14           HN       GLU  14   0.364   4.728   8.008
   98    HA   GLU  14           HA       GLU  14   2.788   5.979   8.765
   99   1HB   GLU  14          HB2       GLU  14   0.621   4.755  10.478
  100   2HB   GLU  14          HB1       GLU  14   1.897   5.817  11.058
  101   1HG   GLU  14          HG2       GLU  14   1.039   7.616   9.639
  102   2HG   GLU  14          HG1       GLU  14  -0.248   6.551   9.077
  103    H    THR  15           HN       THR  15   1.606   2.648   8.958
  104    HA   THR  15           HA       THR  15   3.726   1.728  10.653
  105    HB   THR  15           HB       THR  15   2.006   0.144   8.734
  106    HG1  THR  15           HG1      THR  15   0.890  -0.382  10.750
  107   1HG2  THR  15          HG21      THR  15   4.029  -1.060   9.352
  108   2HG2  THR  15          HG22      THR  15   2.620  -1.789  10.124
  109   3HG2  THR  15          HG23      THR  15   3.704  -0.758  11.059
  110    H    VAL  16           HN       VAL  16   3.032   1.123   7.237
  111    HA   VAL  16           HA       VAL  16   5.294  -0.089   6.388
  112    HB   VAL  16           HB       VAL  16   3.421   0.281   4.928
  113   1HG1  VAL  16          HG11      VAL  16   2.819   2.427   4.044
  114   2HG1  VAL  16          HG12      VAL  16   4.197   3.193   4.828
  115   3HG1  VAL  16          HG13      VAL  16   2.877   2.547   5.802
  116   1HG2  VAL  16          HG21      VAL  16   5.227  -0.143   3.570
  117   2HG2  VAL  16          HG22      VAL  16   6.076   1.325   4.028
  118   3HG2  VAL  16          HG23      VAL  16   4.699   1.405   2.931
  119    H    VAL  17           HN       VAL  17   4.842   3.427   6.644
  120    HA   VAL  17           HA       VAL  17   7.421   4.118   5.738
  121    HB   VAL  17           HB       VAL  17   5.560   5.734   5.843
  122   1HG1  VAL  17          HG11      VAL  17   6.021   5.614   8.820
  123   2HG1  VAL  17          HG12      VAL  17   4.576   5.089   7.959
  124   3HG1  VAL  17          HG13      VAL  17   5.008   6.797   7.994
  125   1HG2  VAL  17          HG21      VAL  17   7.986   6.539   7.443
  126   2HG2  VAL  17          HG22      VAL  17   6.877   7.639   6.625
  127   3HG2  VAL  17          HG23      VAL  17   7.864   6.522   5.684
  128    H    SER  18           HN       SER  18   6.059   3.296   8.844
  129    HA   SER  18           HA       SER  18   8.433   3.951  10.347
  130   1HB   SER  18          HB2       SER  18   5.881   2.557  11.174
  131   2HB   SER  18          HB1       SER  18   7.164   3.061  12.274
  132    HG   SER  18           HG       SER  18   6.787   5.232  11.435
  133    H    THR  19           HN       THR  19   7.493   1.297   8.482
  134    HA   THR  19           HA       THR  19   8.867  -0.646  10.126
  135    HB   THR  19           HB       THR  19   8.317  -2.285   8.335
  136    HG1  THR  19           HG1      THR  19   7.528   0.046   7.039
  137   1HG2  THR  19          HG21      THR  19   6.802  -2.143  10.155
  138   2HG2  THR  19          HG22      THR  19   5.818  -2.155   8.692
  139   3HG2  THR  19          HG23      THR  19   6.104  -0.642   9.549
  140    H    PHE  20           HN       PHE  20   9.277  -0.758   6.676
  141    HA   PHE  20           HA       PHE  20  12.133  -1.109   6.976
  142   1HB   PHE  20          HB2       PHE  20  11.733  -2.618   5.363
  143   2HB   PHE  20          HB1       PHE  20  10.090  -2.035   5.201
  144    HD1  PHE  20           HD1      PHE  20   9.472  -1.700   3.059
  145    HD2  PHE  20           HD2      PHE  20  13.467  -0.740   4.176
  146    HE1  PHE  20           HE1      PHE  20   9.937  -0.985   0.756
  147    HE2  PHE  20           HE2      PHE  20  13.930  -0.021   1.871
  148    HZ   PHE  20           HZ       PHE  20  12.170  -0.138   0.162
  149    H    PHE  21           HN       PHE  21   9.871   1.169   5.819
  150    HA   PHE  21           HA       PHE  21  11.581   2.800   4.371
  151   1HB   PHE  21          HB2       PHE  21   9.062   3.292   5.938
  152   2HB   PHE  21          HB1       PHE  21   9.829   4.581   5.038
  153    HD1  PHE  21           HD1      PHE  21   7.550   4.711   3.889
  154    HD2  PHE  21           HD2      PHE  21  10.164   1.359   3.502
  155    HE1  PHE  21           HE1      PHE  21   6.300   3.977   1.920
  156    HE2  PHE  21           HE2      PHE  21   8.899   0.637   1.507
  157    HZ   PHE  21           HZ       PHE  21   6.978   1.941   0.718
  158    H    THR  22           HN       THR  22  11.387   2.082   7.722
  159    HA   THR  22           HA       THR  22  12.413   4.463   8.800
  160    HB   THR  22           HB       THR  22  13.243   3.139  10.641
  161    HG1  THR  22           HG1      THR  22  14.068   1.474   9.224
  162   1HG2  THR  22          HG21      THR  22  10.632   2.190   9.502
  163   2HG2  THR  22          HG22      THR  22  10.887   3.500  10.659
  164   3HG2  THR  22          HG23      THR  22  11.174   1.827  11.142
  165    H    PHE  23           HN       PHE  23  13.837   2.110   6.732
  166    HA   PHE  23           HA       PHE  23  16.551   2.545   7.422
  167   1HB   PHE  23          HB2       PHE  23  16.792   0.750   6.119
  168   2HB   PHE  23          HB1       PHE  23  15.104   0.862   5.678
  169    HD1  PHE  23           HD1      PHE  23  18.207   2.729   4.696
  170    HD2  PHE  23           HD2      PHE  23  14.801   0.502   3.489
  171    HE1  PHE  23           HE1      PHE  23  18.909   2.952   2.375
  172    HE2  PHE  23           HE2      PHE  23  15.510   0.721   1.153
  173    HZ   PHE  23           HZ       PHE  23  17.572   1.920   0.611
  174    H    ALA  24           HN       ALA  24  14.287   4.373   5.584
  175    HA   ALA  24           HA       ALA  24  15.824   5.839   3.826
  176   1HB   ALA  24          HB1       ALA  24  13.382   6.313   5.323
  177   2HB   ALA  24          HB2       ALA  24  13.806   6.853   3.701
  178   3HB   ALA  24          HB3       ALA  24  14.299   7.794   5.103
  179    H    GLY  25           HN       GLY  25  15.623   6.073   7.280
  180   1HA   GLY  25          HA2       GLY  25  16.991   8.391   7.838
  181   2HA   GLY  25          HA1       GLY  25  17.106   6.913   8.824
  182    H    ARG  26           HN       ARG  26  18.217   5.424   6.520
  183    HA   ARG  26           HA       ARG  26  20.894   5.402   6.946
  184   1HB   ARG  26          HB2       ARG  26  19.916   3.742   5.534
  185   2HB   ARG  26          HB1       ARG  26  19.328   4.947   4.398
  186   1HG   ARG  26          HG2       ARG  26  21.121   4.015   3.285
  187   2HG   ARG  26          HG1       ARG  26  21.837   5.455   4.006
  188   1HD   ARG  26          HD2       ARG  26  21.953   2.685   5.181
  189   2HD   ARG  26          HD1       ARG  26  23.246   3.440   4.251
  190    HE   ARG  26           HE       ARG  26  22.706   5.193   6.290
  191   1HH1  ARG  26          HH11      ARG  26  23.664   1.855   6.048
  192   2HH1  ARG  26          HH12      ARG  26  24.539   1.862   7.543
  193   1HH2  ARG  26          HH21      ARG  26  23.853   5.215   8.261
  194   2HH2  ARG  26          HH22      ARG  26  24.647   3.774   8.802
  195    H    GLU  27           HN       GLU  27  19.329   7.140   4.291
  196    HA   GLU  27           HA       GLU  27  21.056   9.435   4.686
  197   1HB   GLU  27          HB2       GLU  27  21.683   9.490   2.258
  198   2HB   GLU  27          HB1       GLU  27  22.432   8.179   3.158
  199   1HG   GLU  27          HG2       GLU  27  20.621   6.677   2.291
  200   2HG   GLU  27          HG1       GLU  27  20.121   8.004   1.244
  201    H    GLY  28           HN       GLY  28  19.096  10.384   5.283
  202   1HA   GLY  28          HA2       GLY  28  17.546  11.345   3.032
  203   2HA   GLY  28          HA1       GLY  28  16.655  10.377   4.193
  204    H    ARG  29           HN       ARG  29  19.114  12.974   4.477
  205    HA   ARG  29           HA       ARG  29  18.219  14.064   6.822
  206   1HB   ARG  29          HB2       ARG  29  20.225  14.929   5.874
  207   2HB   ARG  29          HB1       ARG  29  19.405  15.411   4.396
  208   1HG   ARG  29          HG2       ARG  29  20.032  17.268   5.974
  209   2HG   ARG  29          HG1       ARG  29  18.343  17.230   5.461
  210   1HD   ARG  29          HD2       ARG  29  18.600  17.682   7.872
  211   2HD   ARG  29          HD1       ARG  29  17.689  16.207   7.546
  212    HE   ARG  29           HE       ARG  29  20.447  15.642   7.911
  213   1HH1  ARG  29          HH11      ARG  29  17.541  16.455   9.649
  214   2HH1  ARG  29          HH12      ARG  29  18.046  15.683  11.113
  215   1HH2  ARG  29          HH21      ARG  29  21.122  14.623   9.833
  216   2HH2  ARG  29          HH22      ARG  29  20.084  14.643  11.219
  217    H    LYS  30           HN       LYS  30  17.327  15.292   3.622
  218    HA   LYS  30           HA       LYS  30  14.592  15.703   4.548
  219   1HB   LYS  30          HB2       LYS  30  16.333  17.844   3.303
  220   2HB   LYS  30          HB1       LYS  30  14.584  17.966   3.438
  221   1HG   LYS  30          HG2       LYS  30  16.465  17.656   5.768
  222   2HG   LYS  30          HG1       LYS  30  15.794  19.188   5.207
  223   1HD   LYS  30          HD2       LYS  30  13.530  18.335   5.628
  224   2HD   LYS  30          HD1       LYS  30  14.216  16.819   6.211
  225   1HE   LYS  30          HE2       LYS  30  13.604  18.299   8.061
  226   2HE   LYS  30          HE1       LYS  30  15.343  18.004   8.014
  227   1HZ   LYS  30          HZ1       LYS  30  13.983  20.426   6.960
  228   2HZ   LYS  30          HZ2       LYS  30  15.651  20.147   6.957
  229   3HZ   LYS  30          HZ3       LYS  30  14.829  20.335   8.423
  230    H    GLY  31           HN       GLY  31  15.571  13.654   2.921
  231   1HA   GLY  31          HA2       GLY  31  14.296  14.397   0.354
  232   2HA   GLY  31          HA1       GLY  31  15.863  13.596   0.343
  233    H    SER  32           HN       SER  32  15.911  11.418   0.397
  234    HA   SER  32           HA       SER  32  13.496  10.037   1.211
  235   1HB   SER  32          HB2       SER  32  13.504   8.758  -0.962
  236   2HB   SER  32          HB1       SER  32  12.957  10.437  -0.986
  237    HG   SER  32           HG       SER  32  15.069  11.002  -1.732
  238    H    LEU  33           HN       LEU  33  13.696   7.635   0.599
  239    HA   LEU  33           HA       LEU  33  16.064   6.623   1.931
  240   1HB   LEU  33          HB2       LEU  33  14.367   5.342   2.786
  241   2HB   LEU  33          HB1       LEU  33  13.346   5.695   1.435
  242    HG   LEU  33           HG       LEU  33  15.550   3.667   1.205
  243   1HD1  LEU  33          HD11      LEU  33  14.260   2.937   3.112
  244   2HD1  LEU  33          HD12      LEU  33  13.889   1.914   1.726
  245   3HD1  LEU  33          HD13      LEU  33  12.759   3.140   2.229
  246   1HD2  LEU  33          HD21      LEU  33  14.608   3.094  -0.761
  247   2HD2  LEU  33          HD22      LEU  33  13.944   4.723  -0.686
  248   3HD2  LEU  33          HD23      LEU  33  12.970   3.348  -0.174
  249    H    ASN  34           HN       ASN  34  17.304   4.801   0.909
  250    HA   ASN  34           HA       ASN  34  17.109   5.138  -2.012
  251   1HB   ASN  34          HB2       ASN  34  19.024   6.235  -0.575
  252   2HB   ASN  34          HB1       ASN  34  19.737   4.627  -0.649
  253   1HD2  ASN  34          HD21      ASN  34  21.465   5.210  -1.897
  254   2HD2  ASN  34          HD22      ASN  34  21.323   5.687  -3.552
  255    H    ILE  35           HN       ILE  35  19.626   3.115  -1.791
  256    HA   ILE  35           HA       ILE  35  18.032   0.759  -1.327
  257    HB   ILE  35           HB       ILE  35  19.545  -0.199  -3.317
  258   1HG1  ILE  35          HG12      ILE  35  20.470   2.103  -3.747
  259   2HG1  ILE  35          HG11      ILE  35  19.719   1.343  -5.143
  260   1HG2  ILE  35          HG21      ILE  35  17.589  -0.502  -4.422
  261   2HG2  ILE  35          HG22      ILE  35  17.061   1.163  -4.188
  262   3HG2  ILE  35          HG23      ILE  35  16.944   0.007  -2.862
  263   1HD1  ILE  35          HD11      ILE  35  19.198   3.863  -4.097
  264   2HD1  ILE  35          HD12      ILE  35  17.786   2.886  -3.704
  265   3HD1  ILE  35          HD13      ILE  35  18.322   3.031  -5.377
  266    H    ASN  36           HN       ASN  36  20.006   2.041   0.283
  267    HA   ASN  36           HA       ASN  36  22.355   0.373   0.174
  268   1HB   ASN  36          HB2       ASN  36  22.559   2.704   0.954
  269   2HB   ASN  36          HB1       ASN  36  21.442   2.361   2.272
  270   1HD2  ASN  36          HD21      ASN  36  24.644   1.865   1.023
  271   2HD2  ASN  36          HD22      ASN  36  25.341   1.269   2.487
  272    H    GLU  37           HN       GLU  37  19.936   1.005   2.717
  273    HA   GLU  37           HA       GLU  37  20.400  -1.616   3.796
  274   1HB   GLU  37          HB2       GLU  37  18.068   0.029   4.583
  275   2HB   GLU  37          HB1       GLU  37  18.992  -1.103   5.538
  276   1HG   GLU  37          HG2       GLU  37  20.915   0.462   5.346
  277   2HG   GLU  37          HG1       GLU  37  19.822   1.647   4.613
  278    H    PHE  38           HN       PHE  38  18.336  -0.277   1.360
  279    HA   PHE  38           HA       PHE  38  16.127  -1.904   1.552
  280   1HB   PHE  38          HB2       PHE  38  16.565  -0.096  -0.183
  281   2HB   PHE  38          HB1       PHE  38  17.550  -1.273  -1.043
  282    HD1  PHE  38           HD1      PHE  38  16.357  -3.533  -1.565
  283    HD2  PHE  38           HD2      PHE  38  14.360   0.111  -0.699
  284    HE1  PHE  38           HE1      PHE  38  14.343  -4.381  -2.702
  285    HE2  PHE  38           HE2      PHE  38  12.335  -0.720  -1.834
  286    HZ   PHE  38           HZ       PHE  38  12.326  -2.970  -2.837
  287    H    LYS  39           HN       LYS  39  19.411  -2.555   0.737
  288    HA   LYS  39           HA       LYS  39  19.144  -5.017  -0.447
  289   1HB   LYS  39          HB2       LYS  39  21.425  -3.958   1.149
  290   2HB   LYS  39          HB1       LYS  39  21.499  -5.336   0.055
  291   1HG   LYS  39          HG2       LYS  39  21.222  -4.029  -1.830
  292   2HG   LYS  39          HG1       LYS  39  20.550  -2.695  -0.892
  293   1HD   LYS  39          HD2       LYS  39  22.607  -1.993  -0.158
  294   2HD   LYS  39          HD1       LYS  39  23.297  -3.597  -0.347
  295   1HE   LYS  39          HE2       LYS  39  23.289  -3.336  -2.770
  296   2HE   LYS  39          HE1       LYS  39  22.540  -1.749  -2.601
  297   1HZ   LYS  39          HZ1       LYS  39  24.522  -1.006  -1.403
  298   2HZ   LYS  39          HZ2       LYS  39  24.902  -1.532  -2.965
  299   3HZ   LYS  39          HZ3       LYS  39  25.241  -2.520  -1.635
  300    H    GLU  40           HN       GLU  40  18.596  -4.134   2.655
  301    HA   GLU  40           HA       GLU  40  19.002  -6.742   3.797
  302   1HB   GLU  40          HB2       GLU  40  18.590  -5.803   5.873
  303   2HB   GLU  40          HB1       GLU  40  19.230  -4.413   5.006
  304   1HG   GLU  40          HG2       GLU  40  17.121  -3.431   4.807
  305   2HG   GLU  40          HG1       GLU  40  16.278  -4.919   5.237
  306    H    LEU  41           HN       LEU  41  16.751  -5.309   1.803
  307    HA   LEU  41           HA       LEU  41  14.367  -6.440   2.887
  308   1HB   LEU  41          HB2       LEU  41  14.888  -5.306   0.138
  309   2HB   LEU  41          HB1       LEU  41  13.316  -5.732   0.777
  310    HG   LEU  41           HG       LEU  41  14.995  -3.365   1.298
  311   1HD1  LEU  41          HD11      LEU  41  13.245  -2.366   0.429
  312   2HD1  LEU  41          HD12      LEU  41  12.199  -3.024   1.687
  313   3HD1  LEU  41          HD13      LEU  41  12.487  -3.941   0.208
  314   1HD2  LEU  41          HD21      LEU  41  13.132  -4.467   3.395
  315   2HD2  LEU  41          HD22      LEU  41  13.918  -2.889   3.430
  316   3HD2  LEU  41          HD23      LEU  41  14.886  -4.358   3.532
  317    H    ALA  42           HN       ALA  42  15.092  -7.018  -0.537
  318    HA   ALA  42           HA       ALA  42  14.030  -9.430  -0.781
  319   1HB   ALA  42          HB1       ALA  42  16.178  -9.772  -2.371
  320   2HB   ALA  42          HB2       ALA  42  16.065  -8.017  -2.233
  321   3HB   ALA  42          HB3       ALA  42  14.687  -8.946  -2.807
  322    H    THR  43           HN       THR  43  17.087  -8.753   0.718
  323    HA   THR  43           HA       THR  43  18.239 -11.270   0.750
  324    HB   THR  43           HB       THR  43  19.209 -10.299   2.992
  325    HG1  THR  43           HG1      THR  43  18.446  -7.830   1.888
  326   1HG2  THR  43          HG21      THR  43  20.507 -10.443   0.949
  327   2HG2  THR  43          HG22      THR  43  20.757  -8.865   1.695
  328   3HG2  THR  43          HG23      THR  43  19.686  -9.021   0.309
  329    H    GLN  44           HN       GLN  44  16.334  -9.701   3.332
  330    HA   GLN  44           HA       GLN  44  15.912 -12.184   4.673
  331   1HB   GLN  44          HB2       GLN  44  16.164 -10.225   6.052
  332   2HB   GLN  44          HB1       GLN  44  14.902  -9.381   5.167
  333   1HG   GLN  44          HG2       GLN  44  13.247 -10.964   6.033
  334   2HG   GLN  44          HG1       GLN  44  14.519 -11.787   6.935
  335   1HE2  GLN  44          HE21      GLN  44  15.437 -10.774   8.725
  336   2HE2  GLN  44          HE22      GLN  44  14.680  -9.431   9.506
  337    H    GLN  45           HN       GLN  45  14.155 -10.072   2.508
  338    HA   GLN  45           HA       GLN  45  11.614 -11.236   2.840
  339   1HB   GLN  45          HB2       GLN  45  12.765 -10.154   0.278
  340   2HB   GLN  45          HB1       GLN  45  11.073 -10.408   0.618
  341   1HG   GLN  45          HG2       GLN  45  11.064  -8.639   2.221
  342   2HG   GLN  45          HG1       GLN  45  12.812  -8.437   2.089
  343   1HE2  GLN  45          HE21      GLN  45   9.808  -7.508   0.908
  344   2HE2  GLN  45          HE22      GLN  45  10.357  -6.598  -0.463
  345    H    LEU  46           HN       LEU  46  14.531 -12.209   1.188
  346    HA   LEU  46           HA       LEU  46  13.719 -14.046  -0.627
  347   1HB   LEU  46          HB2       LEU  46  16.075 -13.928   1.153
  348   2HB   LEU  46          HB1       LEU  46  15.725 -15.483   0.442
  349    HG   LEU  46           HG       LEU  46  16.418 -12.927  -0.999
  350   1HD1  LEU  46          HD11      LEU  46  18.190 -14.414  -1.936
  351   2HD1  LEU  46          HD12      LEU  46  17.693 -15.641  -0.772
  352   3HD1  LEU  46          HD13      LEU  46  18.330 -14.098  -0.208
  353   1HD2  LEU  46          HD21      LEU  46  14.669 -13.869  -2.286
  354   2HD2  LEU  46          HD22      LEU  46  15.288 -15.503  -2.071
  355   3HD2  LEU  46          HD23      LEU  46  16.175 -14.345  -3.065
  356    HA   PRO  47           HA       PRO  47  12.704 -17.554   2.155
  357   1HB   PRO  47          HB2       PRO  47  13.464 -17.647   4.773
  358   2HB   PRO  47          HB1       PRO  47  14.456 -18.296   3.465
  359   1HG   PRO  47          HG2       PRO  47  14.728 -15.771   5.007
  360   2HG   PRO  47          HG1       PRO  47  15.987 -16.809   4.320
  361   1HD   PRO  47          HD2       PRO  47  15.127 -14.428   3.214
  362   2HD   PRO  47          HD1       PRO  47  15.934 -15.732   2.321
  363    H    HIS  48           HN       HIS  48  10.851 -16.262   1.880
  364    HA   HIS  48           HA       HIS  48   9.703 -15.113   4.289
  365   1HB   HIS  48          HB2       HIS  48   9.605 -14.294   1.615
  366   2HB   HIS  48          HB1       HIS  48   7.966 -14.852   1.971
  367    HD1  HIS  48           HD1      HIS  48  10.597 -12.671   3.627
  368    HD2  HIS  48           HD2      HIS  48   6.478 -12.982   3.221
  369    HE1  HIS  48           HE1      HIS  48   9.654 -10.706   4.874
  370    HE2  HIS  48           HE2      HIS  48   7.154 -10.991   4.725
  371    H    LEU  49           HN       LEU  49   7.022 -15.449   3.751
  372    HA   LEU  49           HA       LEU  49   6.643 -18.231   4.436
  373   1HB   LEU  49          HB2       LEU  49   5.267 -16.615   5.589
  374   2HB   LEU  49          HB1       LEU  49   4.728 -15.916   4.076
  375    HG   LEU  49           HG       LEU  49   3.541 -18.036   3.559
  376   1HD1  LEU  49          HD11      LEU  49   4.826 -19.608   4.827
  377   2HD1  LEU  49          HD12      LEU  49   3.175 -19.615   5.447
  378   3HD1  LEU  49          HD13      LEU  49   4.447 -18.777   6.335
  379   1HD2  LEU  49          HD21      LEU  49   2.808 -16.723   6.174
  380   2HD2  LEU  49          HD22      LEU  49   1.731 -17.705   5.182
  381   3HD2  LEU  49          HD23      LEU  49   2.346 -16.172   4.563
  382    H    LEU  50           HN       LEU  50   4.750 -16.268   2.176
  383    HA   LEU  50           HA       LEU  50   4.697 -18.419   0.232
  384   1HB   LEU  50          HB2       LEU  50   2.679 -17.069   0.794
  385   2HB   LEU  50          HB1       LEU  50   3.463 -15.667   0.093
  386    HG   LEU  50           HG       LEU  50   3.409 -16.648  -2.104
  387   1HD1  LEU  50          HD11      LEU  50   2.243 -19.094  -0.783
  388   2HD1  LEU  50          HD12      LEU  50   3.858 -18.962  -1.476
  389   3HD1  LEU  50          HD13      LEU  50   2.440 -18.848  -2.518
  390   1HD2  LEU  50          HD21      LEU  50   1.008 -16.818  -2.454
  391   2HD2  LEU  50          HD22      LEU  50   1.384 -15.508  -1.335
  392   3HD2  LEU  50          HD23      LEU  50   0.757 -17.039  -0.723
  393    H    LYS  51           HN       LYS  51   7.290 -17.329   0.630
  394    HA   LYS  51           HA       LYS  51   8.257 -15.304  -0.812
  395   1HB   LYS  51          HB2       LYS  51   9.668 -16.724   0.499
  396   2HB   LYS  51          HB1       LYS  51   9.392 -18.081  -0.575
  397   1HG   LYS  51          HG2       LYS  51  10.500 -16.702  -2.386
  398   2HG   LYS  51          HG1       LYS  51  11.009 -15.586  -1.098
  399   1HD   LYS  51          HD2       LYS  51  11.906 -17.722   0.063
  400   2HD   LYS  51          HD1       LYS  51  11.740 -18.489  -1.514
  401   1HE   LYS  51          HE2       LYS  51  13.384 -17.155  -2.469
  402   2HE   LYS  51          HE1       LYS  51  13.254 -15.918  -1.221
  403   1HZ   LYS  51          HZ1       LYS  51  15.272 -17.219  -0.978
  404   2HZ   LYS  51          HZ2       LYS  51  14.371 -18.645  -0.851
  405   3HZ   LYS  51          HZ3       LYS  51  14.251 -17.460   0.350
  406    H    ASP  52           HN       ASP  52   9.087 -14.959  -2.812
  407    HA   ASP  52           HA       ASP  52   7.863 -16.503  -4.991
  408   1HB   ASP  52          HB2       ASP  52   7.106 -14.179  -4.902
  409   2HB   ASP  52          HB1       ASP  52   8.773 -13.613  -4.921
  410    H    VAL  53           HN       VAL  53  10.798 -15.259  -3.646
  411    HA   VAL  53           HA       VAL  53  12.911 -16.052  -3.929
  412    HB   VAL  53           HB       VAL  53  11.745 -17.937  -5.341
  413   1HG1  VAL  53          HG11      VAL  53  11.838 -16.384  -7.433
  414   2HG1  VAL  53          HG12      VAL  53  12.228 -18.093  -7.592
  415   3HG1  VAL  53          HG13      VAL  53  13.521 -16.898  -7.503
  416   1HG2  VAL  53          HG21      VAL  53  13.799 -18.193  -4.128
  417   2HG2  VAL  53          HG22      VAL  53  14.686 -17.332  -5.385
  418   3HG2  VAL  53          HG23      VAL  53  13.969 -18.906  -5.732
  419    H    GLY  54           HN       GLY  54  13.603 -14.066  -3.839
  420   1HA   GLY  54          HA2       GLY  54  13.642 -12.323  -6.136
  421   2HA   GLY  54          HA1       GLY  54  14.334 -11.981  -4.555
  422    H    SER  55           HN       SER  55  14.878 -13.362  -7.697
  423    HA   SER  55           HA       SER  55  17.299 -14.631  -7.387
  424   1HB   SER  55          HB2       SER  55  17.690 -14.230  -9.733
  425   2HB   SER  55          HB1       SER  55  15.959 -14.481  -9.504
  426    HG   SER  55           HG       SER  55  16.649 -12.629 -10.847
  427    H    LEU  56           HN       LEU  56  19.354 -14.037  -7.023
  428    HA   LEU  56           HA       LEU  56  20.106 -11.786  -5.737
  429   1HB   LEU  56          HB2       LEU  56  22.410 -12.229  -6.439
  430   2HB   LEU  56          HB1       LEU  56  21.569 -13.692  -5.961
  431    HG   LEU  56           HG       LEU  56  21.120 -13.766  -8.617
  432   1HD1  LEU  56          HD11      LEU  56  22.944 -12.999  -9.877
  433   2HD1  LEU  56          HD12      LEU  56  23.913 -12.679  -8.439
  434   3HD1  LEU  56          HD13      LEU  56  22.530 -11.653  -8.816
  435   1HD2  LEU  56          HD21      LEU  56  22.027 -15.570  -7.254
  436   2HD2  LEU  56          HD22      LEU  56  23.591 -14.757  -7.202
  437   3HD2  LEU  56          HD23      LEU  56  22.965 -15.366  -8.734
  438    H    ASP  57           HN       ASP  57  20.194 -12.176  -9.272
  439    HA   ASP  57           HA       ASP  57  21.280  -9.643  -9.835
  440   1HB   ASP  57          HB2       ASP  57  19.946  -9.948 -12.039
  441   2HB   ASP  57          HB1       ASP  57  21.308 -11.019 -11.702
  442    H    GLU  58           HN       GLU  58  17.932 -10.765  -9.733
  443    HA   GLU  58           HA       GLU  58  16.572  -8.500 -10.467
  444   1HB   GLU  58          HB2       GLU  58  15.480 -10.650  -9.938
  445   2HB   GLU  58          HB1       GLU  58  15.824 -10.402  -8.230
  446   1HG   GLU  58          HG2       GLU  58  13.554  -9.828  -8.608
  447   2HG   GLU  58          HG1       GLU  58  14.451  -8.337  -8.322
  448    H    LYS  59           HN       LYS  59  17.807  -9.407  -7.307
  449    HA   LYS  59           HA       LYS  59  16.979  -7.169  -5.902
  450   1HB   LYS  59          HB2       LYS  59  19.183  -9.145  -5.529
  451   2HB   LYS  59          HB1       LYS  59  19.079  -7.758  -4.465
  452   1HG   LYS  59          HG2       LYS  59  17.713  -8.931  -3.197
  453   2HG   LYS  59          HG1       LYS  59  16.487  -8.871  -4.464
  454   1HD   LYS  59          HD2       LYS  59  16.742 -11.144  -4.016
  455   2HD   LYS  59          HD1       LYS  59  17.731 -10.893  -5.458
  456   1HE   LYS  59          HE2       LYS  59  19.734 -10.797  -4.114
  457   2HE   LYS  59          HE1       LYS  59  18.782 -10.902  -2.634
  458   1HZ   LYS  59          HZ1       LYS  59  19.019 -13.009  -4.712
  459   2HZ   LYS  59          HZ2       LYS  59  18.037 -13.105  -3.341
  460   3HZ   LYS  59          HZ3       LYS  59  19.718 -13.038  -3.171
  461    H    MET  60           HN       MET  60  19.704  -7.671  -8.002
  462    HA   MET  60           HA       MET  60  21.017  -5.252  -7.230
  463   1HB   MET  60          HB2       MET  60  21.531  -7.107  -9.559
  464   2HB   MET  60          HB1       MET  60  22.570  -5.769  -9.090
  465   1HG   MET  60          HG2       MET  60  22.749  -6.924  -6.827
  466   2HG   MET  60          HG1       MET  60  22.042  -8.327  -7.623
  467   1HE   MET  60          HE1       MET  60  23.221  -9.584  -9.717
  468   2HE   MET  60          HE2       MET  60  24.720  -9.007 -10.444
  469   3HE   MET  60          HE3       MET  60  23.258  -8.028 -10.547
  470    H    LYS  61           HN       LYS  61  18.833  -6.264  -9.768
  471    HA   LYS  61           HA       LYS  61  19.186  -3.864 -11.340
  472   1HB   LYS  61          HB2       LYS  61  16.718  -5.357 -11.832
  473   2HB   LYS  61          HB1       LYS  61  17.991  -4.892 -12.952
  474   1HG   LYS  61          HG2       LYS  61  19.337  -6.813 -12.076
  475   2HG   LYS  61          HG1       LYS  61  17.905  -7.303 -11.168
  476   1HD   LYS  61          HD2       LYS  61  18.040  -8.542 -13.250
  477   2HD   LYS  61          HD1       LYS  61  16.641  -7.468 -13.266
  478   1HE   LYS  61          HE2       LYS  61  17.857  -5.864 -14.622
  479   2HE   LYS  61          HE1       LYS  61  19.304  -6.868 -14.550
  480   1HZ   LYS  61          HZ1       LYS  61  18.134  -8.596 -15.749
  481   2HZ   LYS  61          HZ2       LYS  61  18.104  -7.155 -16.634
  482   3HZ   LYS  61          HZ3       LYS  61  16.725  -7.660 -15.793
  483    H    THR  62           HN       THR  62  16.435  -5.261  -9.571
  484    HA   THR  62           HA       THR  62  14.785  -3.040  -9.666
  485    HB   THR  62           HB       THR  62  15.008  -4.920  -7.308
  486    HG1  THR  62           HG1      THR  62  14.605  -5.753  -9.624
  487   1HG2  THR  62          HG21      THR  62  12.631  -4.380  -6.989
  488   2HG2  THR  62          HG22      THR  62  12.717  -3.241  -8.331
  489   3HG2  THR  62          HG23      THR  62  13.649  -2.946  -6.863
  490    H    LEU  63           HN       LEU  63  17.646  -3.645  -7.842
  491    HA   LEU  63           HA       LEU  63  17.620  -2.005  -5.700
  492   1HB   LEU  63          HB2       LEU  63  19.515  -3.397  -6.697
  493   2HB   LEU  63          HB1       LEU  63  19.873  -2.009  -7.704
  494    HG   LEU  63           HG       LEU  63  19.745  -1.535  -4.785
  495   1HD1  LEU  63          HD11      LEU  63  22.007  -3.023  -6.108
  496   2HD1  LEU  63          HD12      LEU  63  20.935  -3.642  -4.851
  497   3HD1  LEU  63          HD13      LEU  63  22.052  -2.325  -4.488
  498   1HD2  LEU  63          HD21      LEU  63  21.421   0.065  -5.265
  499   2HD2  LEU  63          HD22      LEU  63  20.261   0.172  -6.590
  500   3HD2  LEU  63          HD23      LEU  63  21.788  -0.680  -6.820
  501    H    ASP  64           HN       ASP  64  17.988  -1.063  -9.076
  502    HA   ASP  64           HA       ASP  64  18.120   1.755  -8.473
  503   1HB   ASP  64          HB2       ASP  64  19.252   0.640 -10.453
  504   2HB   ASP  64          HB1       ASP  64  17.651   0.470 -11.167
  505    H    VAL  65           HN       VAL  65  15.771  -0.570  -9.691
  506    HA   VAL  65           HA       VAL  65  13.706   1.136 -10.419
  507    HB   VAL  65           HB       VAL  65  13.468  -1.613  -9.172
  508   1HG1  VAL  65          HG11      VAL  65  11.352  -0.410  -9.098
  509   2HG1  VAL  65          HG12      VAL  65  11.288  -1.699 -10.300
  510   3HG1  VAL  65          HG13      VAL  65  11.493  -0.025 -10.814
  511   1HG2  VAL  65          HG21      VAL  65  13.623  -0.755 -12.062
  512   2HG2  VAL  65          HG22      VAL  65  13.322  -2.398 -11.494
  513   3HG2  VAL  65          HG23      VAL  65  14.869  -1.619 -11.159
  514    H    ASN  66           HN       ASN  66  14.093  -0.546  -7.287
  515    HA   ASN  66           HA       ASN  66  12.111   1.147  -6.033
  516   1HB   ASN  66          HB2       ASN  66  13.952  -0.954  -4.905
  517   2HB   ASN  66          HB1       ASN  66  12.746  -0.081  -3.964
  518   1HD2  ASN  66          HD21      ASN  66  10.647  -0.059  -5.811
  519   2HD2  ASN  66          HD22      ASN  66  10.091  -1.677  -6.041
  520    H    GLN  67           HN       GLN  67  14.425   2.598  -7.021
  521    HA   GLN  67           HA       GLN  67  16.360   3.106  -5.102
  522   1HB   GLN  67          HB2       GLN  67  16.643   3.859  -7.367
  523   2HB   GLN  67          HB1       GLN  67  15.161   4.766  -7.252
  524   1HG   GLN  67          HG2       GLN  67  16.496   5.920  -5.317
  525   2HG   GLN  67          HG1       GLN  67  17.835   5.504  -6.378
  526   1HE2  GLN  67          HE21      GLN  67  14.487   6.507  -6.831
  527   2HE2  GLN  67          HE22      GLN  67  14.851   7.897  -7.752
  528    H    ASP  68           HN       ASP  68  13.616   5.007  -6.036
  529    HA   ASP  68           HA       ASP  68  13.608   6.406  -3.482
  530   1HB   ASP  68          HB2       ASP  68  12.213   6.899  -6.095
  531   2HB   ASP  68          HB1       ASP  68  11.690   7.704  -4.618
  532    H    SER  69           HN       SER  69  12.705   3.521  -3.811
  533    HA   SER  69           HA       SER  69   9.986   3.160  -3.815
  534   1HB   SER  69          HB2       SER  69  12.257   1.712  -2.608
  535   2HB   SER  69          HB1       SER  69  10.696   1.428  -1.830
  536    HG   SER  69           HG       SER  69  10.029   1.186  -4.221
  537    H    GLU  70           HN       GLU  70  12.037   4.505  -1.417
  538    HA   GLU  70           HA       GLU  70   9.669   5.442   0.009
  539   1HB   GLU  70          HB2       GLU  70  10.514   3.951   1.631
  540   2HB   GLU  70          HB1       GLU  70  12.156   4.399   1.232
  541   1HG   GLU  70          HG2       GLU  70  11.760   6.672   2.150
  542   2HG   GLU  70          HG1       GLU  70  10.145   6.162   2.627
  543    H    LEU  71           HN       LEU  71   9.810   7.400   0.931
  544    HA   LEU  71           HA       LEU  71  12.166   8.897   0.532
  545   1HB   LEU  71          HB2       LEU  71  11.003  10.710  -0.640
  546   2HB   LEU  71          HB1       LEU  71  11.230   9.228  -1.561
  547    HG   LEU  71           HG       LEU  71   9.047  10.168  -1.878
  548   1HD1  LEU  71          HD11      LEU  71   9.609   7.587  -1.510
  549   2HD1  LEU  71          HD12      LEU  71   8.031   8.132  -1.986
  550   3HD1  LEU  71          HD13      LEU  71   8.355   7.801  -0.297
  551   1HD2  LEU  71          HD21      LEU  71   8.379   9.665   0.943
  552   2HD2  LEU  71          HD22      LEU  71   7.486  10.594  -0.260
  553   3HD2  LEU  71          HD23      LEU  71   8.993  11.219   0.393
  554    H    ARG  72           HN       ARG  72  11.977  11.114   1.246
  555    HA   ARG  72           HA       ARG  72  10.233  11.402   3.596
  556   1HB   ARG  72          HB2       ARG  72  12.700  13.024   3.276
  557   2HB   ARG  72          HB1       ARG  72  11.968  12.408   4.754
  558   1HG   ARG  72          HG2       ARG  72  13.653  10.937   2.775
  559   2HG   ARG  72          HG1       ARG  72  14.096  11.378   4.421
  560   1HD   ARG  72          HD2       ARG  72  11.732   9.649   3.858
  561   2HD   ARG  72          HD1       ARG  72  13.347   8.965   3.931
  562    HE   ARG  72           HE       ARG  72  13.279  10.265   6.235
  563   1HH1  ARG  72          HH11      ARG  72  10.838   8.236   4.776
  564   2HH1  ARG  72          HH12      ARG  72  10.165   7.748   6.294
  565   1HH2  ARG  72          HH21      ARG  72  12.393   9.614   8.228
  566   2HH2  ARG  72          HH22      ARG  72  11.045   8.526   8.249
  567    H    PHE  73           HN       PHE  73  10.703  12.349   0.446
  568    HA   PHE  73           HA       PHE  73   9.743  15.041   0.948
  569   1HB   PHE  73          HB2       PHE  73  10.996  15.876  -0.927
  570   2HB   PHE  73          HB1       PHE  73  12.070  15.022   0.161
  571    HD1  PHE  73           HD1      PHE  73  12.101  12.244  -0.698
  572    HD2  PHE  73           HD2      PHE  73  11.687  15.788  -3.041
  573    HE1  PHE  73           HE1      PHE  73  12.917  11.050  -2.670
  574    HE2  PHE  73           HE2      PHE  73  12.546  14.589  -4.995
  575    HZ   PHE  73           HZ       PHE  73  13.166  12.219  -4.815
  576    H    SER  74           HN       SER  74   9.673  14.571  -2.399
  577    HA   SER  74           HA       SER  74   6.849  13.963  -2.183
  578   1HB   SER  74          HB2       SER  74   6.877  14.841  -4.642
  579   2HB   SER  74          HB1       SER  74   6.930  15.982  -3.298
  580    HG   SER  74           HG       SER  74   9.072  15.075  -4.913
  581    H    GLU  75           HN       GLU  75   9.357  12.140  -2.670
  582    HA   GLU  75           HA       GLU  75   8.594  10.885  -5.125
  583   1HB   GLU  75          HB2       GLU  75  10.571  10.412  -2.978
  584   2HB   GLU  75          HB1       GLU  75  10.066   8.983  -3.865
  585   1HG   GLU  75          HG2       GLU  75  11.146  11.468  -5.140
  586   2HG   GLU  75          HG1       GLU  75  12.147  10.108  -4.627
  587    H    TYR  76           HN       TYR  76   7.046  10.973  -2.175
  588    HA   TYR  76           HA       TYR  76   6.410   8.521  -1.323
  589   1HB   TYR  76          HB2       TYR  76   4.961  11.042  -1.316
  590   2HB   TYR  76          HB1       TYR  76   3.936   9.623  -1.104
  591    HD1  TYR  76           HD1      TYR  76   6.380   8.117   0.368
  592    HD2  TYR  76           HD2      TYR  76   4.366  11.824   0.919
  593    HE1  TYR  76           HE1      TYR  76   7.122   8.135   2.639
  594    HE2  TYR  76           HE2      TYR  76   5.096  11.843   3.267
  595    HH   TYR  76           HH       TYR  76   7.491   9.769   4.473
  596    H    TRP  77           HN       TRP  77   5.459   9.682  -4.374
  597    HA   TRP  77           HA       TRP  77   3.360   7.874  -4.878
  598   1HB   TRP  77          HB2       TRP  77   3.873   8.187  -7.255
  599   2HB   TRP  77          HB1       TRP  77   3.938   9.735  -6.415
  600    HD1  TRP  77           HD1      TRP  77   6.444   6.956  -7.427
  601    HE1  TRP  77           HE1      TRP  77   8.657   8.082  -8.075
  602    HE3  TRP  77           HE3      TRP  77   5.159  11.797  -6.516
  603    HZ2  TRP  77           HZ2      TRP  77   9.715  10.711  -8.211
  604    HZ3  TRP  77           HZ3      TRP  77   6.813  13.563  -6.919
  605    HH2  TRP  77           HH2      TRP  77   9.048  13.033  -7.755
  606    H    ARG  78           HN       ARG  78   6.628   7.281  -4.174
  607    HA   ARG  78           HA       ARG  78   6.956   4.958  -5.806
  608   1HB   ARG  78          HB2       ARG  78   8.577   6.220  -3.601
  609   2HB   ARG  78          HB1       ARG  78   9.059   4.730  -4.410
  610   1HG   ARG  78          HG2       ARG  78   8.465   7.194  -5.986
  611   2HG   ARG  78          HG1       ARG  78  10.022   6.988  -5.195
  612   1HD   ARG  78          HD2       ARG  78  10.208   6.227  -7.454
  613   2HD   ARG  78          HD1       ARG  78  10.281   4.832  -6.382
  614    HE   ARG  78           HE       ARG  78   7.679   5.472  -7.499
  615   1HH1  ARG  78          HH11      ARG  78  10.582   3.544  -7.751
  616   2HH1  ARG  78          HH12      ARG  78   9.829   2.319  -8.712
  617   1HH2  ARG  78          HH21      ARG  78   6.697   3.864  -8.770
  618   2HH2  ARG  78          HH22      ARG  78   7.629   2.501  -9.293
  619    H    LEU  79           HN       LEU  79   6.440   5.637  -2.305
  620    HA   LEU  79           HA       LEU  79   6.327   3.046  -1.395
  621   1HB   LEU  79          HB2       LEU  79   4.100   4.745  -0.498
  622   2HB   LEU  79          HB1       LEU  79   5.186   3.756   0.428
  623    HG   LEU  79           HG       LEU  79   5.762   6.496  -0.691
  624   1HD1  LEU  79          HD11      LEU  79   6.163   6.577   1.987
  625   2HD1  LEU  79          HD12      LEU  79   4.881   5.372   1.906
  626   3HD1  LEU  79          HD13      LEU  79   4.627   6.977   1.223
  627   1HD2  LEU  79          HD21      LEU  79   7.738   5.730   1.115
  628   2HD2  LEU  79          HD22      LEU  79   7.895   5.919  -0.631
  629   3HD2  LEU  79          HD23      LEU  79   7.520   4.338   0.053
  630    H    ILE  80           HN       ILE  80   4.164   4.736  -3.469
  631    HA   ILE  80           HA       ILE  80   1.836   3.460  -3.257
  632    HB   ILE  80           HB       ILE  80   2.815   5.262  -4.965
  633   1HG1  ILE  80          HG12      ILE  80   0.358   3.563  -5.446
  634   2HG1  ILE  80          HG11      ILE  80   0.455   4.990  -4.418
  635   1HG2  ILE  80          HG21      ILE  80   2.569   2.770  -6.626
  636   2HG2  ILE  80          HG22      ILE  80   4.000   3.772  -6.396
  637   3HG2  ILE  80          HG23      ILE  80   2.612   4.409  -7.273
  638   1HD1  ILE  80          HD11      ILE  80   0.760   4.898  -7.410
  639   2HD1  ILE  80          HD12      ILE  80   0.981   6.338  -6.417
  640   3HD1  ILE  80          HD13      ILE  80  -0.598   5.558  -6.500
  641    H    GLY  81           HN       GLY  81   4.475   2.267  -5.332
  642   1HA   GLY  81          HA2       GLY  81   3.149  -0.285  -5.666
  643   2HA   GLY  81          HA1       GLY  81   4.716   0.168  -6.311
  644    H    GLU  82           HN       GLU  82   4.777   1.024  -3.150
  645    HA   GLU  82           HA       GLU  82   6.433  -1.239  -2.488
  646   1HB   GLU  82          HB2       GLU  82   5.764   1.261  -0.983
  647   2HB   GLU  82          HB1       GLU  82   6.860   0.027  -0.383
  648   1HG   GLU  82          HG2       GLU  82   7.232   1.724  -2.837
  649   2HG   GLU  82          HG1       GLU  82   8.176   1.787  -1.347
  650    H    LEU  83           HN       LEU  83   3.856   0.444  -0.705
  651    HA   LEU  83           HA       LEU  83   3.321  -1.435   1.205
  652   1HB   LEU  83          HB2       LEU  83   1.618   0.554  -0.221
  653   2HB   LEU  83          HB1       LEU  83   0.835  -0.610   0.832
  654    HG   LEU  83           HG       LEU  83   3.113   1.073   1.825
  655   1HD1  LEU  83          HD11      LEU  83   1.364   2.550   0.848
  656   2HD1  LEU  83          HD12      LEU  83   1.565   2.739   2.589
  657   3HD1  LEU  83          HD13      LEU  83   0.197   1.826   1.953
  658   1HD2  LEU  83          HD21      LEU  83   0.848  -0.458   3.073
  659   2HD2  LEU  83          HD22      LEU  83   1.802   0.726   3.965
  660   3HD2  LEU  83          HD23      LEU  83   2.583  -0.701   3.284
  661    H    ALA  84           HN       ALA  84   2.552  -1.506  -2.164
  662    HA   ALA  84           HA       ALA  84   0.726  -3.673  -2.000
  663   1HB   ALA  84          HB1       ALA  84   1.327  -3.809  -4.525
  664   2HB   ALA  84          HB2       ALA  84   2.164  -2.289  -4.215
  665   3HB   ALA  84          HB3       ALA  84   0.432  -2.421  -3.910
  666    H    LYS  85           HN       LYS  85   4.231  -3.444  -2.468
  667    HA   LYS  85           HA       LYS  85   4.954  -5.889  -3.432
  668   1HB   LYS  85          HB2       LYS  85   6.179  -4.522  -1.034
  669   2HB   LYS  85          HB1       LYS  85   6.941  -5.806  -1.961
  670   1HG   LYS  85          HG2       LYS  85   7.334  -4.444  -3.777
  671   2HG   LYS  85          HG1       LYS  85   6.072  -3.299  -3.320
  672   1HD   LYS  85          HD2       LYS  85   8.303  -2.377  -2.947
  673   2HD   LYS  85          HD1       LYS  85   7.405  -2.544  -1.438
  674   1HE   LYS  85          HE2       LYS  85   8.581  -4.788  -1.167
  675   2HE   LYS  85          HE1       LYS  85   9.658  -4.253  -2.452
  676   1HZ   LYS  85          HZ1       LYS  85  10.546  -3.789  -0.240
  677   2HZ   LYS  85          HZ2       LYS  85   9.212  -2.806   0.100
  678   3HZ   LYS  85          HZ3       LYS  85  10.296  -2.366  -1.120
  679    H    GLU  86           HN       GLU  86   3.600  -5.158  -0.365
  680    HA   GLU  86           HA       GLU  86   3.955  -7.779   0.736
  681   1HB   GLU  86          HB2       GLU  86   2.097  -5.699   1.795
  682   2HB   GLU  86          HB1       GLU  86   2.993  -6.916   2.681
  683   1HG   GLU  86          HG2       GLU  86   4.212  -4.570   1.266
  684   2HG   GLU  86          HG1       GLU  86   3.838  -4.636   2.973
  685    H    VAL  87           HN       VAL  87   1.352  -5.806  -0.537
  686    HA   VAL  87           HA       VAL  87  -0.565  -7.878  -0.173
  687    HB   VAL  87           HB       VAL  87  -0.981  -5.365  -1.775
  688   1HG1  VAL  87          HG11      VAL  87  -2.610  -7.544  -1.319
  689   2HG1  VAL  87          HG12      VAL  87  -3.134  -5.934  -1.810
  690   3HG1  VAL  87          HG13      VAL  87  -3.134  -6.380  -0.105
  691   1HG2  VAL  87          HG21      VAL  87  -1.146  -5.769   1.207
  692   2HG2  VAL  87          HG22      VAL  87  -1.817  -4.382   0.350
  693   3HG2  VAL  87          HG23      VAL  87  -0.077  -4.670   0.336
  694    H    ARG  88           HN       ARG  88   1.817  -7.663  -2.371
  695    HA   ARG  88           HA       ARG  88   0.292  -8.269  -4.739
  696   1HB   ARG  88          HB2       ARG  88   2.472  -7.062  -4.808
  697   2HB   ARG  88          HB1       ARG  88   3.265  -8.547  -4.294
  698   1HG   ARG  88          HG2       ARG  88   2.539  -9.674  -6.309
  699   2HG   ARG  88          HG1       ARG  88   1.652  -8.233  -6.813
  700   1HD   ARG  88          HD2       ARG  88   4.638  -8.423  -6.411
  701   2HD   ARG  88          HD1       ARG  88   3.809  -8.430  -7.967
  702    HE   ARG  88           HE       ARG  88   3.126  -6.123  -6.461
  703   1HH1  ARG  88          HH11      ARG  88   5.676  -7.520  -8.379
  704   2HH1  ARG  88          HH12      ARG  88   6.328  -5.990  -8.863
  705   1HH2  ARG  88          HH21      ARG  88   3.976  -4.103  -7.093
  706   2HH2  ARG  88          HH22      ARG  88   5.362  -4.047  -8.131
  707    H    LYS  89           HN       LYS  89   2.452 -10.112  -2.616
  708    HA   LYS  89           HA       LYS  89   1.740 -12.567  -3.960
  709   1HB   LYS  89          HB2       LYS  89   3.090 -13.689  -2.185
  710   2HB   LYS  89          HB1       LYS  89   3.972 -12.553  -3.168
  711   1HG   LYS  89          HG2       LYS  89   2.896 -11.822  -0.459
  712   2HG   LYS  89          HG1       LYS  89   4.435 -12.618  -0.663
  713   1HD   LYS  89          HD2       LYS  89   3.679  -9.815  -1.146
  714   2HD   LYS  89          HD1       LYS  89   5.221 -10.501  -0.657
  715   1HE   LYS  89          HE2       LYS  89   4.109 -10.375  -3.461
  716   2HE   LYS  89          HE1       LYS  89   5.435  -9.421  -2.813
  717   1HZ   LYS  89          HZ1       LYS  89   5.563 -11.921  -4.037
  718   2HZ   LYS  89          HZ2       LYS  89   6.019 -12.133  -2.422
  719   3HZ   LYS  89          HZ3       LYS  89   6.831 -11.008  -3.392
  720    H    GLU  90           HN       GLU  90   0.898 -10.757  -1.154
  721    HA   GLU  90           HA       GLU  90  -0.496 -12.682   0.275
  722   1HB   GLU  90          HB2       GLU  90  -0.601  -9.698   0.102
  723   2HB   GLU  90          HB1       GLU  90  -1.814 -10.558   1.053
  724   1HG   GLU  90          HG2       GLU  90  -0.028 -11.583   2.368
  725   2HG   GLU  90          HG1       GLU  90   1.170 -10.720   1.404
  726    H    LYS  91           HN       LYS  91  -1.220 -11.216  -2.752
  727    HA   LYS  91           HA       LYS  91  -3.987 -11.224  -2.773
  728   1HB   LYS  91          HB2       LYS  91  -3.921 -11.105  -5.078
  729   2HB   LYS  91          HB1       LYS  91  -2.382 -10.417  -4.592
  730   1HG   LYS  91          HG2       LYS  91  -1.219 -12.403  -5.211
  731   2HG   LYS  91          HG1       LYS  91  -2.736 -13.269  -5.476
  732   1HD   LYS  91          HD2       LYS  91  -3.300 -11.703  -7.287
  733   2HD   LYS  91          HD1       LYS  91  -1.758 -10.881  -7.040
  734   1HE   LYS  91          HE2       LYS  91  -0.565 -12.940  -7.605
  735   2HE   LYS  91          HE1       LYS  91  -2.103 -13.771  -7.835
  736   1HZ   LYS  91          HZ1       LYS  91  -1.156 -13.061  -9.939
  737   2HZ   LYS  91          HZ2       LYS  91  -1.139 -11.451  -9.420
  738   3HZ   LYS  91          HZ3       LYS  91  -2.613 -12.252  -9.643
  739    H    ALA  92           HN       ALA  92  -1.771 -13.822  -3.565
  740    HA   ALA  92           HA       ALA  92  -3.914 -15.754  -3.803
  741   1HB   ALA  92          HB1       ALA  92  -2.148 -17.372  -4.262
  742   2HB   ALA  92          HB2       ALA  92  -0.928 -16.177  -3.821
  743   3HB   ALA  92          HB3       ALA  92  -1.943 -15.919  -5.239
  744    H    LEU  93           HN       LEU  93  -1.859 -14.642  -1.266
  745    HA   LEU  93           HA       LEU  93  -2.191 -17.021   0.358
  746   1HB   LEU  93          HB2       LEU  93  -0.193 -15.497   0.505
  747   2HB   LEU  93          HB1       LEU  93  -1.248 -14.304   1.247
  748    HG   LEU  93           HG       LEU  93  -1.796 -16.422   2.814
  749   1HD1  LEU  93          HD11      LEU  93   0.303 -17.562   3.357
  750   2HD1  LEU  93          HD12      LEU  93   1.098 -16.735   2.017
  751   3HD1  LEU  93          HD13      LEU  93  -0.206 -17.880   1.698
  752   1HD2  LEU  93          HD21      LEU  93   0.528 -14.521   3.169
  753   2HD2  LEU  93          HD22      LEU  93  -0.288 -15.415   4.452
  754   3HD2  LEU  93          HD23      LEU  93  -1.159 -14.173   3.550
  755    H    GLY  94           HN       GLY  94  -3.761 -13.905   0.036
  756   1HA   GLY  94          HA2       GLY  94  -5.141 -13.631   2.373
  757   2HA   GLY  94          HA1       GLY  94  -5.846 -13.265   0.808
  758    H    ILE  95           HN       ILE  95  -5.844 -15.906  -0.197
  759    HA   ILE  95           HA       ILE  95  -8.307 -16.775   0.885
  760    HB   ILE  95           HB       ILE  95  -7.886 -18.823  -0.561
  761   1HG1  ILE  95          HG12      ILE  95  -5.673 -17.151  -1.713
  762   2HG1  ILE  95          HG11      ILE  95  -5.345 -18.397  -0.513
  763   1HG2  ILE  95          HG21      ILE  95  -8.214 -17.483  -2.638
  764   2HG2  ILE  95          HG22      ILE  95  -7.888 -16.059  -1.654
  765   3HG2  ILE  95          HG23      ILE  95  -9.285 -17.065  -1.297
  766   1HD1  ILE  95          HD11      ILE  95  -6.284 -20.080  -2.000
  767   2HD1  ILE  95          HD12      ILE  95  -4.970 -19.201  -2.781
  768   3HD1  ILE  95          HD13      ILE  95  -6.644 -18.833  -3.193
  769    H    ARG  96           HN       ARG  96  -7.211 -16.759   3.133
  770    HA   ARG  96           HA       ARG  96  -5.554 -18.892   3.881
  771   1HB   ARG  96          HB2       ARG  96  -5.759 -18.073   5.983
  772   2HB   ARG  96          HB1       ARG  96  -6.436 -16.699   5.141
  773   1HG   ARG  96          HG2       ARG  96  -7.979 -16.983   6.807
  774   2HG   ARG  96          HG1       ARG  96  -8.710 -17.926   5.510
  775   1HD   ARG  96          HD2       ARG  96  -7.796 -19.972   6.466
  776   2HD   ARG  96          HD1       ARG  96  -7.015 -19.040   7.741
  777    HE   ARG  96           HE       ARG  96  -9.715 -18.433   7.847
  778   1HH1  ARG  96          HH11      ARG  96  -7.689 -21.238   8.228
  779   2HH1  ARG  96          HH12      ARG  96  -8.758 -22.019   9.346
  780   1HH2  ARG  96          HH21      ARG  96 -11.131 -19.451   9.319
  781   2HH2  ARG  96          HH22      ARG  96 -10.715 -21.004   9.965
  782    H    LYS  97           HN       LYS  97  -8.898 -18.642   3.137
  783    HA   LYS  97           HA       LYS  97  -9.588 -21.230   4.210
  784   1HB   LYS  97          HB2       LYS  97 -11.660 -20.665   2.557
  785   2HB   LYS  97          HB1       LYS  97 -11.565 -20.125   4.221
  786   1HG   LYS  97          HG2       LYS  97 -10.449 -18.341   2.073
  787   2HG   LYS  97          HG1       LYS  97 -12.202 -18.473   2.293
  788   1HD   LYS  97          HD2       LYS  97 -11.764 -18.029   4.763
  789   2HD   LYS  97          HD1       LYS  97 -10.139 -17.548   4.264
  790   1HE   LYS  97          HE2       LYS  97 -11.153 -15.915   2.710
  791   2HE   LYS  97          HE1       LYS  97 -12.741 -16.344   3.340
  792   1HZ   LYS  97          HZ1       LYS  97 -11.806 -15.722   5.590
  793   2HZ   LYS  97          HZ2       LYS  97 -12.098 -14.449   4.521
  794   3HZ   LYS  97          HZ3       LYS  97 -10.519 -15.001   4.760
  795    H    LYS  98           HN       LYS  98  -8.006 -22.477   3.123
  796    HA   LYS  98           HA       LYS  98  -8.431 -22.781   0.230
  797   1HB   LYS  98          HB2       LYS  98  -6.084 -23.730   1.884
  798   2HB   LYS  98          HB1       LYS  98  -6.215 -23.767   0.131
  799   1HG   LYS  98          HG2       LYS  98  -6.361 -21.262   0.183
  800   2HG   LYS  98          HG1       LYS  98  -5.962 -21.340   1.902
  801   1HD   LYS  98          HD2       LYS  98  -3.876 -22.505   1.357
  802   2HD   LYS  98          HD1       LYS  98  -4.272 -22.403  -0.361
  803   1HE   LYS  98          HE2       LYS  98  -2.704 -20.651   0.268
  804   2HE   LYS  98          HE1       LYS  98  -4.253 -19.964  -0.219
  805   1HZ   LYS  98          HZ1       LYS  98  -4.833 -19.697   2.106
  806   2HZ   LYS  98          HZ2       LYS  98  -3.382 -18.896   1.770
  807   3HZ   LYS  98          HZ3       LYS  98  -3.361 -20.378   2.584
  808   1H    MET   1          HT1       MET   1  19.449  -4.454  -2.521
  809   2H    MET   1          HT2       MET   1  18.082  -3.463  -2.618
  810   3H    MET   1          HT3       MET   1  18.882  -3.940  -4.030
  811    HA   MET   1           HA       MET   1  18.289  -6.232  -3.639
  812   1HB   MET   1          HB2       MET   1  17.438  -5.067  -1.110
  813   2HB   MET   1          HB1       MET   1  16.284  -6.194  -1.770
  814   1HG   MET   1          HG2       MET   1  18.162  -6.957  -0.110
  815   2HG   MET   1          HG1       MET   1  17.696  -7.996  -1.452
  816   1HE   MET   1          HE1       MET   1  19.423  -9.419  -1.548
  817   2HE   MET   1          HE2       MET   1  21.117  -9.118  -1.929
  818   3HE   MET   1          HE3       MET   1  19.894  -8.990  -3.191
  819    H    ALA   2           HN       ALA   2  16.044  -7.107  -3.939
  820    HA   ALA   2           HA       ALA   2  14.453  -5.123  -5.397
  821   1HB   ALA   2          HB1       ALA   2  13.642  -7.011  -6.776
  822   2HB   ALA   2          HB2       ALA   2  14.748  -8.076  -5.908
  823   3HB   ALA   2          HB3       ALA   2  15.381  -6.764  -6.895
  824    H    ALA   3           HN       ALA   3  12.136  -5.499  -5.497
  825    HA   ALA   3           HA       ALA   3  11.049  -6.002  -2.918
  826   1HB   ALA   3          HB1       ALA   3   9.642  -5.702  -5.580
  827   2HB   ALA   3          HB2       ALA   3  10.045  -4.387  -4.477
  828   3HB   ALA   3          HB3       ALA   3   8.880  -5.619  -3.991
  829    H    GLU   4           HN       GLU   4  11.976  -8.167  -2.678
  830    HA   GLU   4           HA       GLU   4  11.076 -10.292  -4.322
  831   1HB   GLU   4          HB2       GLU   4  13.176 -10.165  -2.850
  832   2HB   GLU   4          HB1       GLU   4  12.124 -10.636  -1.517
  833   1HG   GLU   4          HG2       GLU   4  12.268 -12.208  -4.059
  834   2HG   GLU   4          HG1       GLU   4  13.416 -12.462  -2.748
  835    H    THR   5           HN       THR   5  10.463 -11.291  -1.073
  836    HA   THR   5           HA       THR   5   7.668 -11.412  -1.734
  837    HB   THR   5           HB       THR   5   8.596 -12.269   0.948
  838    HG1  THR   5           HG1      THR   5   9.218 -13.601  -1.489
  839   1HG2  THR   5          HG21      THR   5   6.827 -13.729   0.783
  840   2HG2  THR   5          HG22      THR   5   6.979 -13.877  -0.968
  841   3HG2  THR   5          HG23      THR   5   6.262 -12.430  -0.264
  842    H    LEU   6           HN       LEU   6   6.841 -11.262   1.173
  843    HA   LEU   6           HA       LEU   6   5.993  -8.580   1.153
  844   1HB   LEU   6          HB2       LEU   6   5.906 -10.735   3.251
  845   2HB   LEU   6          HB1       LEU   6   5.179  -9.167   3.463
  846    HG   LEU   6           HG       LEU   6   4.032  -9.934   1.130
  847   1HD1  LEU   6          HD11      LEU   6   4.347 -12.420   2.809
  848   2HD1  LEU   6          HD12      LEU   6   5.090 -12.141   1.236
  849   3HD1  LEU   6          HD13      LEU   6   3.338 -12.255   1.373
  850   1HD2  LEU   6          HD21      LEU   6   2.280 -10.901   2.976
  851   2HD2  LEU   6          HD22      LEU   6   2.470  -9.198   2.561
  852   3HD2  LEU   6          HD23      LEU   6   3.304  -9.862   3.966
  853    H    THR   7           HN       THR   7   7.436  -6.958   1.483
  854    HA   THR   7           HA       THR   7   9.661  -7.250   3.264
  855    HB   THR   7           HB       THR   7   9.006  -4.481   2.723
  856    HG1  THR   7           HG1      THR   7   7.995  -5.018   0.870
  857   1HG2  THR   7          HG21      THR   7  11.218  -4.953   1.274
  858   2HG2  THR   7          HG22      THR   7  11.269  -6.348   2.351
  859   3HG2  THR   7          HG23      THR   7  11.241  -4.718   3.023
  860    H    GLU   8           HN       GLU   8   9.962  -5.439   4.968
  861    HA   GLU   8           HA       GLU   8   8.429  -5.903   7.142
  862   1HB   GLU   8          HB2       GLU   8   9.393  -3.107   6.633
  863   2HB   GLU   8          HB1       GLU   8   9.320  -3.976   8.158
  864   1HG   GLU   8          HG2       GLU   8  11.251  -4.424   5.891
  865   2HG   GLU   8          HG1       GLU   8  11.602  -3.792   7.501
  866    H    LEU   9           HN       LEU   9   7.616  -3.821   4.493
  867    HA   LEU   9           HA       LEU   9   5.599  -2.268   5.553
  868   1HB   LEU   9          HB2       LEU   9   5.579  -3.459   2.806
  869   2HB   LEU   9          HB1       LEU   9   4.863  -1.951   3.310
  870    HG   LEU   9           HG       LEU   9   7.765  -2.605   2.898
  871   1HD1  LEU   9          HD11      LEU   9   7.737  -0.896   1.309
  872   2HD1  LEU   9          HD12      LEU   9   6.216  -0.238   1.909
  873   3HD1  LEU   9          HD13      LEU   9   6.233  -1.777   1.049
  874   1HD2  LEU   9          HD21      LEU   9   6.607  -0.725   4.812
  875   2HD2  LEU   9          HD22      LEU   9   7.767   0.000   3.703
  876   3HD2  LEU   9          HD23      LEU   9   8.244  -1.373   4.701
  877    H    GLU  10           HN       GLU  10   5.478  -5.689   4.789
  878    HA   GLU  10           HA       GLU  10   2.707  -6.010   4.437
  879   1HB   GLU  10          HB2       GLU  10   3.180  -8.296   5.639
  880   2HB   GLU  10          HB1       GLU  10   3.852  -7.981   4.042
  881   1HG   GLU  10          HG2       GLU  10   5.942  -8.107   4.793
  882   2HG   GLU  10          HG1       GLU  10   5.593  -7.101   6.193
  883    H    ALA  11           HN       ALA  11   4.666  -5.482   7.285
  884    HA   ALA  11           HA       ALA  11   2.793  -6.082   9.276
  885   1HB   ALA  11          HB1       ALA  11   4.741  -3.792   9.449
  886   2HB   ALA  11          HB2       ALA  11   5.258  -5.472   9.561
  887   3HB   ALA  11          HB3       ALA  11   4.137  -4.815  10.751
  888    H    ALA  12           HN       ALA  12   3.257  -3.347   7.171
  889    HA   ALA  12           HA       ALA  12   1.377  -1.619   8.422
  890   1HB   ALA  12          HB1       ALA  12   2.211  -1.511   5.532
  891   2HB   ALA  12          HB2       ALA  12   3.240  -0.938   6.843
  892   3HB   ALA  12          HB3       ALA  12   1.671  -0.184   6.562
  893    H    ILE  13           HN       ILE  13   1.215  -4.047   5.881
  894    HA   ILE  13           HA       ILE  13  -1.305  -3.515   4.875
  895    HB   ILE  13           HB       ILE  13   0.249  -6.068   5.131
  896   1HG1  ILE  13          HG12      ILE  13   0.375  -5.909   2.718
  897   2HG1  ILE  13          HG11      ILE  13  -0.812  -4.606   2.711
  898   1HG2  ILE  13          HG21      ILE  13  -2.047  -6.799   5.401
  899   2HG2  ILE  13          HG22      ILE  13  -1.464  -7.238   3.795
  900   3HG2  ILE  13          HG23      ILE  13  -2.538  -5.853   3.995
  901   1HD1  ILE  13          HD11      ILE  13   0.705  -3.075   3.657
  902   2HD1  ILE  13          HD12      ILE  13   1.579  -3.917   2.379
  903   3HD1  ILE  13          HD13      ILE  13   1.851  -4.347   4.066
  904    H    GLU  14           HN       GLU  14  -0.348  -4.707   7.963
  905    HA   GLU  14           HA       GLU  14  -2.764  -5.965   8.724
  906   1HB   GLU  14          HB2       GLU  14  -0.592  -4.739  10.431
  907   2HB   GLU  14          HB1       GLU  14  -1.867  -5.799  11.016
  908   1HG   GLU  14          HG2       GLU  14  -1.015  -7.600   9.595
  909   2HG   GLU  14          HG1       GLU  14   0.272  -6.536   9.031
  910    H    THR  15           HN       THR  15  -1.621  -2.610   8.911
  911    HA   THR  15           HA       THR  15  -3.686  -1.739  10.614
  912    HB   THR  15           HB       THR  15  -1.977  -0.159   8.706
  913    HG1  THR  15           HG1      THR  15  -0.904   0.368  10.779
  914   1HG2  THR  15          HG21      THR  15  -3.998   1.068   9.313
  915   2HG2  THR  15          HG22      THR  15  -2.585   1.788  10.082
  916   3HG2  THR  15          HG23      THR  15  -3.677   0.772  11.022
  917    H    VAL  16           HN       VAL  16  -3.049  -1.124   7.208
  918    HA   VAL  16           HA       VAL  16  -5.354   0.089   6.378
  919    HB   VAL  16           HB       VAL  16  -3.445  -0.259   4.919
  920   1HG1  VAL  16          HG11      VAL  16  -2.838  -2.397   4.016
  921   2HG1  VAL  16          HG12      VAL  16  -4.213  -3.172   4.801
  922   3HG1  VAL  16          HG13      VAL  16  -2.892  -2.526   5.774
  923   1HG2  VAL  16          HG21      VAL  16  -5.238   0.172   3.556
  924   2HG2  VAL  16          HG22      VAL  16  -6.097  -1.293   4.010
  925   3HG2  VAL  16          HG23      VAL  16  -4.718  -1.379   2.915
  926    H    VAL  17           HN       VAL  17  -4.835  -3.427   6.619
  927    HA   VAL  17           HA       VAL  17  -7.411  -4.132   5.724
  928    HB   VAL  17           HB       VAL  17  -5.545  -5.741   5.826
  929   1HG1  VAL  17          HG11      VAL  17  -5.998  -5.613   8.804
  930   2HG1  VAL  17          HG12      VAL  17  -4.558  -5.087   7.935
  931   3HG1  VAL  17          HG13      VAL  17  -4.984  -6.796   7.979
  932   1HG2  VAL  17          HG21      VAL  17  -7.965  -6.553   7.433
  933   2HG2  VAL  17          HG22      VAL  17  -6.852  -7.650   6.615
  934   3HG2  VAL  17          HG23      VAL  17  -7.847  -6.538   5.674
  935    H    SER  18           HN       SER  18  -6.042  -3.307   8.821
  936    HA   SER  18           HA       SER  18  -8.419  -3.937  10.330
  937   1HB   SER  18          HB2       SER  18  -5.858  -2.555  11.151
  938   2HB   SER  18          HB1       SER  18  -7.138  -3.063  12.252
  939    HG   SER  18           HG       SER  18  -6.766  -5.230  11.410
  940    H    THR  19           HN       THR  19  -7.428  -1.285   8.471
  941    HA   THR  19           HA       THR  19  -8.797   0.668  10.108
  942    HB   THR  19           HB       THR  19  -8.221   2.305   8.322
  943    HG1  THR  19           HG1      THR  19  -7.468  -0.022   7.025
  944   1HG2  THR  19          HG21      THR  19  -6.734   2.150  10.163
  945   2HG2  THR  19          HG22      THR  19  -5.732   2.169   8.711
  946   3HG2  THR  19          HG23      THR  19  -6.030   0.653   9.557
  947    H    PHE  20           HN       PHE  20  -9.151   0.826   6.637
  948    HA   PHE  20           HA       PHE  20 -12.013   1.153   6.984
  949   1HB   PHE  20          HB2       PHE  20 -11.685   2.635   5.345
  950   2HB   PHE  20          HB1       PHE  20 -10.033   2.084   5.163
  951    HD1  PHE  20           HD1      PHE  20  -9.438   1.699   3.020
  952    HD2  PHE  20           HD2      PHE  20 -13.415   0.759   4.195
  953    HE1  PHE  20           HE1      PHE  20  -9.926   0.959   0.732
  954    HE2  PHE  20           HE2      PHE  20 -13.903   0.015   1.892
  955    HZ   PHE  20           HZ       PHE  20 -12.163   0.112   0.168
  956    H    PHE  21           HN       PHE  21  -9.824  -1.156   5.756
  957    HA   PHE  21           HA       PHE  21 -11.579  -2.750   4.379
  958   1HB   PHE  21          HB2       PHE  21  -9.041  -3.284   5.895
  959   2HB   PHE  21          HB1       PHE  21  -9.831  -4.566   5.016
  960    HD1  PHE  21           HD1      PHE  21  -7.561  -4.706   3.900
  961    HD2  PHE  21           HD2      PHE  21 -10.149  -1.350   3.474
  962    HE1  PHE  21           HE1      PHE  21  -6.289  -3.982   1.940
  963    HE2  PHE  21           HE2      PHE  21  -8.871  -0.639   1.500
  964    HZ   PHE  21           HZ       PHE  21  -6.948  -1.949   0.723
  965    H    THR  22           HN       THR  22 -11.362  -2.107   7.736
  966    HA   THR  22           HA       THR  22 -12.398  -4.454   8.815
  967    HB   THR  22           HB       THR  22 -13.231  -3.116  10.659
  968    HG1  THR  22           HG1      THR  22 -13.859  -1.348   9.020
  969   1HG2  THR  22          HG21      THR  22 -10.604  -2.218   9.517
  970   2HG2  THR  22          HG22      THR  22 -10.886  -3.534  10.659
  971   3HG2  THR  22          HG23      THR  22 -11.136  -1.861  11.161
  972    H    PHE  23           HN       PHE  23 -13.845  -2.096   6.792
  973    HA   PHE  23           HA       PHE  23 -16.551  -2.533   7.426
  974   1HB   PHE  23          HB2       PHE  23 -16.678  -0.725   6.142
  975   2HB   PHE  23          HB1       PHE  23 -15.015  -0.940   5.645
  976    HD1  PHE  23           HD1      PHE  23 -18.190  -2.734   4.730
  977    HD2  PHE  23           HD2      PHE  23 -14.794  -0.526   3.481
  978    HE1  PHE  23           HE1      PHE  23 -18.929  -2.941   2.418
  979    HE2  PHE  23           HE2      PHE  23 -15.527  -0.732   1.159
  980    HZ   PHE  23           HZ       PHE  23 -17.611  -1.912   0.638
  981    H    ALA  24           HN       ALA  24 -14.268  -4.365   5.602
  982    HA   ALA  24           HA       ALA  24 -15.796  -5.835   3.847
  983   1HB   ALA  24          HB1       ALA  24 -13.355  -6.301   5.328
  984   2HB   ALA  24          HB2       ALA  24 -13.787  -6.849   3.712
  985   3HB   ALA  24          HB3       ALA  24 -14.264  -7.788   5.121
  986    H    GLY  25           HN       GLY  25 -15.623  -6.168   7.326
  987   1HA   GLY  25          HA2       GLY  25 -17.017  -8.516   7.715
  988   2HA   GLY  25          HA1       GLY  25 -17.117  -7.127   8.811
  989    H    ARG  26           HN       ARG  26 -18.196  -5.467   6.536
  990    HA   ARG  26           HA       ARG  26 -20.874  -5.419   6.957
  991   1HB   ARG  26          HB2       ARG  26 -19.900  -3.753   5.545
  992   2HB   ARG  26          HB1       ARG  26 -19.307  -4.956   4.408
  993   1HG   ARG  26          HG2       ARG  26 -21.095  -4.022   3.289
  994   2HG   ARG  26          HG1       ARG  26 -21.815  -5.464   4.004
  995   1HD   ARG  26          HD2       ARG  26 -21.939  -2.693   5.171
  996   2HD   ARG  26          HD1       ARG  26 -23.230  -3.461   4.249
  997    HE   ARG  26           HE       ARG  26 -22.683  -5.202   6.293
  998   1HH1  ARG  26          HH11      ARG  26 -23.642  -1.862   6.052
  999   2HH1  ARG  26          HH12      ARG  26 -24.513  -1.870   7.550
 1000   1HH2  ARG  26          HH21      ARG  26 -23.824  -5.224   8.266
 1001   2HH2  ARG  26          HH22      ARG  26 -24.615  -3.781   8.810
 1002    H    GLU  27           HN       GLU  27 -19.380  -7.064   4.218
 1003    HA   GLU  27           HA       GLU  27 -21.053  -9.415   4.665
 1004   1HB   GLU  27          HB2       GLU  27 -21.660  -9.488   2.230
 1005   2HB   GLU  27          HB1       GLU  27 -22.432  -8.187   3.126
 1006   1HG   GLU  27          HG2       GLU  27 -20.637  -6.661   2.279
 1007   2HG   GLU  27          HG1       GLU  27 -20.106  -7.978   1.234
 1008    H    GLY  28           HN       GLY  28 -19.092 -10.371   5.272
 1009   1HA   GLY  28          HA2       GLY  28 -17.534 -11.332   3.025
 1010   2HA   GLY  28          HA1       GLY  28 -16.646 -10.362   4.187
 1011    H    ARG  29           HN       ARG  29 -19.090 -12.982   4.464
 1012    HA   ARG  29           HA       ARG  29 -18.180 -14.065   6.809
 1013   1HB   ARG  29          HB2       ARG  29 -20.184 -14.945   5.874
 1014   2HB   ARG  29          HB1       ARG  29 -19.370 -15.415   4.388
 1015   1HG   ARG  29          HG2       ARG  29 -19.969 -17.287   5.952
 1016   2HG   ARG  29          HG1       ARG  29 -18.278 -17.226   5.445
 1017   1HD   ARG  29          HD2       ARG  29 -18.554 -17.694   7.858
 1018   2HD   ARG  29          HD1       ARG  29 -17.639 -16.220   7.540
 1019    HE   ARG  29           HE       ARG  29 -20.400 -15.654   7.899
 1020   1HH1  ARG  29          HH11      ARG  29 -17.492 -16.459   9.639
 1021   2HH1  ARG  29          HH12      ARG  29 -18.004 -15.695  11.106
 1022   1HH2  ARG  29          HH21      ARG  29 -21.083 -14.644   9.827
 1023   2HH2  ARG  29          HH22      ARG  29 -20.046 -14.662  11.214
 1024    H    LYS  30           HN       LYS  30 -17.303 -15.314   3.611
 1025    HA   LYS  30           HA       LYS  30 -14.556 -15.704   4.516
 1026   1HB   LYS  30          HB2       LYS  30 -16.297 -17.859   3.298
 1027   2HB   LYS  30          HB1       LYS  30 -14.548 -17.976   3.431
 1028   1HG   LYS  30          HG2       LYS  30 -16.418 -17.647   5.766
 1029   2HG   LYS  30          HG1       LYS  30 -15.761 -19.186   5.209
 1030   1HD   LYS  30          HD2       LYS  30 -13.489 -18.345   5.613
 1031   2HD   LYS  30          HD1       LYS  30 -14.166 -16.823   6.198
 1032   1HE   LYS  30          HE2       LYS  30 -13.555 -18.304   8.048
 1033   2HE   LYS  30          HE1       LYS  30 -15.292 -18.003   8.005
 1034   1HZ   LYS  30          HZ1       LYS  30 -13.947 -20.431   6.949
 1035   2HZ   LYS  30          HZ2       LYS  30 -15.614 -20.144   6.953
 1036   3HZ   LYS  30          HZ3       LYS  30 -14.786 -20.335   8.416
 1037    H    GLY  31           HN       GLY  31 -15.431 -13.657   2.915
 1038   1HA   GLY  31          HA2       GLY  31 -14.239 -14.401   0.327
 1039   2HA   GLY  31          HA1       GLY  31 -15.817 -13.620   0.331
 1040    H    SER  32           HN       SER  32 -15.886 -11.442   0.361
 1041    HA   SER  32           HA       SER  32 -13.476 -10.038   1.165
 1042   1HB   SER  32          HB2       SER  32 -13.534  -8.733  -0.994
 1043   2HB   SER  32          HB1       SER  32 -12.989 -10.397  -1.078
 1044    HG   SER  32           HG       SER  32 -15.095 -10.968  -1.784
 1045    H    LEU  33           HN       LEU  33 -13.703  -7.639   0.582
 1046    HA   LEU  33           HA       LEU  33 -16.066  -6.642   1.934
 1047   1HB   LEU  33          HB2       LEU  33 -14.377  -5.344   2.784
 1048   2HB   LEU  33          HB1       LEU  33 -13.342  -5.716   1.445
 1049    HG   LEU  33           HG       LEU  33 -15.546  -3.680   1.184
 1050   1HD1  LEU  33          HD11      LEU  33 -14.244  -2.944   3.089
 1051   2HD1  LEU  33          HD12      LEU  33 -13.906  -1.920   1.695
 1052   3HD1  LEU  33          HD13      LEU  33 -12.752  -3.131   2.186
 1053   1HD2  LEU  33          HD21      LEU  33 -14.599  -3.120  -0.783
 1054   2HD2  LEU  33          HD22      LEU  33 -13.950  -4.755  -0.700
 1055   3HD2  LEU  33          HD23      LEU  33 -12.964  -3.385  -0.197
 1056    H    ASN  34           HN       ASN  34 -17.350  -4.830   0.907
 1057    HA   ASN  34           HA       ASN  34 -17.156  -5.131  -2.002
 1058   1HB   ASN  34          HB2       ASN  34 -19.081  -6.259  -0.598
 1059   2HB   ASN  34          HB1       ASN  34 -19.772  -4.642  -0.621
 1060   1HD2  ASN  34          HD21      ASN  34 -21.510  -5.200  -1.882
 1061   2HD2  ASN  34          HD22      ASN  34 -21.368  -5.637  -3.548
 1062    H    ILE  35           HN       ILE  35 -19.554  -3.191  -1.847
 1063    HA   ILE  35           HA       ILE  35 -18.005  -0.767  -1.352
 1064    HB   ILE  35           HB       ILE  35 -19.546   0.173  -3.312
 1065   1HG1  ILE  35          HG12      ILE  35 -20.484  -2.122  -3.738
 1066   2HG1  ILE  35          HG11      ILE  35 -19.741  -1.364  -5.140
 1067   1HG2  ILE  35          HG21      ILE  35 -17.600   0.479  -4.432
 1068   2HG2  ILE  35          HG22      ILE  35 -17.074  -1.189  -4.212
 1069   3HG2  ILE  35          HG23      ILE  35 -16.943  -0.041  -2.880
 1070   1HD1  ILE  35          HD11      ILE  35 -19.235  -3.886  -4.138
 1071   2HD1  ILE  35          HD12      ILE  35 -17.823  -2.933  -3.689
 1072   3HD1  ILE  35          HD13      ILE  35 -18.324  -3.033  -5.378
 1073    H    ASN  36           HN       ASN  36 -19.989  -2.077   0.282
 1074    HA   ASN  36           HA       ASN  36 -22.337  -0.406   0.171
 1075   1HB   ASN  36          HB2       ASN  36 -22.549  -2.731   0.961
 1076   2HB   ASN  36          HB1       ASN  36 -21.428  -2.390   2.275
 1077   1HD2  ASN  36          HD21      ASN  36 -24.631  -1.884   1.032
 1078   2HD2  ASN  36          HD22      ASN  36 -25.323  -1.281   2.496
 1079    H    GLU  37           HN       GLU  37 -20.007  -1.059   2.796
 1080    HA   GLU  37           HA       GLU  37 -20.436   1.584   3.817
 1081   1HB   GLU  37          HB2       GLU  37 -18.122  -0.055   4.681
 1082   2HB   GLU  37          HB1       GLU  37 -19.132   1.014   5.623
 1083   1HG   GLU  37          HG2       GLU  37 -20.983  -0.612   5.352
 1084   2HG   GLU  37          HG1       GLU  37 -19.832  -1.734   4.615
 1085    H    PHE  38           HN       PHE  38 -18.366   0.278   1.399
 1086    HA   PHE  38           HA       PHE  38 -16.127   1.895   1.580
 1087   1HB   PHE  38          HB2       PHE  38 -16.598   0.096  -0.174
 1088   2HB   PHE  38          HB1       PHE  38 -17.572   1.292  -1.011
 1089    HD1  PHE  38           HD1      PHE  38 -16.367   3.542  -1.530
 1090    HD2  PHE  38           HD2      PHE  38 -14.383  -0.118  -0.692
 1091    HE1  PHE  38           HE1      PHE  38 -14.356   4.381  -2.680
 1092    HE2  PHE  38           HE2      PHE  38 -12.362   0.706  -1.836
 1093    HZ   PHE  38           HZ       PHE  38 -12.348   2.960  -2.832
 1094    H    LYS  39           HN       LYS  39 -19.399   2.528   0.688
 1095    HA   LYS  39           HA       LYS  39 -19.160   5.000  -0.534
 1096   1HB   LYS  39          HB2       LYS  39 -21.362   3.875   1.154
 1097   2HB   LYS  39          HB1       LYS  39 -21.522   5.307   0.139
 1098   1HG   LYS  39          HG2       LYS  39 -21.297   4.077  -1.821
 1099   2HG   LYS  39          HG1       LYS  39 -20.583   2.702  -0.969
 1100   1HD   LYS  39          HD2       LYS  39 -22.639   1.995  -0.143
 1101   2HD   LYS  39          HD1       LYS  39 -23.377   3.583  -0.354
 1102   1HE   LYS  39          HE2       LYS  39 -23.315   3.284  -2.782
 1103   2HE   LYS  39          HE1       LYS  39 -22.568   1.700  -2.570
 1104   1HZ   LYS  39          HZ1       LYS  39 -24.557   0.974  -1.390
 1105   2HZ   LYS  39          HZ2       LYS  39 -24.934   1.494  -2.954
 1106   3HZ   LYS  39          HZ3       LYS  39 -25.273   2.488  -1.629
 1107    H    GLU  40           HN       GLU  40 -18.578   4.127   2.680
 1108    HA   GLU  40           HA       GLU  40 -18.940   6.744   3.780
 1109   1HB   GLU  40          HB2       GLU  40 -18.606   5.791   5.839
 1110   2HB   GLU  40          HB1       GLU  40 -19.114   4.358   4.955
 1111   1HG   GLU  40          HG2       GLU  40 -16.879   3.567   4.799
 1112   2HG   GLU  40          HG1       GLU  40 -16.224   5.098   5.365
 1113    H    LEU  41           HN       LEU  41 -16.715   5.424   1.708
 1114    HA   LEU  41           HA       LEU  41 -14.306   6.450   2.892
 1115   1HB   LEU  41          HB2       LEU  41 -14.822   5.360   0.135
 1116   2HB   LEU  41          HB1       LEU  41 -13.247   5.737   0.793
 1117    HG   LEU  41           HG       LEU  41 -14.983   3.411   1.214
 1118   1HD1  LEU  41          HD11      LEU  41 -13.223   2.361   0.429
 1119   2HD1  LEU  41          HD12      LEU  41 -12.189   3.036   1.688
 1120   3HD1  LEU  41          HD13      LEU  41 -12.459   3.932   0.192
 1121   1HD2  LEU  41          HD21      LEU  41 -13.190   4.437   3.410
 1122   2HD2  LEU  41          HD22      LEU  41 -13.958   2.850   3.374
 1123   3HD2  LEU  41          HD23      LEU  41 -14.947   4.306   3.483
 1124    H    ALA  42           HN       ALA  42 -15.196   6.999  -0.487
 1125    HA   ALA  42           HA       ALA  42 -14.026   9.446  -0.730
 1126   1HB   ALA  42          HB1       ALA  42 -16.099   9.786  -2.410
 1127   2HB   ALA  42          HB2       ALA  42 -16.036   8.036  -2.245
 1128   3HB   ALA  42          HB3       ALA  42 -14.617   8.913  -2.782
 1129    H    THR  43           HN       THR  43 -17.074   8.671   0.697
 1130    HA   THR  43           HA       THR  43 -18.278  11.147   0.739
 1131    HB   THR  43           HB       THR  43 -19.252  10.295   3.003
 1132    HG1  THR  43           HG1      THR  43 -18.281   7.833   1.980
 1133   1HG2  THR  43          HG21      THR  43 -20.523  10.319   0.948
 1134   2HG2  THR  43          HG22      THR  43 -20.763   8.769   1.755
 1135   3HG2  THR  43          HG23      THR  43 -19.680   8.882   0.372
 1136    H    GLN  44           HN       GLN  44 -16.322   9.648   3.289
 1137    HA   GLN  44           HA       GLN  44 -15.926  12.165   4.683
 1138   1HB   GLN  44          HB2       GLN  44 -16.160  10.173   6.027
 1139   2HB   GLN  44          HB1       GLN  44 -14.901   9.340   5.114
 1140   1HG   GLN  44          HG2       GLN  44 -13.239  10.900   6.001
 1141   2HG   GLN  44          HG1       GLN  44 -14.501  11.743   6.898
 1142   1HE2  GLN  44          HE21      GLN  44 -15.422  10.760   8.698
 1143   2HE2  GLN  44          HE22      GLN  44 -14.681   9.415   9.489
 1144    H    GLN  45           HN       GLN  45 -14.131  10.069   2.504
 1145    HA   GLN  45           HA       GLN  45 -11.592  11.179   2.851
 1146   1HB   GLN  45          HB2       GLN  45 -12.911  10.100   0.393
 1147   2HB   GLN  45          HB1       GLN  45 -11.198  10.419   0.519
 1148   1HG   GLN  45          HG2       GLN  45 -10.988   8.685   2.191
 1149   2HG   GLN  45          HG1       GLN  45 -12.730   8.400   2.153
 1150   1HE2  GLN  45          HE21      GLN  45  -9.783   7.485   0.899
 1151   2HE2  GLN  45          HE22      GLN  45 -10.359   6.564  -0.443
 1152    H    LEU  46           HN       LEU  46 -14.505  12.177   1.159
 1153    HA   LEU  46           HA       LEU  46 -13.708  14.034  -0.628
 1154   1HB   LEU  46          HB2       LEU  46 -16.070  13.896   1.141
 1155   2HB   LEU  46          HB1       LEU  46 -15.718  15.465   0.460
 1156    HG   LEU  46           HG       LEU  46 -16.395  12.943  -1.037
 1157   1HD1  LEU  46          HD11      LEU  46 -18.185  14.414  -1.938
 1158   2HD1  LEU  46          HD12      LEU  46 -17.694  15.639  -0.770
 1159   3HD1  LEU  46          HD13      LEU  46 -18.315  14.087  -0.211
 1160   1HD2  LEU  46          HD21      LEU  46 -14.649  13.919  -2.303
 1161   2HD2  LEU  46          HD22      LEU  46 -15.289  15.544  -2.058
 1162   3HD2  LEU  46          HD23      LEU  46 -16.162  14.394  -3.073
 1163    HA   PRO  47           HA       PRO  47 -12.675  17.523   2.130
 1164   1HB   PRO  47          HB2       PRO  47 -13.486  17.722   4.719
 1165   2HB   PRO  47          HB1       PRO  47 -14.473  18.310   3.377
 1166   1HG   PRO  47          HG2       PRO  47 -14.722  15.822   4.996
 1167   2HG   PRO  47          HG1       PRO  47 -15.993  16.837   4.297
 1168   1HD   PRO  47          HD2       PRO  47 -15.130  14.447   3.226
 1169   2HD   PRO  47          HD1       PRO  47 -15.932  15.735   2.309
 1170    H    HIS  48           HN       HIS  48 -10.872  16.330   1.915
 1171    HA   HIS  48           HA       HIS  48  -9.725  15.143   4.291
 1172   1HB   HIS  48          HB2       HIS  48  -9.688  14.493   1.558
 1173   2HB   HIS  48          HB1       HIS  48  -8.034  15.016   1.978
 1174    HD1  HIS  48           HD1      HIS  48 -10.660  12.729   3.521
 1175    HD2  HIS  48           HD2      HIS  48  -6.539  13.065   3.138
 1176    HE1  HIS  48           HE1      HIS  48  -9.711  10.738   4.724
 1177    HE2  HIS  48           HE2      HIS  48  -7.221  11.079   4.649
 1178    H    LEU  49           HN       LEU  49  -7.071  15.488   3.725
 1179    HA   LEU  49           HA       LEU  49  -6.653  18.260   4.419
 1180   1HB   LEU  49          HB2       LEU  49  -5.285  16.623   5.561
 1181   2HB   LEU  49          HB1       LEU  49  -4.758  15.929   4.042
 1182    HG   LEU  49           HG       LEU  49  -3.561  18.041   3.528
 1183   1HD1  LEU  49          HD11      LEU  49  -4.839  19.615   4.799
 1184   2HD1  LEU  49          HD12      LEU  49  -3.184  19.620   5.411
 1185   3HD1  LEU  49          HD13      LEU  49  -4.454  18.784   6.306
 1186   1HD2  LEU  49          HD21      LEU  49  -2.823  16.725   6.141
 1187   2HD2  LEU  49          HD22      LEU  49  -1.747  17.707   5.146
 1188   3HD2  LEU  49          HD23      LEU  49  -2.366  16.176   4.528
 1189    H    LEU  50           HN       LEU  50  -4.816  16.266   2.146
 1190    HA   LEU  50           HA       LEU  50  -4.748  18.421   0.196
 1191   1HB   LEU  50          HB2       LEU  50  -2.720  17.078   0.769
 1192   2HB   LEU  50          HB1       LEU  50  -3.498  15.674   0.067
 1193    HG   LEU  50           HG       LEU  50  -3.447  16.659  -2.131
 1194   1HD1  LEU  50          HD11      LEU  50  -2.274  19.101  -0.811
 1195   2HD1  LEU  50          HD12      LEU  50  -3.892  18.974  -1.501
 1196   3HD1  LEU  50          HD13      LEU  50  -2.475  18.857  -2.546
 1197   1HD2  LEU  50          HD21      LEU  50  -1.046  16.824  -2.483
 1198   2HD2  LEU  50          HD22      LEU  50  -1.424  15.514  -1.364
 1199   3HD2  LEU  50          HD23      LEU  50  -0.794  17.043  -0.751
 1200    H    LYS  51           HN       LYS  51  -7.336  17.313   0.612
 1201    HA   LYS  51           HA       LYS  51  -8.274  15.265  -0.812
 1202   1HB   LYS  51          HB2       LYS  51  -9.744  16.582   0.469
 1203   2HB   LYS  51          HB1       LYS  51  -9.437  18.016  -0.491
 1204   1HG   LYS  51          HG2       LYS  51 -10.513  16.742  -2.411
 1205   2HG   LYS  51          HG1       LYS  51 -11.067  15.582  -1.182
 1206   1HD   LYS  51          HD2       LYS  51 -11.910  17.727   0.046
 1207   2HD   LYS  51          HD1       LYS  51 -11.777  18.485  -1.539
 1208   1HE   LYS  51          HE2       LYS  51 -13.428  17.134  -2.455
 1209   2HE   LYS  51          HE1       LYS  51 -13.275  15.913  -1.194
 1210   1HZ   LYS  51          HZ1       LYS  51 -15.297  17.219  -0.950
 1211   2HZ   LYS  51          HZ2       LYS  51 -14.390  18.642  -0.835
 1212   3HZ   LYS  51          HZ3       LYS  51 -14.264  17.462   0.369
 1213    H    ASP  52           HN       ASP  52  -9.235  14.960  -2.817
 1214    HA   ASP  52           HA       ASP  52  -7.930  16.478  -4.980
 1215   1HB   ASP  52          HB2       ASP  52  -7.173  14.155  -4.897
 1216   2HB   ASP  52          HB1       ASP  52  -8.840  13.588  -4.934
 1217    H    VAL  53           HN       VAL  53 -10.885  15.303  -3.620
 1218    HA   VAL  53           HA       VAL  53 -12.968  16.117  -3.950
 1219    HB   VAL  53           HB       VAL  53 -11.773  17.968  -5.375
 1220   1HG1  VAL  53          HG11      VAL  53 -11.891  16.380  -7.452
 1221   2HG1  VAL  53          HG12      VAL  53 -12.235  18.098  -7.629
 1222   3HG1  VAL  53          HG13      VAL  53 -13.559  16.940  -7.531
 1223   1HG2  VAL  53          HG21      VAL  53 -13.824  18.253  -4.167
 1224   2HG2  VAL  53          HG22      VAL  53 -14.719  17.385  -5.415
 1225   3HG2  VAL  53          HG23      VAL  53 -13.991  18.951  -5.779
 1226    H    GLY  54           HN       GLY  54 -13.445  14.070  -3.795
 1227   1HA   GLY  54          HA2       GLY  54 -13.655  12.282  -6.027
 1228   2HA   GLY  54          HA1       GLY  54 -14.354  12.033  -4.436
 1229    H    SER  55           HN       SER  55 -14.871  13.344  -7.628
 1230    HA   SER  55           HA       SER  55 -17.301  14.616  -7.333
 1231   1HB   SER  55          HB2       SER  55 -17.612  14.312  -9.677
 1232   2HB   SER  55          HB1       SER  55 -15.871  14.437  -9.407
 1233    HG   SER  55           HG       SER  55 -16.690  12.663 -10.812
 1234    H    LEU  56           HN       LEU  56 -19.355  14.014  -7.012
 1235    HA   LEU  56           HA       LEU  56 -20.098  11.747  -5.752
 1236   1HB   LEU  56          HB2       LEU  56 -22.406  12.202  -6.426
 1237   2HB   LEU  56          HB1       LEU  56 -21.563  13.663  -5.951
 1238    HG   LEU  56           HG       LEU  56 -21.141  13.751  -8.611
 1239   1HD1  LEU  56          HD11      LEU  56 -22.970  12.981  -9.861
 1240   2HD1  LEU  56          HD12      LEU  56 -23.928  12.654  -8.418
 1241   3HD1  LEU  56          HD13      LEU  56 -22.546  11.632  -8.807
 1242   1HD2  LEU  56          HD21      LEU  56 -22.048  15.543  -7.232
 1243   2HD2  LEU  56          HD22      LEU  56 -23.609  14.725  -7.177
 1244   3HD2  LEU  56          HD23      LEU  56 -22.992  15.343  -8.709
 1245    H    ASP  57           HN       ASP  57 -20.211  12.165  -9.285
 1246    HA   ASP  57           HA       ASP  57 -21.299   9.649  -9.845
 1247   1HB   ASP  57          HB2       ASP  57 -19.975   9.936 -12.053
 1248   2HB   ASP  57          HB1       ASP  57 -21.339  11.004 -11.717
 1249    H    GLU  58           HN       GLU  58 -18.029  10.730  -9.711
 1250    HA   GLU  58           HA       GLU  58 -16.624   8.495 -10.477
 1251   1HB   GLU  58          HB2       GLU  58 -15.556  10.650  -9.940
 1252   2HB   GLU  58          HB1       GLU  58 -15.922  10.406  -8.233
 1253   1HG   GLU  58          HG2       GLU  58 -13.632   9.856  -8.592
 1254   2HG   GLU  58          HG1       GLU  58 -14.514   8.357  -8.299
 1255    H    LYS  59           HN       LYS  59 -17.881   9.371  -7.323
 1256    HA   LYS  59           HA       LYS  59 -17.027   7.121  -5.936
 1257   1HB   LYS  59          HB2       LYS  59 -19.202   9.125  -5.512
 1258   2HB   LYS  59          HB1       LYS  59 -19.049   7.749  -4.426
 1259   1HG   LYS  59          HG2       LYS  59 -17.492   8.832  -3.300
 1260   2HG   LYS  59          HG1       LYS  59 -16.476   8.858  -4.732
 1261   1HD   LYS  59          HD2       LYS  59 -16.717  11.115  -4.024
 1262   2HD   LYS  59          HD1       LYS  59 -17.706  10.911  -5.467
 1263   1HE   LYS  59          HE2       LYS  59 -19.705  10.716  -4.107
 1264   2HE   LYS  59          HE1       LYS  59 -18.737  10.822  -2.636
 1265   1HZ   LYS  59          HZ1       LYS  59 -19.029  12.954  -4.686
 1266   2HZ   LYS  59          HZ2       LYS  59 -18.057  13.054  -3.306
 1267   3HZ   LYS  59          HZ3       LYS  59 -19.738  12.946  -3.149
 1268    H    MET  60           HN       MET  60 -19.723   7.653  -8.036
 1269    HA   MET  60           HA       MET  60 -21.074   5.225  -7.235
 1270   1HB   MET  60          HB2       MET  60 -21.582   7.087  -9.567
 1271   2HB   MET  60          HB1       MET  60 -22.628   5.757  -9.088
 1272   1HG   MET  60          HG2       MET  60 -22.788   6.916  -6.828
 1273   2HG   MET  60          HG1       MET  60 -22.069   8.313  -7.626
 1274   1HE   MET  60          HE1       MET  60 -23.242   9.577  -9.718
 1275   2HE   MET  60          HE2       MET  60 -24.748   9.011 -10.441
 1276   3HE   MET  60          HE3       MET  60 -23.294   8.018 -10.543
 1277    H    LYS  61           HN       LYS  61 -18.879   6.231  -9.769
 1278    HA   LYS  61           HA       LYS  61 -19.237   3.816 -11.323
 1279   1HB   LYS  61          HB2       LYS  61 -16.789   5.284 -11.896
 1280   2HB   LYS  61          HB1       LYS  61 -18.118   4.848 -12.957
 1281   1HG   LYS  61          HG2       LYS  61 -19.383   6.797 -12.067
 1282   2HG   LYS  61          HG1       LYS  61 -17.940   7.244 -11.151
 1283   1HD   LYS  61          HD2       LYS  61 -18.072   8.516 -13.227
 1284   2HD   LYS  61          HD1       LYS  61 -16.679   7.434 -13.248
 1285   1HE   LYS  61          HE2       LYS  61 -17.900   5.845 -14.616
 1286   2HE   LYS  61          HE1       LYS  61 -19.341   6.859 -14.542
 1287   1HZ   LYS  61          HZ1       LYS  61 -18.158   8.585 -15.732
 1288   2HZ   LYS  61          HZ2       LYS  61 -18.133   7.148 -16.623
 1289   3HZ   LYS  61          HZ3       LYS  61 -16.755   7.642 -15.777
 1290    H    THR  62           HN       THR  62 -16.468   5.246  -9.607
 1291    HA   THR  62           HA       THR  62 -14.811   3.035  -9.691
 1292    HB   THR  62           HB       THR  62 -15.040   4.950  -7.365
 1293    HG1  THR  62           HG1      THR  62 -14.721   6.006  -9.399
 1294   1HG2  THR  62          HG21      THR  62 -12.687   4.408  -6.982
 1295   2HG2  THR  62          HG22      THR  62 -12.720   3.283  -8.339
 1296   3HG2  THR  62          HG23      THR  62 -13.685   2.956  -6.901
 1297    H    LEU  63           HN       LEU  63 -17.662   3.630  -7.847
 1298    HA   LEU  63           HA       LEU  63 -17.617   1.992  -5.703
 1299   1HB   LEU  63          HB2       LEU  63 -19.518   3.373  -6.694
 1300   2HB   LEU  63          HB1       LEU  63 -19.874   1.990  -7.705
 1301    HG   LEU  63           HG       LEU  63 -19.746   1.500  -4.793
 1302   1HD1  LEU  63          HD11      LEU  63 -22.006   3.007  -6.095
 1303   2HD1  LEU  63          HD12      LEU  63 -20.924   3.618  -4.844
 1304   3HD1  LEU  63          HD13      LEU  63 -22.043   2.305  -4.478
 1305   1HD2  LEU  63          HD21      LEU  63 -21.442  -0.080  -5.276
 1306   2HD2  LEU  63          HD22      LEU  63 -20.275  -0.196  -6.594
 1307   3HD2  LEU  63          HD23      LEU  63 -21.792   0.670  -6.833
 1308    H    ASP  64           HN       ASP  64 -17.978   1.049  -9.077
 1309    HA   ASP  64           HA       ASP  64 -18.115  -1.769  -8.479
 1310   1HB   ASP  64          HB2       ASP  64 -19.222  -0.617 -10.456
 1311   2HB   ASP  64          HB1       ASP  64 -17.621  -0.491 -11.169
 1312    H    VAL  65           HN       VAL  65 -15.768   0.544  -9.713
 1313    HA   VAL  65           HA       VAL  65 -13.704  -1.160 -10.447
 1314    HB   VAL  65           HB       VAL  65 -13.464   1.585  -9.201
 1315   1HG1  VAL  65          HG11      VAL  65 -11.345   0.398  -9.163
 1316   2HG1  VAL  65          HG12      VAL  65 -11.304   1.691 -10.361
 1317   3HG1  VAL  65          HG13      VAL  65 -11.508   0.017 -10.877
 1318   1HG2  VAL  65          HG21      VAL  65 -13.666   0.748 -12.093
 1319   2HG2  VAL  65          HG22      VAL  65 -13.358   2.387 -11.520
 1320   3HG2  VAL  65          HG23      VAL  65 -14.898   1.603 -11.162
 1321    H    ASN  66           HN       ASN  66 -14.160   0.484  -7.317
 1322    HA   ASN  66           HA       ASN  66 -12.069  -1.081  -6.083
 1323   1HB   ASN  66          HB2       ASN  66 -13.994   0.952  -4.987
 1324   2HB   ASN  66          HB1       ASN  66 -12.801   0.114  -4.004
 1325   1HD2  ASN  66          HD21      ASN  66 -10.646   0.108  -5.803
 1326   2HD2  ASN  66          HD22      ASN  66 -10.114   1.733  -6.026
 1327    H    GLN  67           HN       GLN  67 -14.755  -2.267  -7.036
 1328    HA   GLN  67           HA       GLN  67 -16.404  -3.120  -5.102
 1329   1HB   GLN  67          HB2       GLN  67 -16.614  -3.785  -7.425
 1330   2HB   GLN  67          HB1       GLN  67 -15.160  -4.763  -7.302
 1331   1HG   GLN  67          HG2       GLN  67 -16.721  -5.799  -5.315
 1332   2HG   GLN  67          HG1       GLN  67 -17.911  -5.361  -6.543
 1333   1HE2  GLN  67          HE21      GLN  67 -14.574  -6.514  -6.900
 1334   2HE2  GLN  67          HE22      GLN  67 -14.979  -7.925  -7.806
 1335    H    ASP  68           HN       ASP  68 -13.638  -5.068  -6.076
 1336    HA   ASP  68           HA       ASP  68 -13.644  -6.425  -3.516
 1337   1HB   ASP  68          HB2       ASP  68 -12.218  -6.919  -6.115
 1338   2HB   ASP  68          HB1       ASP  68 -11.732  -7.740  -4.636
 1339    H    SER  69           HN       SER  69 -12.678  -3.522  -3.946
 1340    HA   SER  69           HA       SER  69  -9.975  -3.209  -3.854
 1341   1HB   SER  69          HB2       SER  69 -12.225  -1.775  -2.549
 1342   2HB   SER  69          HB1       SER  69 -10.620  -1.467  -1.888
 1343    HG   SER  69           HG       SER  69 -10.076  -1.175  -4.263
 1344    H    GLU  70           HN       GLU  70 -12.044  -4.548  -1.442
 1345    HA   GLU  70           HA       GLU  70  -9.670  -5.464  -0.016
 1346   1HB   GLU  70          HB2       GLU  70 -10.521  -3.946   1.587
 1347   2HB   GLU  70          HB1       GLU  70 -12.160  -4.426   1.212
 1348   1HG   GLU  70          HG2       GLU  70 -11.701  -6.683   2.151
 1349   2HG   GLU  70          HG1       GLU  70 -10.106  -6.121   2.623
 1350    H    LEU  71           HN       LEU  71  -9.808  -7.415   0.906
 1351    HA   LEU  71           HA       LEU  71 -12.170  -8.906   0.521
 1352   1HB   LEU  71          HB2       LEU  71 -11.015 -10.735  -0.644
 1353   2HB   LEU  71          HB1       LEU  71 -11.244  -9.262  -1.577
 1354    HG   LEU  71           HG       LEU  71  -9.060 -10.227  -1.892
 1355   1HD1  LEU  71          HD11      LEU  71  -9.653  -7.628  -1.554
 1356   2HD1  LEU  71          HD12      LEU  71  -8.072  -8.155  -2.038
 1357   3HD1  LEU  71          HD13      LEU  71  -8.386  -7.812  -0.354
 1358   1HD2  LEU  71          HD21      LEU  71  -8.379  -9.644   0.917
 1359   2HD2  LEU  71          HD22      LEU  71  -7.494 -10.602  -0.270
 1360   3HD2  LEU  71          HD23      LEU  71  -8.993 -11.212   0.408
 1361    H    ARG  72           HN       ARG  72 -11.971 -11.118   1.245
 1362    HA   ARG  72           HA       ARG  72 -10.197 -11.392   3.568
 1363   1HB   ARG  72          HB2       ARG  72 -12.663 -13.029   3.352
 1364   2HB   ARG  72          HB1       ARG  72 -11.912 -12.340   4.783
 1365   1HG   ARG  72          HG2       ARG  72 -13.636 -10.936   2.781
 1366   2HG   ARG  72          HG1       ARG  72 -14.071 -11.365   4.433
 1367   1HD   ARG  72          HD2       ARG  72 -11.717  -9.626   3.855
 1368   2HD   ARG  72          HD1       ARG  72 -13.340  -8.953   3.926
 1369    HE   ARG  72           HE       ARG  72 -13.267 -10.236   6.233
 1370   1HH1  ARG  72          HH11      ARG  72 -10.819  -8.216   4.768
 1371   2HH1  ARG  72          HH12      ARG  72 -10.140  -7.734   6.284
 1372   1HH2  ARG  72          HH21      ARG  72 -12.371  -9.598   8.219
 1373   2HH2  ARG  72          HH22      ARG  72 -11.018  -8.515   8.240
 1374    H    PHE  73           HN       PHE  73 -10.622 -12.311   0.419
 1375    HA   PHE  73           HA       PHE  73  -9.744 -15.017   0.965
 1376   1HB   PHE  73          HB2       PHE  73 -11.061 -15.887  -0.832
 1377   2HB   PHE  73          HB1       PHE  73 -12.086 -14.946   0.214
 1378    HD1  PHE  73           HD1      PHE  73 -12.122 -12.253  -0.703
 1379    HD2  PHE  73           HD2      PHE  73 -11.663 -15.820  -3.003
 1380    HE1  PHE  73           HE1      PHE  73 -12.916 -11.078  -2.706
 1381    HE2  PHE  73           HE2      PHE  73 -12.494 -14.643  -4.985
 1382    HZ   PHE  73           HZ       PHE  73 -13.124 -12.273  -4.840
 1383    H    SER  74           HN       SER  74  -9.726 -14.001  -2.435
 1384    HA   SER  74           HA       SER  74  -6.831 -13.942  -2.193
 1385   1HB   SER  74          HB2       SER  74  -6.983 -14.796  -4.695
 1386   2HB   SER  74          HB1       SER  74  -6.963 -15.923  -3.341
 1387    HG   SER  74           HG       SER  74  -9.118 -15.104  -4.953
 1388    H    GLU  75           HN       GLU  75  -9.383 -12.118  -2.839
 1389    HA   GLU  75           HA       GLU  75  -8.588 -10.789  -5.216
 1390   1HB   GLU  75          HB2       GLU  75 -10.541 -10.411  -3.016
 1391   2HB   GLU  75          HB1       GLU  75 -10.080  -8.953  -3.890
 1392   1HG   GLU  75          HG2       GLU  75 -11.162 -11.445  -5.153
 1393   2HG   GLU  75          HG1       GLU  75 -12.147 -10.073  -4.643
 1394    H    TYR  76           HN       TYR  76  -7.063 -10.963  -2.212
 1395    HA   TYR  76           HA       TYR  76  -6.485  -8.567  -1.313
 1396   1HB   TYR  76          HB2       TYR  76  -4.966 -11.029  -1.316
 1397   2HB   TYR  76          HB1       TYR  76  -3.969  -9.594  -1.096
 1398    HD1  TYR  76           HD1      TYR  76  -6.382  -8.100   0.401
 1399    HD2  TYR  76           HD2      TYR  76  -4.437 -11.850   0.890
 1400    HE1  TYR  76           HE1      TYR  76  -7.114  -8.149   2.705
 1401    HE2  TYR  76           HE2      TYR  76  -5.158 -11.905   3.231
 1402    HH   TYR  76           HH       TYR  76  -7.493  -9.781   4.496
 1403    H    TRP  77           HN       TRP  77  -5.379  -9.653  -4.361
 1404    HA   TRP  77           HA       TRP  77  -3.339  -7.761  -4.867
 1405   1HB   TRP  77          HB2       TRP  77  -3.847  -8.128  -7.237
 1406   2HB   TRP  77          HB1       TRP  77  -3.901  -9.668  -6.378
 1407    HD1  TRP  77           HD1      TRP  77  -6.457  -6.912  -7.372
 1408    HE1  TRP  77           HE1      TRP  77  -8.625  -8.075  -8.064
 1409    HE3  TRP  77           HE3      TRP  77  -5.103 -11.754  -6.500
 1410    HZ2  TRP  77           HZ2      TRP  77  -9.662 -10.710  -8.215
 1411    HZ3  TRP  77           HZ3      TRP  77  -6.737 -13.537  -6.920
 1412    HH2  TRP  77           HH2      TRP  77  -8.971 -13.028  -7.763
 1413    H    ARG  78           HN       ARG  78  -6.678  -7.309  -4.359
 1414    HA   ARG  78           HA       ARG  78  -6.999  -4.971  -5.834
 1415   1HB   ARG  78          HB2       ARG  78  -8.573  -6.257  -3.623
 1416   2HB   ARG  78          HB1       ARG  78  -9.074  -4.754  -4.391
 1417   1HG   ARG  78          HG2       ARG  78  -8.529  -7.212  -6.000
 1418   2HG   ARG  78          HG1       ARG  78 -10.075  -6.953  -5.199
 1419   1HD   ARG  78          HD2       ARG  78 -10.242  -6.204  -7.466
 1420   2HD   ARG  78          HD1       ARG  78 -10.299  -4.810  -6.392
 1421    HE   ARG  78           HE       ARG  78  -7.707  -5.472  -7.518
 1422   1HH1  ARG  78          HH11      ARG  78 -10.599  -3.532  -7.769
 1423   2HH1  ARG  78          HH12      ARG  78  -9.841  -2.309  -8.731
 1424   1HH2  ARG  78          HH21      ARG  78  -6.714  -3.867  -8.787
 1425   2HH2  ARG  78          HH22      ARG  78  -7.639  -2.501  -9.312
 1426    H    LEU  79           HN       LEU  79  -6.295  -5.649  -2.391
 1427    HA   LEU  79           HA       LEU  79  -6.283  -3.016  -1.482
 1428   1HB   LEU  79          HB2       LEU  79  -4.101  -4.751  -0.552
 1429   2HB   LEU  79          HB1       LEU  79  -5.169  -3.738   0.376
 1430    HG   LEU  79           HG       LEU  79  -5.770  -6.482  -0.732
 1431   1HD1  LEU  79          HD11      LEU  79  -6.153  -6.594   1.930
 1432   2HD1  LEU  79          HD12      LEU  79  -4.906  -5.347   1.877
 1433   3HD1  LEU  79          HD13      LEU  79  -4.598  -6.935   1.173
 1434   1HD2  LEU  79          HD21      LEU  79  -7.735  -5.716   1.073
 1435   2HD2  LEU  79          HD22      LEU  79  -7.896  -5.868  -0.677
 1436   3HD2  LEU  79          HD23      LEU  79  -7.506  -4.305   0.040
 1437    H    ILE  80           HN       ILE  80  -4.138  -4.734  -3.526
 1438    HA   ILE  80           HA       ILE  80  -1.746  -3.515  -3.310
 1439    HB   ILE  80           HB       ILE  80  -2.798  -5.298  -5.033
 1440   1HG1  ILE  80          HG12      ILE  80  -0.330  -3.593  -5.512
 1441   2HG1  ILE  80          HG11      ILE  80  -0.431  -5.034  -4.503
 1442   1HG2  ILE  80          HG21      ILE  80  -2.525  -2.758  -6.668
 1443   2HG2  ILE  80          HG22      ILE  80  -3.980  -3.724  -6.438
 1444   3HG2  ILE  80          HG23      ILE  80  -2.621  -4.384  -7.343
 1445   1HD1  ILE  80          HD11      ILE  80  -0.759  -4.902  -7.489
 1446   2HD1  ILE  80          HD12      ILE  80  -0.976  -6.354  -6.511
 1447   3HD1  ILE  80          HD13      ILE  80   0.604  -5.578  -6.598
 1448    H    GLY  81           HN       GLY  81  -4.446  -2.269  -5.301
 1449   1HA   GLY  81          HA2       GLY  81  -3.103   0.271  -5.679
 1450   2HA   GLY  81          HA1       GLY  81  -4.681  -0.181  -6.305
 1451    H    GLU  82           HN       GLU  82  -4.867  -1.008  -3.163
 1452    HA   GLU  82           HA       GLU  82  -6.450   1.274  -2.501
 1453   1HB   GLU  82          HB2       GLU  82  -5.779  -1.200  -1.001
 1454   2HB   GLU  82          HB1       GLU  82  -6.893   0.017  -0.409
 1455   1HG   GLU  82          HG2       GLU  82  -7.215  -1.713  -2.846
 1456   2HG   GLU  82          HG1       GLU  82  -8.168  -1.764  -1.363
 1457    H    LEU  83           HN       LEU  83  -3.838  -0.424  -0.809
 1458    HA   LEU  83           HA       LEU  83  -3.345   1.430   1.165
 1459   1HB   LEU  83          HB2       LEU  83  -1.645  -0.572  -0.247
 1460   2HB   LEU  83          HB1       LEU  83  -0.857   0.595   0.797
 1461    HG   LEU  83           HG       LEU  83  -3.132  -1.080   1.803
 1462   1HD1  LEU  83          HD11      LEU  83  -1.372  -2.552   0.829
 1463   2HD1  LEU  83          HD12      LEU  83  -1.582  -2.740   2.569
 1464   3HD1  LEU  83          HD13      LEU  83  -0.213  -1.822   1.940
 1465   1HD2  LEU  83          HD21      LEU  83  -0.870   0.460   3.047
 1466   2HD2  LEU  83          HD22      LEU  83  -1.832  -0.713   3.944
 1467   3HD2  LEU  83          HD23      LEU  83  -2.603   0.712   3.246
 1468    H    ALA  84           HN       ALA  84  -2.609   1.465  -2.200
 1469    HA   ALA  84           HA       ALA  84  -0.759   3.614  -2.043
 1470   1HB   ALA  84          HB1       ALA  84  -1.354   3.774  -4.560
 1471   2HB   ALA  84          HB2       ALA  84  -2.218   2.267  -4.259
 1472   3HB   ALA  84          HB3       ALA  84  -0.483   2.365  -3.954
 1473    H    LYS  85           HN       LYS  85  -4.265   3.421  -2.473
 1474    HA   LYS  85           HA       LYS  85  -4.951   5.868  -3.443
 1475   1HB   LYS  85          HB2       LYS  85  -6.230   4.561  -1.058
 1476   2HB   LYS  85          HB1       LYS  85  -6.956   5.827  -2.029
 1477   1HG   LYS  85          HG2       LYS  85  -7.347   4.419  -3.811
 1478   2HG   LYS  85          HG1       LYS  85  -6.107   3.268  -3.309
 1479   1HD   LYS  85          HD2       LYS  85  -8.428   2.449  -2.948
 1480   2HD   LYS  85          HD1       LYS  85  -7.466   2.522  -1.471
 1481   1HE   LYS  85          HE2       LYS  85  -8.501   4.787  -1.068
 1482   2HE   LYS  85          HE1       LYS  85  -9.629   4.400  -2.365
 1483   1HZ   LYS  85          HZ1       LYS  85 -10.561   3.847  -0.215
 1484   2HZ   LYS  85          HZ2       LYS  85  -9.254   2.829   0.124
 1485   3HZ   LYS  85          HZ3       LYS  85 -10.324   2.440  -1.127
 1486    H    GLU  86           HN       GLU  86  -3.586   5.158  -0.401
 1487    HA   GLU  86           HA       GLU  86  -3.940   7.793   0.682
 1488   1HB   GLU  86          HB2       GLU  86  -2.064   5.746   1.751
 1489   2HB   GLU  86          HB1       GLU  86  -2.965   6.965   2.630
 1490   1HG   GLU  86          HG2       GLU  86  -4.179   4.566   1.282
 1491   2HG   GLU  86          HG1       GLU  86  -3.799   4.688   2.988
 1492    H    VAL  87           HN       VAL  87  -1.339   5.812  -0.584
 1493    HA   VAL  87           HA       VAL  87   0.625   7.862  -0.254
 1494    HB   VAL  87           HB       VAL  87   0.984   5.350  -1.857
 1495   1HG1  VAL  87          HG11      VAL  87   2.622   7.503  -1.399
 1496   2HG1  VAL  87          HG12      VAL  87   3.154   5.881  -1.837
 1497   3HG1  VAL  87          HG13      VAL  87   3.112   6.370  -0.143
 1498   1HG2  VAL  87          HG21      VAL  87   1.127   5.738   1.132
 1499   2HG2  VAL  87          HG22      VAL  87   1.796   4.350   0.275
 1500   3HG2  VAL  87          HG23      VAL  87   0.058   4.648   0.247
 1501    H    ARG  88           HN       ARG  88  -1.795   7.675  -2.440
 1502    HA   ARG  88           HA       ARG  88  -0.286   8.275  -4.826
 1503   1HB   ARG  88          HB2       ARG  88  -2.463   7.066  -4.877
 1504   2HB   ARG  88          HB1       ARG  88  -3.255   8.541  -4.338
 1505   1HG   ARG  88          HG2       ARG  88  -2.574   9.687  -6.359
 1506   2HG   ARG  88          HG1       ARG  88  -1.694   8.255  -6.897
 1507   1HD   ARG  88          HD2       ARG  88  -4.668   8.432  -6.425
 1508   2HD   ARG  88          HD1       ARG  88  -3.871   8.443  -7.997
 1509    HE   ARG  88           HE       ARG  88  -3.159   6.138  -6.495
 1510   1HH1  ARG  88          HH11      ARG  88  -5.715   7.526  -8.409
 1511   2HH1  ARG  88          HH12      ARG  88  -6.362   5.995  -8.893
 1512   1HH2  ARG  88          HH21      ARG  88  -4.004   4.113  -7.127
 1513   2HH2  ARG  88          HH22      ARG  88  -5.390   4.054  -8.164
 1514    H    LYS  89           HN       LYS  89  -2.430  10.110  -2.679
 1515    HA   LYS  89           HA       LYS  89  -1.815  12.597  -4.015
 1516   1HB   LYS  89          HB2       LYS  89  -3.047  13.605  -2.055
 1517   2HB   LYS  89          HB1       LYS  89  -3.978  12.523  -3.060
 1518   1HG   LYS  89          HG2       LYS  89  -2.615  11.427  -0.604
 1519   2HG   LYS  89          HG1       LYS  89  -4.082  12.415  -0.436
 1520   1HD   LYS  89          HD2       LYS  89  -3.817   9.640  -1.153
 1521   2HD   LYS  89          HD1       LYS  89  -5.251  10.542  -0.696
 1522   1HE   LYS  89          HE2       LYS  89  -4.111  10.422  -3.496
 1523   2HE   LYS  89          HE1       LYS  89  -5.426   9.417  -2.905
 1524   1HZ   LYS  89          HZ1       LYS  89  -5.582  11.956  -4.015
 1525   2HZ   LYS  89          HZ2       LYS  89  -6.010  12.122  -2.388
 1526   3HZ   LYS  89          HZ3       LYS  89  -6.842  11.028  -3.377
 1527    H    GLU  90           HN       GLU  90  -0.893  10.825  -1.202
 1528    HA   GLU  90           HA       GLU  90   0.514  12.756   0.195
 1529   1HB   GLU  90          HB2       GLU  90   0.650   9.782  -0.015
 1530   2HB   GLU  90          HB1       GLU  90   1.780  10.652   1.023
 1531   1HG   GLU  90          HG2       GLU  90  -0.136  11.641   2.205
 1532   2HG   GLU  90          HG1       GLU  90  -1.236  10.698   1.179
 1533    H    LYS  91           HN       LYS  91   1.238  11.236  -2.810
 1534    HA   LYS  91           HA       LYS  91   4.004  11.256  -2.821
 1535   1HB   LYS  91          HB2       LYS  91   3.942  11.150  -5.137
 1536   2HB   LYS  91          HB1       LYS  91   2.423  10.421  -4.644
 1537   1HG   LYS  91          HG2       LYS  91   1.210  12.390  -5.244
 1538   2HG   LYS  91          HG1       LYS  91   2.709  13.279  -5.535
 1539   1HD   LYS  91          HD2       LYS  91   3.269  11.696  -7.343
 1540   2HD   LYS  91          HD1       LYS  91   1.724  10.883  -7.081
 1541   1HE   LYS  91          HE2       LYS  91   0.536  12.940  -7.643
 1542   2HE   LYS  91          HE1       LYS  91   2.073  13.773  -7.873
 1543   1HZ   LYS  91          HZ1       LYS  91   1.122  13.072  -9.978
 1544   2HZ   LYS  91          HZ2       LYS  91   1.107  11.460  -9.466
 1545   3HZ   LYS  91          HZ3       LYS  91   2.580  12.262  -9.688
 1546    H    ALA  92           HN       ALA  92   1.751  13.839  -3.620
 1547    HA   ALA  92           HA       ALA  92   3.884  15.782  -3.876
 1548   1HB   ALA  92          HB1       ALA  92   2.109  17.391  -4.322
 1549   2HB   ALA  92          HB2       ALA  92   0.897  16.191  -3.874
 1550   3HB   ALA  92          HB3       ALA  92   1.903  15.939  -5.300
 1551    H    LEU  93           HN       LEU  93   1.826  14.659  -1.336
 1552    HA   LEU  93           HA       LEU  93   2.158  17.036   0.261
 1553   1HB   LEU  93          HB2       LEU  93   0.159  15.555   0.442
 1554   2HB   LEU  93          HB1       LEU  93   1.192  14.323   1.149
 1555    HG   LEU  93           HG       LEU  93   1.783  16.405   2.755
 1556   1HD1  LEU  93          HD11      LEU  93  -0.293  17.561   3.336
 1557   2HD1  LEU  93          HD12      LEU  93  -1.115  16.759   1.997
 1558   3HD1  LEU  93          HD13      LEU  93   0.194  17.896   1.675
 1559   1HD2  LEU  93          HD21      LEU  93  -0.545  14.510   3.090
 1560   2HD2  LEU  93          HD22      LEU  93   0.267  15.388   4.387
 1561   3HD2  LEU  93          HD23      LEU  93   1.141  14.160   3.472
 1562    H    GLY  94           HN       GLY  94   3.713  13.915  -0.049
 1563   1HA   GLY  94          HA2       GLY  94   5.091  13.599   2.277
 1564   2HA   GLY  94          HA1       GLY  94   5.790  13.236   0.705
 1565    H    ILE  95           HN       ILE  95   5.793  15.934  -0.255
 1566    HA   ILE  95           HA       ILE  95   8.274  16.773   0.828
 1567    HB   ILE  95           HB       ILE  95   7.806  18.880  -0.544
 1568   1HG1  ILE  95          HG12      ILE  95   5.676  17.151  -1.771
 1569   2HG1  ILE  95          HG11      ILE  95   5.295  18.391  -0.582
 1570   1HG2  ILE  95          HG21      ILE  95   8.234  17.613  -2.648
 1571   2HG2  ILE  95          HG22      ILE  95   7.983  16.163  -1.687
 1572   3HG2  ILE  95          HG23      ILE  95   9.305  17.248  -1.291
 1573   1HD1  ILE  95          HD11      ILE  95   6.251  20.088  -2.057
 1574   2HD1  ILE  95          HD12      ILE  95   4.940  19.202  -2.836
 1575   3HD1  ILE  95          HD13      ILE  95   6.616  18.838  -3.248
 1576    H    ARG  96           HN       ARG  96   7.222  16.734   3.092
 1577    HA   ARG  96           HA       ARG  96   5.568  18.868   3.878
 1578   1HB   ARG  96          HB2       ARG  96   5.829  18.086   6.002
 1579   2HB   ARG  96          HB1       ARG  96   6.468  16.691   5.152
 1580   1HG   ARG  96          HG2       ARG  96   8.063  16.981   6.752
 1581   2HG   ARG  96          HG1       ARG  96   8.746  17.951   5.444
 1582   1HD   ARG  96          HD2       ARG  96   7.817  19.968   6.427
 1583   2HD   ARG  96          HD1       ARG  96   7.060  19.019   7.704
 1584    HE   ARG  96           HE       ARG  96   9.766  18.457   7.803
 1585   1HH1  ARG  96          HH11      ARG  96   7.705  21.240   8.169
 1586   2HH1  ARG  96          HH12      ARG  96   8.760  22.037   9.288
 1587   1HH2  ARG  96          HH21      ARG  96  11.162  19.495   9.275
 1588   2HH2  ARG  96          HH22      ARG  96  10.727  21.044   9.917
 1589    H    LYS  97           HN       LYS  97   8.899  18.670   3.052
 1590    HA   LYS  97           HA       LYS  97   9.551  21.267   4.140
 1591   1HB   LYS  97          HB2       LYS  97  11.669  20.747   2.555
 1592   2HB   LYS  97          HB1       LYS  97  11.536  20.166   4.205
 1593   1HG   LYS  97          HG2       LYS  97  10.483  18.468   1.994
 1594   2HG   LYS  97          HG1       LYS  97  12.226  18.559   2.251
 1595   1HD   LYS  97          HD2       LYS  97  11.727  18.040   4.697
 1596   2HD   LYS  97          HD1       LYS  97  10.105  17.611   4.154
 1597   1HE   LYS  97          HE2       LYS  97  11.049  15.952   2.635
 1598   2HE   LYS  97          HE1       LYS  97  12.674  16.381   3.173
 1599   1HZ   LYS  97          HZ1       LYS  97  11.851  15.773   5.477
 1600   2HZ   LYS  97          HZ2       LYS  97  12.100  14.496   4.401
 1601   3HZ   LYS  97          HZ3       LYS  97  10.530  15.042   4.711
 1602    H    LYS  98           HN       LYS  98   7.985  22.499   3.045
 1603    HA   LYS  98           HA       LYS  98   8.423  22.800   0.154
 1604   1HB   LYS  98          HB2       LYS  98   6.078  23.788   1.782
 1605   2HB   LYS  98          HB1       LYS  98   6.211  23.755   0.029
 1606   1HG   LYS  98          HG2       LYS  98   6.349  21.250   0.184
 1607   2HG   LYS  98          HG1       LYS  98   5.956  21.412   1.897
 1608   1HD   LYS  98          HD2       LYS  98   3.861  22.515   1.332
 1609   2HD   LYS  98          HD1       LYS  98   4.259  22.424  -0.385
 1610   1HE   LYS  98          HE2       LYS  98   2.702  20.662   0.229
 1611   2HE   LYS  98          HE1       LYS  98   4.256  19.982  -0.252
 1612   1HZ   LYS  98          HZ1       LYS  98   4.826  19.705   2.072
 1613   2HZ   LYS  98          HZ2       LYS  98   3.375  18.906   1.729
 1614   3HZ   LYS  98          HZ3       LYS  98   3.352  20.386   2.548
  Start of MODEL   17
    1   1H    MET   1          HT1       MET   1 -19.613   5.013  -1.919
    2   2H    MET   1          HT2       MET   1 -18.195   4.138  -1.640
    3   3H    MET   1          HT3       MET   1 -18.790   4.300  -3.213
    4    HA   MET   1           HA       MET   1 -18.447   6.701  -3.078
    5   1HB   MET   1          HB2       MET   1 -17.278   5.908  -0.424
    6   2HB   MET   1          HB1       MET   1 -16.752   7.351  -1.261
    7   1HG   MET   1          HG2       MET   1 -19.544   6.779  -0.288
    8   2HG   MET   1          HG1       MET   1 -18.402   7.923   0.394
    9   1HE   MET   1          HE1       MET   1 -21.407   7.462  -1.641
   10   2HE   MET   1          HE2       MET   1 -20.346   7.065  -2.992
   11   3HE   MET   1          HE3       MET   1 -21.294   8.552  -3.023
   12    H    ALA   2           HN       ALA   2 -16.139   7.678  -3.267
   13    HA   ALA   2           HA       ALA   2 -14.404   5.582  -4.371
   14   1HB   ALA   2          HB1       ALA   2 -15.166   7.005  -6.137
   15   2HB   ALA   2          HB2       ALA   2 -13.469   7.363  -5.841
   16   3HB   ALA   2          HB3       ALA   2 -14.718   8.449  -5.232
   17    H    ALA   3           HN       ALA   3 -12.155   5.753  -4.122
   18    HA   ALA   3           HA       ALA   3 -11.341   6.980  -1.656
   19   1HB   ALA   3          HB1       ALA   3  -9.112   6.002  -2.240
   20   2HB   ALA   3          HB2       ALA   3  -9.835   5.404  -3.734
   21   3HB   ALA   3          HB3       ALA   3 -10.426   4.825  -2.177
   22    H    GLU   4           HN       GLU   4 -11.636   9.164  -2.074
   23    HA   GLU   4           HA       GLU   4 -10.557  10.446  -4.373
   24   1HB   GLU   4          HB2       GLU   4 -11.102  12.144  -2.012
   25   2HB   GLU   4          HB1       GLU   4 -11.613  12.326  -3.678
   26   1HG   GLU   4          HG2       GLU   4 -12.843  10.560  -1.583
   27   2HG   GLU   4          HG1       GLU   4 -13.537  12.000  -2.315
   28    H    THR   5           HN       THR   5  -9.711  11.406  -1.034
   29    HA   THR   5           HA       THR   5  -6.952  11.559  -1.984
   30    HB   THR   5           HB       THR   5  -7.931  12.953   0.482
   31    HG1  THR   5           HG1      THR   5  -9.306  13.504  -1.315
   32   1HG2  THR   5          HG21      THR   5  -6.141  14.555  -0.367
   33   2HG2  THR   5          HG22      THR   5  -5.704  13.285  -1.509
   34   3HG2  THR   5          HG23      THR   5  -5.582  12.992   0.224
   35    H    LEU   6           HN       LEU   6  -6.611  11.885   1.288
   36    HA   LEU   6           HA       LEU   6  -5.436   9.321   1.573
   37   1HB   LEU   6          HB2       LEU   6  -5.623  11.763   3.114
   38   2HB   LEU   6          HB1       LEU   6  -5.820  10.360   4.141
   39    HG   LEU   6           HG       LEU   6  -3.637   9.512   3.161
   40   1HD1  LEU   6          HD11      LEU   6  -3.754  12.204   1.924
   41   2HD1  LEU   6          HD12      LEU   6  -3.114  10.689   1.286
   42   3HD1  LEU   6          HD13      LEU   6  -2.196  11.598   2.485
   43   1HD2  LEU   6          HD21      LEU   6  -4.091  11.663   5.089
   44   2HD2  LEU   6          HD22      LEU   6  -2.435  11.543   4.496
   45   3HD2  LEU   6          HD23      LEU   6  -3.200  10.151   5.261
   46    H    THR   7           HN       THR   7  -6.863   7.663   1.415
   47    HA   THR   7           HA       THR   7  -9.434   7.699   2.584
   48    HB   THR   7           HB       THR   7  -8.105   5.064   2.206
   49    HG1  THR   7           HG1      THR   7  -7.291   5.716   0.351
   50   1HG2  THR   7          HG21      THR   7 -10.480   5.552   0.644
   51   2HG2  THR   7          HG22      THR   7 -10.732   6.036   2.321
   52   3HG2  THR   7          HG23      THR   7 -10.218   4.391   1.945
   53    H    GLU   8           HN       GLU   8  -9.460   5.189   3.982
   54    HA   GLU   8           HA       GLU   8  -8.382   6.080   6.492
   55   1HB   GLU   8          HB2       GLU   8  -9.334   3.298   6.338
   56   2HB   GLU   8          HB1       GLU   8  -9.705   4.553   7.505
   57   1HG   GLU   8          HG2       GLU   8 -11.117   5.581   5.612
   58   2HG   GLU   8          HG1       GLU   8 -10.996   3.982   4.877
   59    H    LEU   9           HN       LEU   9  -7.328   4.031   3.934
   60    HA   LEU   9           HA       LEU   9  -5.645   2.295   5.382
   61   1HB   LEU   9          HB2       LEU   9  -5.114   3.189   2.593
   62   2HB   LEU   9          HB1       LEU   9  -4.864   1.608   3.290
   63    HG   LEU   9           HG       LEU   9  -7.410   2.878   2.347
   64   1HD1  LEU   9          HD11      LEU   9  -5.994   1.616   0.753
   65   2HD1  LEU   9          HD12      LEU   9  -7.600   0.924   0.978
   66   3HD1  LEU   9          HD13      LEU   9  -6.204   0.184   1.759
   67   1HD2  LEU   9          HD21      LEU   9  -7.056   1.005   4.544
   68   2HD2  LEU   9          HD22      LEU   9  -8.151   0.422   3.289
   69   3HD2  LEU   9          HD23      LEU   9  -8.454   1.970   4.079
   70    H    GLU  10           HN       GLU  10  -5.280   5.585   4.291
   71    HA   GLU  10           HA       GLU  10  -2.520   5.830   4.128
   72   1HB   GLU  10          HB2       GLU  10  -2.909   8.209   4.916
   73   2HB   GLU  10          HB1       GLU  10  -3.838   7.690   3.512
   74   1HG   GLU  10          HG2       GLU  10  -5.576   8.507   4.566
   75   2HG   GLU  10          HG1       GLU  10  -5.500   7.038   5.531
   76    H    ALA  11           HN       ALA  11  -4.630   5.858   6.955
   77    HA   ALA  11           HA       ALA  11  -2.787   6.397   8.954
   78   1HB   ALA  11          HB1       ALA  11  -4.564   4.161   9.618
   79   2HB   ALA  11          HB2       ALA  11  -5.391   5.556   8.929
   80   3HB   ALA  11          HB3       ALA  11  -4.406   5.743  10.380
   81    H    ALA  12           HN       ALA  12  -3.249   3.515   7.055
   82    HA   ALA  12           HA       ALA  12  -1.525   1.811   8.537
   83   1HB   ALA  12          HB1       ALA  12  -1.649   0.315   6.694
   84   2HB   ALA  12          HB2       ALA  12  -2.092   1.610   5.584
   85   3HB   ALA  12          HB3       ALA  12  -3.233   1.080   6.820
   86    H    ILE  13           HN       ILE  13  -1.077   4.232   6.084
   87    HA   ILE  13           HA       ILE  13   1.433   3.687   5.139
   88    HB   ILE  13           HB       ILE  13  -0.248   5.691   4.673
   89   1HG1  ILE  13          HG12      ILE  13   1.621   5.009   3.247
   90   2HG1  ILE  13          HG11      ILE  13   1.497   6.763   3.345
   91   1HG2  ILE  13          HG21      ILE  13   0.414   6.728   6.939
   92   2HG2  ILE  13          HG22      ILE  13   0.309   7.779   5.527
   93   3HG2  ILE  13          HG23      ILE  13   1.883   7.232   6.104
   94   1HD1  ILE  13          HD11      ILE  13   3.292   6.698   5.084
   95   2HD1  ILE  13          HD12      ILE  13   3.790   6.198   3.469
   96   3HD1  ILE  13          HD13      ILE  13   3.493   4.985   4.714
   97    H    GLU  14           HN       GLU  14   0.433   4.879   8.231
   98    HA   GLU  14           HA       GLU  14   2.802   5.933   9.236
   99   1HB   GLU  14          HB2       GLU  14   0.650   4.420  10.727
  100   2HB   GLU  14          HB1       GLU  14   1.861   5.464  11.460
  101   1HG   GLU  14          HG2       GLU  14   0.940   7.381  10.273
  102   2HG   GLU  14          HG1       GLU  14  -0.262   6.340   9.513
  103    H    THR  15           HN       THR  15   1.729   2.592   8.921
  104    HA   THR  15           HA       THR  15   3.927   1.571  10.503
  105    HB   THR  15           HB       THR  15   2.104   0.074   8.608
  106    HG1  THR  15           HG1      THR  15   1.141  -0.564  10.696
  107   1HG2  THR  15          HG21      THR  15   4.113  -1.185   9.015
  108   2HG2  THR  15          HG22      THR  15   2.810  -1.900   9.962
  109   3HG2  THR  15          HG23      THR  15   4.009  -0.873  10.747
  110    H    VAL  16           HN       VAL  16   3.065   0.979   7.113
  111    HA   VAL  16           HA       VAL  16   5.399  -0.047   6.159
  112    HB   VAL  16           HB       VAL  16   3.414   0.082   4.801
  113   1HG1  VAL  16          HG11      VAL  16   2.675   2.285   5.647
  114   2HG1  VAL  16          HG12      VAL  16   2.578   2.143   3.894
  115   3HG1  VAL  16          HG13      VAL  16   3.894   3.052   4.632
  116   1HG2  VAL  16          HG21      VAL  16   5.894   0.332   3.830
  117   2HG2  VAL  16          HG22      VAL  16   5.207   1.830   3.208
  118   3HG2  VAL  16          HG23      VAL  16   4.472   0.283   2.793
  119    H    VAL  17           HN       VAL  17   4.753   3.309   6.911
  120    HA   VAL  17           HA       VAL  17   7.118   4.284   5.593
  121    HB   VAL  17           HB       VAL  17   5.019   5.634   5.881
  122   1HG1  VAL  17          HG11      VAL  17   4.517   6.715   7.929
  123   2HG1  VAL  17          HG12      VAL  17   6.002   6.133   8.678
  124   3HG1  VAL  17          HG13      VAL  17   4.708   5.004   8.301
  125   1HG2  VAL  17          HG21      VAL  17   7.636   6.763   6.840
  126   2HG2  VAL  17          HG22      VAL  17   6.244   7.743   6.378
  127   3HG2  VAL  17          HG23      VAL  17   7.028   6.709   5.184
  128    H    SER  18           HN       SER  18   6.012   3.729   8.914
  129    HA   SER  18           HA       SER  18   8.538   4.488  10.067
  130   1HB   SER  18          HB2       SER  18   6.039   3.306  11.290
  131   2HB   SER  18          HB1       SER  18   7.460   3.793  12.215
  132    HG   SER  18           HG       SER  18   5.456   5.309  11.480
  133    H    THR  19           HN       THR  19   7.535   1.726   8.529
  134    HA   THR  19           HA       THR  19   9.000  -0.088  10.249
  135    HB   THR  19           HB       THR  19   8.404  -1.847   8.561
  136    HG1  THR  19           HG1      THR  19   7.398   0.389   7.247
  137   1HG2  THR  19          HG21      THR  19   7.063  -1.687  10.511
  138   2HG2  THR  19          HG22      THR  19   5.950  -1.812   9.149
  139   3HG2  THR  19          HG23      THR  19   6.239  -0.249   9.912
  140    H    PHE  20           HN       PHE  20   9.156  -0.226   6.785
  141    HA   PHE  20           HA       PHE  20  11.986  -0.756   6.789
  142   1HB   PHE  20          HB2       PHE  20  10.620  -2.147   5.423
  143   2HB   PHE  20          HB1       PHE  20   9.802  -0.760   4.730
  144    HD1  PHE  20           HD1      PHE  20  10.150  -1.032   2.473
  145    HD2  PHE  20           HD2      PHE  20  13.450  -1.288   5.136
  146    HE1  PHE  20           HE1      PHE  20  11.688  -1.093   0.564
  147    HE2  PHE  20           HE2      PHE  20  14.982  -1.360   3.250
  148    HZ   PHE  20           HZ       PHE  20  14.104  -1.257   0.963
  149    H    PHE  21           HN       PHE  21   9.760   1.695   5.835
  150    HA   PHE  21           HA       PHE  21  11.647   3.214   4.374
  151   1HB   PHE  21          HB2       PHE  21   8.929   3.911   5.489
  152   2HB   PHE  21          HB1       PHE  21   9.815   4.919   4.349
  153    HD1  PHE  21           HD1      PHE  21  10.779   1.882   3.275
  154    HD2  PHE  21           HD2      PHE  21   7.167   4.173   3.463
  155    HE1  PHE  21           HE1      PHE  21   9.809   0.557   1.436
  156    HE2  PHE  21           HE2      PHE  21   6.207   2.813   1.658
  157    HZ   PHE  21           HZ       PHE  21   7.537   1.024   0.632
  158    H    THR  22           HN       THR  22  11.510   2.541   7.565
  159    HA   THR  22           HA       THR  22  12.333   5.043   8.592
  160    HB   THR  22           HB       THR  22  13.159   3.814  10.486
  161    HG1  THR  22           HG1      THR  22  14.198   2.183   9.153
  162   1HG2  THR  22          HG21      THR  22  10.740   3.928  10.283
  163   2HG2  THR  22          HG22      THR  22  11.237   2.406  11.025
  164   3HG2  THR  22          HG23      THR  22  10.745   2.442   9.331
  165    H    PHE  23           HN       PHE  23  13.780   2.995   6.280
  166    HA   PHE  23           HA       PHE  23  16.468   3.432   7.268
  167   1HB   PHE  23          HB2       PHE  23  17.086   1.673   6.091
  168   2HB   PHE  23          HB1       PHE  23  15.384   1.374   5.891
  169    HD1  PHE  23           HD1      PHE  23  14.677   0.793   3.904
  170    HD2  PHE  23           HD2      PHE  23  18.125   3.252   4.126
  171    HE1  PHE  23           HE1      PHE  23  15.010   0.519   1.508
  172    HE2  PHE  23           HE2      PHE  23  18.457   3.020   1.706
  173    HZ   PHE  23           HZ       PHE  23  16.910   1.622   0.396
  174    H    ALA  24           HN       ALA  24  14.371   5.243   5.377
  175    HA   ALA  24           HA       ALA  24  16.082   6.450   3.544
  176   1HB   ALA  24          HB1       ALA  24  13.890   7.177   3.338
  177   2HB   ALA  24          HB2       ALA  24  14.660   8.571   4.088
  178   3HB   ALA  24          HB3       ALA  24  13.712   7.453   5.068
  179    H    GLY  25           HN       GLY  25  15.743   6.812   6.965
  180   1HA   GLY  25          HA2       GLY  25  17.144   9.049   7.614
  181   2HA   GLY  25          HA1       GLY  25  17.304   7.530   8.506
  182    H    ARG  26           HN       ARG  26  18.400   6.136   6.182
  183    HA   ARG  26           HA       ARG  26  21.122   6.396   6.609
  184   1HB   ARG  26          HB2       ARG  26  19.508   5.245   4.339
  185   2HB   ARG  26          HB1       ARG  26  21.274   5.232   4.307
  186   1HG   ARG  26          HG2       ARG  26  20.672   4.249   6.813
  187   2HG   ARG  26          HG1       ARG  26  19.434   3.545   5.773
  188   1HD   ARG  26          HD2       ARG  26  21.459   2.138   5.956
  189   2HD   ARG  26          HD1       ARG  26  21.119   2.645   4.302
  190    HE   ARG  26           HE       ARG  26  22.860   4.521   5.311
  191   1HH1  ARG  26          HH11      ARG  26  22.880   1.076   4.804
  192   2HH1  ARG  26          HH12      ARG  26  24.593   0.990   4.559
  193   1HH2  ARG  26          HH21      ARG  26  25.118   4.420   4.991
  194   2HH2  ARG  26          HH22      ARG  26  25.865   2.892   4.666
  195    H    GLU  27           HN       GLU  27  19.078   7.853   4.120
  196    HA   GLU  27           HA       GLU  27  21.332   9.272   2.974
  197   1HB   GLU  27          HB2       GLU  27  18.374   9.475   2.367
  198   2HB   GLU  27          HB1       GLU  27  19.662  10.220   1.430
  199   1HG   GLU  27          HG2       GLU  27  19.221   7.267   1.806
  200   2HG   GLU  27          HG1       GLU  27  18.856   8.202   0.357
  201    H    GLY  28           HN       GLY  28  22.061  11.113   3.722
  202   1HA   GLY  28          HA2       GLY  28  21.475  12.461   5.935
  203   2HA   GLY  28          HA1       GLY  28  22.056  13.293   4.508
  204    H    ARG  29           HN       ARG  29  20.588  14.402   3.188
  205    HA   ARG  29           HA       ARG  29  18.750  15.973   4.390
  206   1HB   ARG  29          HB2       ARG  29  19.579  16.306   2.093
  207   2HB   ARG  29          HB1       ARG  29  18.573  14.974   1.541
  208   1HG   ARG  29          HG2       ARG  29  16.571  16.203   2.084
  209   2HG   ARG  29          HG1       ARG  29  17.527  17.510   2.784
  210   1HD   ARG  29          HD2       ARG  29  17.647  16.632  -0.099
  211   2HD   ARG  29          HD1       ARG  29  16.708  18.000   0.498
  212    HE   ARG  29           HE       ARG  29  19.460  18.183   1.232
  213   1HH1  ARG  29          HH11      ARG  29  17.210  18.695  -1.376
  214   2HH1  ARG  29          HH12      ARG  29  18.177  19.911  -2.143
  215   1HH2  ARG  29          HH21      ARG  29  20.739  19.784   0.235
  216   2HH2  ARG  29          HH22      ARG  29  20.183  20.531  -1.227
  217    H    LYS  30           HN       LYS  30  16.342  16.098   4.026
  218    HA   LYS  30           HA       LYS  30  15.163  13.519   4.739
  219   1HB   LYS  30          HB2       LYS  30  14.835  15.841   5.974
  220   2HB   LYS  30          HB1       LYS  30  13.626  16.091   4.723
  221   1HG   LYS  30          HG2       LYS  30  12.465  14.066   5.416
  222   2HG   LYS  30          HG1       LYS  30  13.688  13.784   6.657
  223   1HD   LYS  30          HD2       LYS  30  13.084  15.957   7.684
  224   2HD   LYS  30          HD1       LYS  30  11.800  16.132   6.487
  225   1HE   LYS  30          HE2       LYS  30  12.039  13.886   8.487
  226   2HE   LYS  30          HE1       LYS  30  10.962  15.274   8.633
  227   1HZ   LYS  30          HZ1       LYS  30  10.877  13.267   6.445
  228   2HZ   LYS  30          HZ2       LYS  30   9.818  14.571   6.639
  229   3HZ   LYS  30          HZ3       LYS  30   9.826  13.311   7.769
  230    H    GLY  31           HN       GLY  31  15.776  13.293   2.266
  231   1HA   GLY  31          HA2       GLY  31  13.548  14.190   0.573
  232   2HA   GLY  31          HA1       GLY  31  15.056  13.482   0.007
  233    H    SER  32           HN       SER  32  15.321  11.217   0.141
  234    HA   SER  32           HA       SER  32  12.935   9.739   0.930
  235   1HB   SER  32          HB2       SER  32  12.990   8.458  -1.208
  236   2HB   SER  32          HB1       SER  32  12.529  10.147  -1.397
  237    HG   SER  32           HG       SER  32  15.030   8.950  -1.974
  238    H    LEU  33           HN       LEU  33  13.346   7.334   0.569
  239    HA   LEU  33           HA       LEU  33  15.937   6.722   1.688
  240   1HB   LEU  33          HB2       LEU  33  14.734   5.258   2.883
  241   2HB   LEU  33          HB1       LEU  33  13.339   5.682   1.975
  242    HG   LEU  33           HG       LEU  33  15.246   3.472   1.331
  243   1HD1  LEU  33          HD11      LEU  33  13.456   1.970   2.001
  244   2HD1  LEU  33          HD12      LEU  33  12.437   3.343   2.397
  245   3HD1  LEU  33          HD13      LEU  33  13.897   3.048   3.323
  246   1HD2  LEU  33          HD21      LEU  33  12.719   3.226   0.019
  247   2HD2  LEU  33          HD22      LEU  33  14.338   3.259  -0.681
  248   3HD2  LEU  33          HD23      LEU  33  13.469   4.764  -0.396
  249    H    ASN  34           HN       ASN  34  17.223   4.885   0.758
  250    HA   ASN  34           HA       ASN  34  16.761   5.004  -2.161
  251   1HB   ASN  34          HB2       ASN  34  18.752   6.234  -1.244
  252   2HB   ASN  34          HB1       ASN  34  19.445   4.673  -0.817
  253   1HD2  ASN  34          HD21      ASN  34  18.422   6.723  -3.461
  254   2HD2  ASN  34          HD22      ASN  34  19.346   5.931  -4.688
  255    H    ILE  35           HN       ILE  35  19.304   2.908  -1.575
  256    HA   ILE  35           HA       ILE  35  17.582   0.655  -1.200
  257    HB   ILE  35           HB       ILE  35  18.915  -0.503  -3.109
  258   1HG1  ILE  35          HG12      ILE  35  19.508   0.978  -4.941
  259   2HG1  ILE  35          HG11      ILE  35  18.985   2.380  -4.015
  260   1HG2  ILE  35          HG21      ILE  35  17.168   0.545  -4.747
  261   2HG2  ILE  35          HG22      ILE  35  16.548   1.299  -3.280
  262   3HG2  ILE  35          HG23      ILE  35  16.637  -0.459  -3.400
  263   1HD1  ILE  35          HD11      ILE  35  21.248   0.571  -3.230
  264   2HD1  ILE  35          HD12      ILE  35  20.774   2.081  -2.456
  265   3HD1  ILE  35          HD13      ILE  35  21.427   2.099  -4.092
  266    H    ASN  36           HN       ASN  36  19.592   1.944   0.391
  267    HA   ASN  36           HA       ASN  36  21.848   0.150   0.444
  268   1HB   ASN  36          HB2       ASN  36  21.015   2.312   2.394
  269   2HB   ASN  36          HB1       ASN  36  22.550   1.449   2.425
  270   1HD2  ASN  36          HD21      ASN  36  20.632   3.839   0.797
  271   2HD2  ASN  36          HD22      ASN  36  21.905   4.500  -0.167
  272    H    GLU  37           HN       GLU  37  19.421   1.049   2.926
  273    HA   GLU  37           HA       GLU  37  19.817  -1.545   4.100
  274   1HB   GLU  37          HB2       GLU  37  17.523   0.190   4.828
  275   2HB   GLU  37          HB1       GLU  37  18.415  -0.929   5.828
  276   1HG   GLU  37          HG2       GLU  37  20.402   0.623   5.321
  277   2HG   GLU  37          HG1       GLU  37  19.153   1.826   4.974
  278    H    PHE  38           HN       PHE  38  17.916  -0.343   1.510
  279    HA   PHE  38           HA       PHE  38  15.714  -2.035   1.625
  280   1HB   PHE  38          HB2       PHE  38  16.174  -0.216  -0.079
  281   2HB   PHE  38          HB1       PHE  38  17.285  -1.327  -0.870
  282    HD1  PHE  38           HD1      PHE  38  14.189   0.040  -1.090
  283    HD2  PHE  38           HD2      PHE  38  16.053  -3.773  -1.222
  284    HE1  PHE  38           HE1      PHE  38  12.286  -0.838  -2.384
  285    HE2  PHE  38           HE2      PHE  38  14.151  -4.665  -2.509
  286    HZ   PHE  38           HZ       PHE  38  12.266  -3.194  -3.093
  287    H    LYS  39           HN       LYS  39  19.075  -2.525   1.029
  288    HA   LYS  39           HA       LYS  39  18.986  -5.046  -0.083
  289   1HB   LYS  39          HB2       LYS  39  21.165  -4.048   1.713
  290   2HB   LYS  39          HB1       LYS  39  21.305  -5.218   0.409
  291   1HG   LYS  39          HG2       LYS  39  20.206  -2.810  -0.592
  292   2HG   LYS  39          HG1       LYS  39  21.701  -2.459   0.276
  293   1HD   LYS  39          HD2       LYS  39  21.437  -4.572  -1.855
  294   2HD   LYS  39          HD1       LYS  39  22.061  -2.946  -2.137
  295   1HE   LYS  39          HE2       LYS  39  23.223  -5.035  -0.298
  296   2HE   LYS  39          HE1       LYS  39  23.891  -4.506  -1.841
  297   1HZ   LYS  39          HZ1       LYS  39  24.183  -2.289  -0.894
  298   2HZ   LYS  39          HZ2       LYS  39  25.034  -3.452  -0.011
  299   3HZ   LYS  39          HZ3       LYS  39  23.582  -2.830   0.592
  300    H    GLU  40           HN       GLU  40  18.248  -4.005   2.935
  301    HA   GLU  40           HA       GLU  40  18.642  -6.475   4.322
  302   1HB   GLU  40          HB2       GLU  40  18.041  -5.325   6.232
  303   2HB   GLU  40          HB1       GLU  40  18.558  -3.962   5.235
  304   1HG   GLU  40          HG2       GLU  40  16.591  -3.073   5.792
  305   2HG   GLU  40          HG1       GLU  40  15.925  -4.172   4.577
  306    H    LEU  41           HN       LEU  41  16.401  -5.276   2.085
  307    HA   LEU  41           HA       LEU  41  14.001  -6.395   3.067
  308   1HB   LEU  41          HB2       LEU  41  14.812  -5.632   0.266
  309   2HB   LEU  41          HB1       LEU  41  13.200  -6.160   0.709
  310    HG   LEU  41           HG       LEU  41  14.590  -3.601   1.333
  311   1HD1  LEU  41          HD11      LEU  41  11.760  -3.533   0.799
  312   2HD1  LEU  41          HD12      LEU  41  12.629  -4.415  -0.456
  313   3HD1  LEU  41          HD13      LEU  41  13.088  -2.760  -0.063
  314   1HD2  LEU  41          HD21      LEU  41  12.530  -4.973   3.003
  315   2HD2  LEU  41          HD22      LEU  41  12.468  -3.221   2.826
  316   3HD2  LEU  41          HD23      LEU  41  13.906  -3.988   3.503
  317    H    ALA  42           HN       ALA  42  15.149  -7.444  -0.110
  318    HA   ALA  42           HA       ALA  42  14.160  -9.913  -0.177
  319   1HB   ALA  42          HB1       ALA  42  15.924 -10.560  -1.674
  320   2HB   ALA  42          HB2       ALA  42  16.908  -9.214  -1.101
  321   3HB   ALA  42          HB3       ALA  42  15.417  -8.900  -1.983
  322    H    THR  43           HN       THR  43  17.051  -8.959   1.509
  323    HA   THR  43           HA       THR  43  18.138 -11.448   2.077
  324    HB   THR  43           HB       THR  43  19.111 -10.055   4.058
  325    HG1  THR  43           HG1      THR  43  18.323  -7.852   2.477
  326   1HG2  THR  43          HG21      THR  43  20.690  -8.940   2.529
  327   2HG2  THR  43          HG22      THR  43  19.610  -9.303   1.184
  328   3HG2  THR  43          HG23      THR  43  20.391 -10.615   2.066
  329    H    GLN  44           HN       GLN  44  16.323  -9.302   4.272
  330    HA   GLN  44           HA       GLN  44  15.902 -11.389   6.145
  331   1HB   GLN  44          HB2       GLN  44  14.969  -8.527   6.003
  332   2HB   GLN  44          HB1       GLN  44  14.525  -9.611   7.319
  333   1HG   GLN  44          HG2       GLN  44  17.331  -8.834   6.559
  334   2HG   GLN  44          HG1       GLN  44  16.403  -8.167   7.902
  335   1HE2  GLN  44          HE21      GLN  44  16.016  -9.436   9.715
  336   2HE2  GLN  44          HE22      GLN  44  16.920 -10.872  10.042
  337    H    GLN  45           HN       GLN  45  14.012  -9.822   3.645
  338    HA   GLN  45           HA       GLN  45  11.595 -11.100   4.580
  339   1HB   GLN  45          HB2       GLN  45  10.425  -9.942   2.958
  340   2HB   GLN  45          HB1       GLN  45  11.739  -8.844   3.334
  341   1HG   GLN  45          HG2       GLN  45  12.740  -9.121   1.305
  342   2HG   GLN  45          HG1       GLN  45  12.052 -10.727   1.050
  343   1HE2  GLN  45          HE21      GLN  45  11.562  -7.328   0.745
  344   2HE2  GLN  45          HE22      GLN  45  10.071  -7.397  -0.135
  345    H    LEU  46           HN       LEU  46  14.257 -11.944   2.624
  346    HA   LEU  46           HA       LEU  46  13.408 -13.694   0.820
  347   1HB   LEU  46          HB2       LEU  46  15.820 -13.491   2.424
  348   2HB   LEU  46          HB1       LEU  46  15.408 -15.163   2.118
  349    HG   LEU  46           HG       LEU  46  16.248 -13.053   0.167
  350   1HD1  LEU  46          HD11      LEU  46  17.003 -15.936   0.549
  351   2HD1  LEU  46          HD12      LEU  46  17.901 -14.546   1.157
  352   3HD1  LEU  46          HD13      LEU  46  17.738 -14.798  -0.580
  353   1HD2  LEU  46          HD21      LEU  46  15.596 -14.713  -1.633
  354   2HD2  LEU  46          HD22      LEU  46  14.276 -13.798  -0.906
  355   3HD2  LEU  46          HD23      LEU  46  14.557 -15.471  -0.426
  356    HA   PRO  47           HA       PRO  47  12.533 -17.352   3.553
  357   1HB   PRO  47          HB2       PRO  47  12.925 -16.499   6.358
  358   2HB   PRO  47          HB1       PRO  47  13.428 -18.000   5.567
  359   1HG   PRO  47          HG2       PRO  47  15.216 -16.154   6.266
  360   2HG   PRO  47          HG1       PRO  47  15.382 -17.038   4.735
  361   1HD   PRO  47          HD2       PRO  47  14.312 -14.272   5.218
  362   2HD   PRO  47          HD1       PRO  47  15.436 -14.843   3.973
  363    H    HIS  48           HN       HIS  48  10.616 -16.318   2.787
  364    HA   HIS  48           HA       HIS  48   8.826 -15.261   4.832
  365   1HB   HIS  48          HB2       HIS  48   8.916 -14.008   2.715
  366   2HB   HIS  48          HB1       HIS  48   8.441 -15.449   1.819
  367    HD1  HIS  48           HD1      HIS  48   6.046 -15.456   1.256
  368    HD2  HIS  48           HD2      HIS  48   6.778 -13.443   4.814
  369    HE1  HIS  48           HE1      HIS  48   3.799 -14.649   2.043
  370    HE2  HIS  48           HE2      HIS  48   4.255 -13.509   4.243
  371    H    LEU  49           HN       LEU  49   6.455 -16.205   4.600
  372    HA   LEU  49           HA       LEU  49   6.606 -19.026   4.877
  373   1HB   LEU  49          HB2       LEU  49   4.225 -17.186   4.518
  374   2HB   LEU  49          HB1       LEU  49   4.089 -18.903   4.851
  375    HG   LEU  49           HG       LEU  49   5.335 -16.842   6.672
  376   1HD1  LEU  49          HD11      LEU  49   2.766 -18.395   6.939
  377   2HD1  LEU  49          HD12      LEU  49   2.890 -16.690   6.509
  378   3HD1  LEU  49          HD13      LEU  49   3.418 -17.239   8.100
  379   1HD2  LEU  49          HD21      LEU  49   6.431 -19.015   6.863
  380   2HD2  LEU  49          HD22      LEU  49   4.865 -19.791   7.094
  381   3HD2  LEU  49          HD23      LEU  49   5.473 -18.656   8.298
  382    H    LEU  50           HN       LEU  50   4.363 -17.421   2.626
  383    HA   LEU  50           HA       LEU  50   4.948 -19.377   0.562
  384   1HB   LEU  50          HB2       LEU  50   2.626 -18.612   1.011
  385   2HB   LEU  50          HB1       LEU  50   3.085 -16.994   0.512
  386    HG   LEU  50           HG       LEU  50   3.599 -17.875  -1.753
  387   1HD1  LEU  50          HD11      LEU  50   4.091 -20.178  -1.151
  388   2HD1  LEU  50          HD12      LEU  50   2.807 -20.109  -2.358
  389   3HD1  LEU  50          HD13      LEU  50   2.412 -20.424  -0.668
  390   1HD2  LEU  50          HD21      LEU  50   1.262 -18.208  -2.430
  391   2HD2  LEU  50          HD22      LEU  50   1.443 -16.858  -1.309
  392   3HD2  LEU  50          HD23      LEU  50   0.810 -18.402  -0.736
  393    H    LYS  51           HN       LYS  51   7.230 -18.238   0.895
  394    HA   LYS  51           HA       LYS  51   7.766 -15.749  -0.260
  395   1HB   LYS  51          HB2       LYS  51   9.161 -17.165   1.336
  396   2HB   LYS  51          HB1       LYS  51   9.701 -18.029  -0.095
  397   1HG   LYS  51          HG2       LYS  51  10.127 -15.472  -0.839
  398   2HG   LYS  51          HG1       LYS  51  10.413 -15.366   0.872
  399   1HD   LYS  51          HD2       LYS  51  11.753 -17.215  -1.101
  400   2HD   LYS  51          HD1       LYS  51  12.501 -15.887  -0.214
  401   1HE   LYS  51          HE2       LYS  51  12.876 -17.173   1.569
  402   2HE   LYS  51          HE1       LYS  51  11.223 -17.788   1.567
  403   1HZ   LYS  51          HZ1       LYS  51  13.545 -18.815   0.025
  404   2HZ   LYS  51          HZ2       LYS  51  11.953 -19.318  -0.255
  405   3HZ   LYS  51          HZ3       LYS  51  12.683 -19.614   1.242
  406    H    ASP  52           HN       ASP  52   8.894 -15.213  -2.102
  407    HA   ASP  52           HA       ASP  52   8.422 -16.901  -4.427
  408   1HB   ASP  52          HB2       ASP  52   7.552 -14.631  -4.568
  409   2HB   ASP  52          HB1       ASP  52   9.143 -13.970  -4.197
  410    H    VAL  53           HN       VAL  53  11.001 -15.792  -2.388
  411    HA   VAL  53           HA       VAL  53  13.198 -16.279  -2.345
  412    HB   VAL  53           HB       VAL  53  12.508 -18.002  -4.700
  413   1HG1  VAL  53          HG11      VAL  53  14.674 -19.156  -4.205
  414   2HG1  VAL  53          HG12      VAL  53  15.072 -17.814  -3.134
  415   3HG1  VAL  53          HG13      VAL  53  14.850 -17.529  -4.860
  416   1HG2  VAL  53          HG21      VAL  53  11.402 -18.717  -2.691
  417   2HG2  VAL  53          HG22      VAL  53  12.921 -18.650  -1.798
  418   3HG2  VAL  53          HG23      VAL  53  12.702 -19.847  -3.073
  419    H    GLY  54           HN       GLY  54  13.371 -14.017  -2.872
  420   1HA   GLY  54          HA2       GLY  54  13.567 -12.783  -5.278
  421   2HA   GLY  54          HA1       GLY  54  14.597 -12.390  -3.915
  422    H    SER  55           HN       SER  55  14.830 -12.785  -6.997
  423    HA   SER  55           HA       SER  55  16.967 -14.707  -7.195
  424   1HB   SER  55          HB2       SER  55  15.305 -14.137  -9.045
  425   2HB   SER  55          HB1       SER  55  16.203 -12.634  -9.256
  426    HG   SER  55           HG       SER  55  16.825 -14.505 -10.607
  427    H    LEU  56           HN       LEU  56  19.118 -14.319  -7.120
  428    HA   LEU  56           HA       LEU  56  20.247 -12.277  -5.762
  429   1HB   LEU  56          HB2       LEU  56  22.377 -12.841  -6.743
  430   2HB   LEU  56          HB1       LEU  56  21.450 -14.297  -6.448
  431    HG   LEU  56           HG       LEU  56  21.746 -12.975  -9.148
  432   1HD1  LEU  56          HD11      LEU  56  23.124 -15.392  -7.991
  433   2HD1  LEU  56          HD12      LEU  56  23.875 -13.847  -8.386
  434   3HD1  LEU  56          HD13      LEU  56  23.222 -14.864  -9.670
  435   1HD2  LEU  56          HD21      LEU  56  19.701 -14.213  -9.057
  436   2HD2  LEU  56          HD22      LEU  56  20.496 -15.572  -8.265
  437   3HD2  LEU  56          HD23      LEU  56  20.876 -15.183  -9.942
  438    H    ASP  57           HN       ASP  57  19.920 -12.312  -9.320
  439    HA   ASP  57           HA       ASP  57  21.001  -9.705  -9.655
  440   1HB   ASP  57          HB2       ASP  57  19.525 -11.629 -11.379
  441   2HB   ASP  57          HB1       ASP  57  19.556  -9.932 -11.858
  442    H    GLU  58           HN       GLU  58  17.721 -10.988  -9.530
  443    HA   GLU  58           HA       GLU  58  16.232  -8.745 -10.098
  444   1HB   GLU  58          HB2       GLU  58  15.253 -10.976  -9.716
  445   2HB   GLU  58          HB1       GLU  58  15.642 -10.855  -8.005
  446   1HG   GLU  58          HG2       GLU  58  14.144  -8.915  -7.826
  447   2HG   GLU  58          HG1       GLU  58  13.715  -9.117  -9.524
  448    H    LYS  59           HN       LYS  59  17.809  -9.722  -7.150
  449    HA   LYS  59           HA       LYS  59  16.826  -7.647  -5.541
  450   1HB   LYS  59          HB2       LYS  59  19.220  -9.439  -5.263
  451   2HB   LYS  59          HB1       LYS  59  18.712  -8.305  -4.027
  452   1HG   LYS  59          HG2       LYS  59  17.070  -9.647  -3.300
  453   2HG   LYS  59          HG1       LYS  59  16.544 -10.002  -4.947
  454   1HD   LYS  59          HD2       LYS  59  17.248 -12.057  -3.993
  455   2HD   LYS  59          HD1       LYS  59  18.497 -11.567  -5.138
  456   1HE   LYS  59          HE2       LYS  59  19.853 -10.706  -3.304
  457   2HE   LYS  59          HE1       LYS  59  18.597 -11.158  -2.152
  458   1HZ   LYS  59          HZ1       LYS  59  20.142 -13.026  -3.868
  459   2HZ   LYS  59          HZ2       LYS  59  18.903 -13.476  -2.808
  460   3HZ   LYS  59          HZ3       LYS  59  20.335 -12.812  -2.200
  461    H    MET  60           HN       MET  60  19.453  -7.875  -7.767
  462    HA   MET  60           HA       MET  60  20.724  -5.477  -6.863
  463   1HB   MET  60          HB2       MET  60  21.182  -7.162  -9.326
  464   2HB   MET  60          HB1       MET  60  22.187  -5.798  -8.847
  465   1HG   MET  60          HG2       MET  60  21.759  -8.294  -7.218
  466   2HG   MET  60          HG1       MET  60  23.161  -7.968  -8.237
  467   1HE   MET  60          HE1       MET  60  23.300  -8.739  -5.100
  468   2HE   MET  60          HE2       MET  60  24.577  -7.639  -4.582
  469   3HE   MET  60          HE3       MET  60  24.712  -8.483  -6.124
  470    H    LYS  61           HN       LYS  61  18.575  -6.414  -9.472
  471    HA   LYS  61           HA       LYS  61  18.711  -3.919 -10.870
  472   1HB   LYS  61          HB2       LYS  61  16.218  -5.459 -11.153
  473   2HB   LYS  61          HB1       LYS  61  17.310  -4.853 -12.394
  474   1HG   LYS  61          HG2       LYS  61  18.844  -6.769 -11.787
  475   2HG   LYS  61          HG1       LYS  61  17.505  -7.398 -10.822
  476   1HD   LYS  61          HD2       LYS  61  16.088  -7.418 -12.830
  477   2HD   LYS  61          HD1       LYS  61  17.452  -6.839 -13.787
  478   1HE   LYS  61          HE2       LYS  61  18.709  -8.849 -13.245
  479   2HE   LYS  61          HE1       LYS  61  17.384  -9.423 -12.232
  480   1HZ   LYS  61          HZ1       LYS  61  17.272  -8.980 -15.167
  481   2HZ   LYS  61          HZ2       LYS  61  15.971  -9.482 -14.208
  482   3HZ   LYS  61          HZ3       LYS  61  17.325 -10.481 -14.387
  483    H    THR  62           HN       THR  62  16.350  -5.407  -8.732
  484    HA   THR  62           HA       THR  62  14.398  -3.527  -8.720
  485    HB   THR  62           HB       THR  62  15.364  -5.087  -6.331
  486    HG1  THR  62           HG1      THR  62  14.530  -6.050  -8.525
  487   1HG2  THR  62          HG21      THR  62  13.007  -4.842  -5.574
  488   2HG2  THR  62          HG22      THR  62  12.740  -3.703  -6.890
  489   3HG2  THR  62          HG23      THR  62  13.892  -3.319  -5.610
  490    H    LEU  63           HN       LEU  63  17.569  -3.204  -7.328
  491    HA   LEU  63           HA       LEU  63  17.191  -1.268  -5.404
  492   1HB   LEU  63          HB2       LEU  63  19.386  -1.769  -7.361
  493   2HB   LEU  63          HB1       LEU  63  19.429  -0.300  -6.409
  494    HG   LEU  63           HG       LEU  63  19.059  -2.063  -4.427
  495   1HD1  LEU  63          HD11      LEU  63  19.131  -3.853  -6.312
  496   2HD1  LEU  63          HD12      LEU  63  19.968  -4.141  -4.786
  497   3HD1  LEU  63          HD13      LEU  63  20.875  -3.618  -6.205
  498   1HD2  LEU  63          HD21      LEU  63  20.922  -0.358  -4.902
  499   2HD2  LEU  63          HD22      LEU  63  21.803  -1.722  -5.585
  500   3HD2  LEU  63          HD23      LEU  63  21.307  -1.751  -3.893
  501    H    ASP  64           HN       ASP  64  18.362  -0.373  -8.625
  502    HA   ASP  64           HA       ASP  64  17.572   2.283  -8.520
  503   1HB   ASP  64          HB2       ASP  64  17.690   0.563 -10.996
  504   2HB   ASP  64          HB1       ASP  64  17.762   2.316 -10.955
  505    H    VAL  65           HN       VAL  65  15.726  -0.576  -9.429
  506    HA   VAL  65           HA       VAL  65  13.483   0.664 -10.534
  507    HB   VAL  65           HB       VAL  65  13.526  -1.851  -8.839
  508   1HG1  VAL  65          HG11      VAL  65  11.446  -2.417  -9.966
  509   2HG1  VAL  65          HG12      VAL  65  11.490  -0.892 -10.850
  510   3HG1  VAL  65          HG13      VAL  65  11.281  -0.891  -9.100
  511   1HG2  VAL  65          HG21      VAL  65  13.738  -1.499 -11.829
  512   2HG2  VAL  65          HG22      VAL  65  13.652  -3.038 -10.972
  513   3HG2  VAL  65          HG23      VAL  65  15.046  -1.981 -10.748
  514    H    ASN  66           HN       ASN  66  13.417  -0.751  -7.255
  515    HA   ASN  66           HA       ASN  66  11.581   1.320  -6.396
  516   1HB   ASN  66          HB2       ASN  66  12.794  -0.713  -4.549
  517   2HB   ASN  66          HB1       ASN  66  11.227   0.077  -4.455
  518   1HD2  ASN  66          HD21      ASN  66  10.594  -0.351  -7.254
  519   2HD2  ASN  66          HD22      ASN  66  10.211  -2.027  -7.412
  520    H    GLN  67           HN       GLN  67  14.027   2.451  -7.081
  521    HA   GLN  67           HA       GLN  67  15.928   2.693  -5.069
  522   1HB   GLN  67          HB2       GLN  67  16.620   3.486  -7.121
  523   2HB   GLN  67          HB1       GLN  67  15.074   4.209  -7.484
  524   1HG   GLN  67          HG2       GLN  67  17.037   5.344  -5.512
  525   2HG   GLN  67          HG1       GLN  67  16.954   5.747  -7.216
  526   1HE2  GLN  67          HE21      GLN  67  14.290   5.883  -7.659
  527   2HE2  GLN  67          HE22      GLN  67  13.693   7.233  -6.810
  528    H    ASP  68           HN       ASP  68  13.271   4.785  -5.977
  529    HA   ASP  68           HA       ASP  68  13.308   6.098  -3.382
  530   1HB   ASP  68          HB2       ASP  68  12.042   6.655  -5.990
  531   2HB   ASP  68          HB1       ASP  68  11.078   7.083  -4.580
  532    H    SER  69           HN       SER  69  12.714   3.298  -3.247
  533    HA   SER  69           HA       SER  69  10.040   2.582  -3.295
  534   1HB   SER  69          HB2       SER  69  11.883   0.982  -2.859
  535   2HB   SER  69          HB1       SER  69  12.104   1.707  -1.261
  536    HG   SER  69           HG       SER  69   9.881   1.106  -0.848
  537    H    GLU  70           HN       GLU  70  11.735   4.649  -1.189
  538    HA   GLU  70           HA       GLU  70   9.259   5.127   0.328
  539   1HB   GLU  70          HB2       GLU  70  10.549   4.308   2.060
  540   2HB   GLU  70          HB1       GLU  70  12.029   4.793   1.280
  541   1HG   GLU  70          HG2       GLU  70  11.696   7.090   1.889
  542   2HG   GLU  70          HG1       GLU  70  10.121   6.705   2.595
  543    H    LEU  71           HN       LEU  71   9.032   7.312   1.053
  544    HA   LEU  71           HA       LEU  71  10.847   9.177  -0.148
  545   1HB   LEU  71          HB2       LEU  71   9.225   8.834  -1.760
  546   2HB   LEU  71          HB1       LEU  71   7.922   8.909  -0.600
  547    HG   LEU  71           HG       LEU  71   8.203  10.809  -2.067
  548   1HD1  LEU  71          HD11      LEU  71   6.969  11.860  -0.631
  549   2HD1  LEU  71          HD12      LEU  71   8.413  12.327   0.237
  550   3HD1  LEU  71          HD13      LEU  71   7.594  10.832   0.650
  551   1HD2  LEU  71          HD21      LEU  71  10.019  12.400  -1.389
  552   2HD2  LEU  71          HD22      LEU  71  10.457  11.029  -2.345
  553   3HD2  LEU  71          HD23      LEU  71  10.745  11.024  -0.640
  554    H    ARG  72           HN       ARG  72  11.247  10.921   1.031
  555    HA   ARG  72           HA       ARG  72   9.508  11.593   3.293
  556   1HB   ARG  72          HB2       ARG  72  12.157  12.909   2.901
  557   2HB   ARG  72          HB1       ARG  72  11.345  12.475   4.395
  558   1HG   ARG  72          HG2       ARG  72  12.864  10.690   2.540
  559   2HG   ARG  72          HG1       ARG  72  13.297  11.146   4.187
  560   1HD   ARG  72          HD2       ARG  72  11.125   9.324   3.238
  561   2HD   ARG  72          HD1       ARG  72  12.436   8.984   4.359
  562    HE   ARG  72           HE       ARG  72  11.075  10.875   5.674
  563   1HH1  ARG  72          HH11      ARG  72  10.036   7.967   4.069
  564   2HH1  ARG  72          HH12      ARG  72   8.687   7.716   5.118
  565   1HH2  ARG  72          HH21      ARG  72   9.297  10.551   7.068
  566   2HH2  ARG  72          HH22      ARG  72   8.263   9.183   6.824
  567    H    PHE  73           HN       PHE  73  10.936  12.682   0.297
  568    HA   PHE  73           HA       PHE  73   9.674  15.274   0.489
  569   1HB   PHE  73          HB2       PHE  73  11.118  16.054  -1.225
  570   2HB   PHE  73          HB1       PHE  73  12.061  15.088  -0.125
  571    HD1  PHE  73           HD1      PHE  73  11.755  15.946  -3.390
  572    HD2  PHE  73           HD2      PHE  73  12.178  12.450  -1.031
  573    HE1  PHE  73           HE1      PHE  73  12.708  14.739  -5.307
  574    HE2  PHE  73           HE2      PHE  73  13.094  11.235  -2.891
  575    HZ   PHE  73           HZ       PHE  73  13.390  12.382  -5.071
  576    H    SER  74           HN       SER  74   9.884  13.949  -2.857
  577    HA   SER  74           HA       SER  74   6.955  14.032  -2.832
  578   1HB   SER  74          HB2       SER  74   7.372  14.507  -5.400
  579   2HB   SER  74          HB1       SER  74   7.348  15.813  -4.216
  580    HG   SER  74           HG       SER  74   9.408  14.877  -5.740
  581    H    GLU  75           HN       GLU  75   9.590  12.112  -3.549
  582    HA   GLU  75           HA       GLU  75   8.437  10.493  -5.534
  583   1HB   GLU  75          HB2       GLU  75  10.477   9.677  -3.482
  584   2HB   GLU  75          HB1       GLU  75  10.192   8.893  -5.027
  585   1HG   GLU  75          HG2       GLU  75  10.958  11.771  -4.922
  586   2HG   GLU  75          HG1       GLU  75  12.186  10.518  -4.757
  587    H    TYR  76           HN       TYR  76   6.610  10.844  -3.065
  588    HA   TYR  76           HA       TYR  76   6.487   8.377  -1.754
  589   1HB   TYR  76          HB2       TYR  76   4.914  10.806  -1.741
  590   2HB   TYR  76          HB1       TYR  76   3.921   9.378  -1.534
  591    HD1  TYR  76           HD1      TYR  76   4.711  11.782   0.356
  592    HD2  TYR  76           HD2      TYR  76   5.963   7.766  -0.035
  593    HE1  TYR  76           HE1      TYR  76   5.490  11.788   2.684
  594    HE2  TYR  76           HE2      TYR  76   6.757   7.735   2.231
  595    HH   TYR  76           HH       TYR  76   5.922  10.175   4.490
  596    H    TRP  77           HN       TRP  77   5.550   9.475  -4.783
  597    HA   TRP  77           HA       TRP  77   3.389   7.722  -5.320
  598   1HB   TRP  77          HB2       TRP  77   3.860   8.147  -7.675
  599   2HB   TRP  77          HB1       TRP  77   4.014   9.651  -6.768
  600    HD1  TRP  77           HD1      TRP  77   6.368   6.816  -7.966
  601    HE1  TRP  77           HE1      TRP  77   8.606   7.870  -8.628
  602    HE3  TRP  77           HE3      TRP  77   5.332  11.678  -6.831
  603    HZ2  TRP  77           HZ2      TRP  77   9.784  10.447  -8.681
  604    HZ3  TRP  77           HZ3      TRP  77   7.055  13.377  -7.201
  605    HH2  TRP  77           HH2      TRP  77   9.242  12.777  -8.116
  606    H    ARG  78           HN       ARG  78   6.668   7.034  -4.645
  607    HA   ARG  78           HA       ARG  78   6.843   4.742  -6.429
  608   1HB   ARG  78          HB2       ARG  78   8.638   5.957  -4.350
  609   2HB   ARG  78          HB1       ARG  78   8.997   4.381  -5.057
  610   1HG   ARG  78          HG2       ARG  78   8.487   6.773  -6.768
  611   2HG   ARG  78          HG1       ARG  78  10.066   6.478  -6.083
  612   1HD   ARG  78          HD2       ARG  78  10.117   5.538  -8.234
  613   2HD   ARG  78          HD1       ARG  78   9.968   4.188  -7.111
  614    HE   ARG  78           HE       ARG  78   7.478   5.192  -8.199
  615   1HH1  ARG  78          HH11      ARG  78  10.070   2.872  -8.509
  616   2HH1  ARG  78          HH12      ARG  78   9.127   1.758  -9.439
  617   1HH2  ARG  78          HH21      ARG  78   6.241   3.725  -9.427
  618   2HH2  ARG  78          HH22      ARG  78   6.957   2.242  -9.962
  619    H    LEU  79           HN       LEU  79   6.536   5.450  -3.028
  620    HA   LEU  79           HA       LEU  79   6.373   2.961  -1.911
  621   1HB   LEU  79          HB2       LEU  79   4.914   5.513  -1.279
  622   2HB   LEU  79          HB1       LEU  79   4.864   4.105  -0.237
  623    HG   LEU  79           HG       LEU  79   7.416   4.332  -0.206
  624   1HD1  LEU  79          HD11      LEU  79   7.726   7.007  -0.324
  625   2HD1  LEU  79          HD12      LEU  79   6.715   6.659  -1.709
  626   3HD1  LEU  79          HD13      LEU  79   8.266   5.850  -1.537
  627   1HD2  LEU  79          HD21      LEU  79   6.073   4.721   1.751
  628   2HD2  LEU  79          HD22      LEU  79   5.639   6.317   1.166
  629   3HD2  LEU  79          HD23      LEU  79   7.303   5.975   1.637
  630    H    ILE  80           HN       ILE  80   4.196   4.674  -3.963
  631    HA   ILE  80           HA       ILE  80   1.786   3.569  -3.447
  632    HB   ILE  80           HB       ILE  80   2.735   5.284  -5.298
  633   1HG1  ILE  80          HG12      ILE  80   0.146   3.824  -5.822
  634   2HG1  ILE  80          HG11      ILE  80   0.345   4.932  -4.466
  635   1HG2  ILE  80          HG21      ILE  80   3.684   3.709  -6.784
  636   2HG2  ILE  80          HG22      ILE  80   2.250   4.387  -7.549
  637   3HG2  ILE  80          HG23      ILE  80   2.194   2.772  -6.844
  638   1HD1  ILE  80          HD11      ILE  80   0.839   6.740  -6.016
  639   2HD1  ILE  80          HD12      ILE  80  -0.719   6.000  -6.382
  640   3HD1  ILE  80          HD13      ILE  80   0.689   5.627  -7.375
  641    H    GLY  81           HN       GLY  81   4.182   2.209  -5.718
  642   1HA   GLY  81          HA2       GLY  81   2.700  -0.270  -5.895
  643   2HA   GLY  81          HA1       GLY  81   4.240   0.083  -6.662
  644    H    GLU  82           HN       GLU  82   4.609   0.995  -3.537
  645    HA   GLU  82           HA       GLU  82   6.171  -1.373  -2.930
  646   1HB   GLU  82          HB2       GLU  82   5.722   1.206  -1.455
  647   2HB   GLU  82          HB1       GLU  82   6.778  -0.076  -0.872
  648   1HG   GLU  82          HG2       GLU  82   7.133   1.672  -3.281
  649   2HG   GLU  82          HG1       GLU  82   8.223   1.456  -1.914
  650    H    LEU  83           HN       LEU  83   3.816   0.520  -1.071
  651    HA   LEU  83           HA       LEU  83   3.245  -1.324   0.893
  652   1HB   LEU  83          HB2       LEU  83   1.538   0.767  -0.427
  653   2HB   LEU  83          HB1       LEU  83   0.920  -0.228   0.879
  654    HG   LEU  83           HG       LEU  83   2.613   0.650   2.393
  655   1HD1  LEU  83          HD11      LEU  83   4.427   1.005   0.829
  656   2HD1  LEU  83          HD12      LEU  83   4.069   2.500   1.694
  657   3HD1  LEU  83          HD13      LEU  83   3.518   2.289   0.032
  658   1HD2  LEU  83          HD21      LEU  83   0.967   2.654   0.876
  659   2HD2  LEU  83          HD22      LEU  83   1.878   3.079   2.324
  660   3HD2  LEU  83          HD23      LEU  83   0.598   1.870   2.412
  661    H    ALA  84           HN       ALA  84   2.312  -1.272  -2.427
  662    HA   ALA  84           HA       ALA  84   0.197  -3.129  -2.211
  663   1HB   ALA  84          HB1       ALA  84   1.541  -3.062  -4.784
  664   2HB   ALA  84          HB2       ALA  84   1.140  -1.462  -4.157
  665   3HB   ALA  84          HB3       ALA  84  -0.124  -2.672  -4.359
  666    H    LYS  85           HN       LYS  85   3.649  -3.450  -2.979
  667    HA   LYS  85           HA       LYS  85   3.985  -6.017  -3.855
  668   1HB   LYS  85          HB2       LYS  85   5.564  -4.887  -1.553
  669   2HB   LYS  85          HB1       LYS  85   6.103  -6.067  -2.743
  670   1HG   LYS  85          HG2       LYS  85   5.814  -4.313  -4.497
  671   2HG   LYS  85          HG1       LYS  85   5.509  -3.157  -3.210
  672   1HD   LYS  85          HD2       LYS  85   8.033  -4.665  -3.793
  673   2HD   LYS  85          HD1       LYS  85   7.774  -2.920  -3.782
  674   1HE   LYS  85          HE2       LYS  85   7.820  -4.783  -1.411
  675   2HE   LYS  85          HE1       LYS  85   8.979  -3.511  -1.801
  676   1HZ   LYS  85          HZ1       LYS  85   7.289  -1.868  -1.414
  677   2HZ   LYS  85          HZ2       LYS  85   7.419  -2.865  -0.055
  678   3HZ   LYS  85          HZ3       LYS  85   6.126  -3.062  -1.126
  679    H    GLU  86           HN       GLU  86   3.609  -5.101  -0.542
  680    HA   GLU  86           HA       GLU  86   3.574  -7.576   0.631
  681   1HB   GLU  86          HB2       GLU  86   1.691  -5.441   1.569
  682   2HB   GLU  86          HB1       GLU  86   2.629  -6.578   2.503
  683   1HG   GLU  86          HG2       GLU  86   3.609  -4.163   1.040
  684   2HG   GLU  86          HG1       GLU  86   3.512  -4.400   2.761
  685    H    VAL  87           HN       VAL  87   0.749  -5.699  -0.422
  686    HA   VAL  87           HA       VAL  87  -0.981  -7.945  -0.004
  687    HB   VAL  87           HB       VAL  87  -1.979  -5.610  -1.540
  688   1HG1  VAL  87          HG11      VAL  87  -3.813  -5.971   0.246
  689   2HG1  VAL  87          HG12      VAL  87  -2.970  -7.483   0.575
  690   3HG1  VAL  87          HG13      VAL  87  -3.622  -7.170  -1.033
  691   1HG2  VAL  87          HG21      VAL  87  -2.294  -4.352   0.612
  692   2HG2  VAL  87          HG22      VAL  87  -0.634  -4.415   0.024
  693   3HG2  VAL  87          HG23      VAL  87  -1.139  -5.459   1.352
  694    H    ARG  88           HN       ARG  88   1.185  -7.463  -2.352
  695    HA   ARG  88           HA       ARG  88  -0.461  -8.126  -4.620
  696   1HB   ARG  88          HB2       ARG  88   1.621  -6.771  -4.818
  697   2HB   ARG  88          HB1       ARG  88   2.550  -8.200  -4.373
  698   1HG   ARG  88          HG2       ARG  88   1.845  -9.350  -6.355
  699   2HG   ARG  88          HG1       ARG  88   0.739  -8.038  -6.768
  700   1HD   ARG  88          HD2       ARG  88   2.797  -7.933  -8.091
  701   2HD   ARG  88          HD1       ARG  88   2.624  -6.521  -7.050
  702    HE   ARG  88           HE       ARG  88   4.150  -8.452  -5.708
  703   1HH1  ARG  88          HH11      ARG  88   4.362  -6.311  -8.444
  704   2HH1  ARG  88          HH12      ARG  88   6.083  -6.147  -8.349
  705   1HH2  ARG  88          HH21      ARG  88   6.417  -8.245  -5.572
  706   2HH2  ARG  88          HH22      ARG  88   7.253  -7.248  -6.715
  707    H    LYS  89           HN       LYS  89   2.349  -9.852  -3.240
  708    HA   LYS  89           HA       LYS  89   1.717 -12.335  -4.349
  709   1HB   LYS  89          HB2       LYS  89   3.326 -13.277  -2.893
  710   2HB   LYS  89          HB1       LYS  89   3.887 -11.639  -3.189
  711   1HG   LYS  89          HG2       LYS  89   2.300 -11.429  -0.914
  712   2HG   LYS  89          HG1       LYS  89   3.201 -12.937  -0.695
  713   1HD   LYS  89          HD2       LYS  89   4.639 -11.378   0.187
  714   2HD   LYS  89          HD1       LYS  89   5.212 -11.510  -1.462
  715   1HE   LYS  89          HE2       LYS  89   3.170  -9.527  -1.248
  716   2HE   LYS  89          HE1       LYS  89   4.504  -9.195  -0.143
  717   1HZ   LYS  89          HZ1       LYS  89   4.552  -9.406  -3.082
  718   2HZ   LYS  89          HZ2       LYS  89   5.956  -9.714  -2.193
  719   3HZ   LYS  89          HZ3       LYS  89   5.208  -8.203  -2.090
  720    H    GLU  90           HN       GLU  90   0.566 -10.689  -1.531
  721    HA   GLU  90           HA       GLU  90  -0.668 -12.856  -0.242
  722   1HB   GLU  90          HB2       GLU  90  -0.894  -9.873  -0.078
  723   2HB   GLU  90          HB1       GLU  90  -2.066 -10.884   0.772
  724   1HG   GLU  90          HG2       GLU  90   0.926 -10.987   1.101
  725   2HG   GLU  90          HG1       GLU  90  -0.201 -10.191   2.197
  726    H    LYS  91           HN       LYS  91  -1.432 -11.337  -3.164
  727    HA   LYS  91           HA       LYS  91  -4.230 -11.410  -3.138
  728   1HB   LYS  91          HB2       LYS  91  -4.155 -11.040  -5.427
  729   2HB   LYS  91          HB1       LYS  91  -2.671 -10.316  -4.841
  730   1HG   LYS  91          HG2       LYS  91  -1.384 -12.192  -5.608
  731   2HG   LYS  91          HG1       LYS  91  -2.854 -13.060  -6.061
  732   1HD   LYS  91          HD2       LYS  91  -3.372 -11.339  -7.716
  733   2HD   LYS  91          HD1       LYS  91  -1.925 -10.445  -7.250
  734   1HE   LYS  91          HE2       LYS  91  -1.504 -11.708  -9.274
  735   2HE   LYS  91          HE1       LYS  91  -0.541 -12.355  -7.946
  736   1HZ   LYS  91          HZ1       LYS  91  -1.560 -14.110  -9.268
  737   2HZ   LYS  91          HZ2       LYS  91  -3.101 -13.499  -8.927
  738   3HZ   LYS  91          HZ3       LYS  91  -2.147 -14.130  -7.681
  739    H    ALA  92           HN       ALA  92  -1.846 -13.812  -4.038
  740    HA   ALA  92           HA       ALA  92  -3.853 -15.798  -4.653
  741   1HB   ALA  92          HB1       ALA  92  -1.949 -17.290  -5.058
  742   2HB   ALA  92          HB2       ALA  92  -0.855 -16.045  -4.453
  743   3HB   ALA  92          HB3       ALA  92  -1.785 -15.764  -5.925
  744    H    LEU  93           HN       LEU  93  -1.730 -15.081  -1.935
  745    HA   LEU  93           HA       LEU  93  -2.461 -17.540  -0.577
  746   1HB   LEU  93          HB2       LEU  93  -0.220 -16.568  -0.293
  747   2HB   LEU  93          HB1       LEU  93  -0.942 -15.165   0.481
  748    HG   LEU  93           HG       LEU  93  -1.659 -17.796   1.628
  749   1HD1  LEU  93          HD11      LEU  93   1.100 -16.589   1.944
  750   2HD1  LEU  93          HD12      LEU  93   0.715 -18.134   1.188
  751   3HD1  LEU  93          HD13      LEU  93   0.444 -17.907   2.915
  752   1HD2  LEU  93          HD21      LEU  93  -2.480 -15.689   2.560
  753   2HD2  LEU  93          HD22      LEU  93  -0.823 -15.145   2.819
  754   3HD2  LEU  93          HD23      LEU  93  -1.446 -16.532   3.712
  755    H    GLY  94           HN       GLY  94  -3.670 -14.302  -0.681
  756   1HA   GLY  94          HA2       GLY  94  -4.890 -13.969   1.750
  757   2HA   GLY  94          HA1       GLY  94  -5.654 -13.510   0.232
  758    H    ILE  95           HN       ILE  95  -5.886 -16.086  -0.856
  759    HA   ILE  95           HA       ILE  95  -8.338 -16.851   0.339
  760    HB   ILE  95           HB       ILE  95  -8.226 -18.776  -1.281
  761   1HG1  ILE  95          HG12      ILE  95  -5.872 -17.324  -2.434
  762   2HG1  ILE  95          HG11      ILE  95  -5.653 -18.673  -1.325
  763   1HG2  ILE  95          HG21      ILE  95  -7.813 -16.037  -2.401
  764   2HG2  ILE  95          HG22      ILE  95  -9.330 -16.641  -1.742
  765   3HG2  ILE  95          HG23      ILE  95  -8.644 -17.369  -3.197
  766   1HD1  ILE  95          HD11      ILE  95  -6.837 -20.137  -2.854
  767   2HD1  ILE  95          HD12      ILE  95  -5.483 -19.352  -3.667
  768   3HD1  ILE  95          HD13      ILE  95  -7.128 -18.782  -3.945
  769    H    ARG  96           HN       ARG  96  -7.017 -17.055   2.470
  770    HA   ARG  96           HA       ARG  96  -5.535 -19.394   2.951
  771   1HB   ARG  96          HB2       ARG  96  -6.963 -17.371   4.570
  772   2HB   ARG  96          HB1       ARG  96  -6.507 -18.866   5.379
  773   1HG   ARG  96          HG2       ARG  96  -4.717 -16.854   4.036
  774   2HG   ARG  96          HG1       ARG  96  -4.822 -17.213   5.760
  775   1HD   ARG  96          HD2       ARG  96  -4.094 -19.562   5.182
  776   2HD   ARG  96          HD1       ARG  96  -3.739 -18.959   3.562
  777    HE   ARG  96           HE       ARG  96  -2.489 -17.371   5.561
  778   1HH1  ARG  96          HH11      ARG  96  -2.235 -20.381   3.836
  779   2HH1  ARG  96          HH12      ARG  96  -0.517 -20.496   4.028
  780   1HH2  ARG  96          HH21      ARG  96  -0.229 -17.508   5.822
  781   2HH2  ARG  96          HH22      ARG  96   0.625 -18.861   5.159
  782    H    LYS  97           HN       LYS  97  -8.868 -18.784   2.440
  783    HA   LYS  97           HA       LYS  97  -9.696 -21.339   3.570
  784   1HB   LYS  97          HB2       LYS  97 -11.940 -20.392   2.374
  785   2HB   LYS  97          HB1       LYS  97 -11.490 -20.028   4.029
  786   1HG   LYS  97          HG2       LYS  97 -10.611 -18.222   1.788
  787   2HG   LYS  97          HG1       LYS  97 -12.235 -18.114   2.476
  788   1HD   LYS  97          HD2       LYS  97 -11.435 -17.502   4.576
  789   2HD   LYS  97          HD1       LYS  97  -9.808 -18.095   4.231
  790   1HE   LYS  97          HE2       LYS  97  -9.377 -16.295   2.747
  791   2HE   LYS  97          HE1       LYS  97 -11.067 -15.791   2.762
  792   1HZ   LYS  97          HZ1       LYS  97  -9.653 -14.378   4.148
  793   2HZ   LYS  97          HZ2       LYS  97  -9.245 -15.711   5.106
  794   3HZ   LYS  97          HZ3       LYS  97 -10.843 -15.158   5.063
  795    H    LYS  98           HN       LYS  98  -8.492 -22.634   2.119
  796    HA   LYS  98           HA       LYS  98  -9.390 -22.581  -0.677
  797   1HB   LYS  98          HB2       LYS  98  -7.061 -24.162   0.395
  798   2HB   LYS  98          HB1       LYS  98  -7.380 -23.685  -1.267
  799   1HG   LYS  98          HG2       LYS  98  -6.974 -21.318  -0.623
  800   2HG   LYS  98          HG1       LYS  98  -6.563 -21.875   0.999
  801   1HD   LYS  98          HD2       LYS  98  -4.703 -23.141   0.147
  802   2HD   LYS  98          HD1       LYS  98  -5.164 -22.769  -1.516
  803   1HE   LYS  98          HE2       LYS  98  -4.789 -20.378  -1.055
  804   2HE   LYS  98          HE1       LYS  98  -4.261 -20.793   0.575
  805   1HZ   LYS  98          HZ1       LYS  98  -2.958 -21.700  -1.935
  806   2HZ   LYS  98          HZ2       LYS  98  -2.444 -22.065  -0.366
  807   3HZ   LYS  98          HZ3       LYS  98  -2.389 -20.469  -0.924
  808   1H    MET   1          HT1       MET   1  19.592  -4.994  -1.917
  809   2H    MET   1          HT2       MET   1  18.173  -4.110  -1.680
  810   3H    MET   1          HT3       MET   1  18.809  -4.288  -3.237
  811    HA   MET   1           HA       MET   1  18.440  -6.683  -3.105
  812   1HB   MET   1          HB2       MET   1  17.260  -5.874  -0.465
  813   2HB   MET   1          HB1       MET   1  16.741  -7.324  -1.288
  814   1HG   MET   1          HG2       MET   1  19.532  -6.732  -0.327
  815   2HG   MET   1          HG1       MET   1  18.384  -7.847   0.397
  816   1HE   MET   1          HE1       MET   1  21.397  -7.460  -1.676
  817   2HE   MET   1          HE2       MET   1  20.321  -7.078  -3.017
  818   3HE   MET   1          HE3       MET   1  21.259  -8.569  -3.039
  819    H    ALA   2           HN       ALA   2  16.127  -7.651  -3.293
  820    HA   ALA   2           HA       ALA   2  14.394  -5.563  -4.417
  821   1HB   ALA   2          HB1       ALA   2  15.151  -7.004  -6.157
  822   2HB   ALA   2          HB2       ALA   2  13.451  -7.354  -5.861
  823   3HB   ALA   2          HB3       ALA   2  14.698  -8.437  -5.240
  824    H    ALA   3           HN       ALA   3  12.155  -5.681  -4.094
  825    HA   ALA   3           HA       ALA   3  11.297  -6.885  -1.620
  826   1HB   ALA   3          HB1       ALA   3   9.082  -5.950  -2.295
  827   2HB   ALA   3          HB2       ALA   3   9.829  -5.386  -3.790
  828   3HB   ALA   3          HB3       ALA   3  10.382  -4.760  -2.237
  829    H    GLU   4           HN       GLU   4  11.664  -9.124  -2.092
  830    HA   GLU   4           HA       GLU   4  10.602 -10.393  -4.408
  831   1HB   GLU   4          HB2       GLU   4  11.128 -12.094  -2.041
  832   2HB   GLU   4          HB1       GLU   4  11.634 -12.288  -3.707
  833   1HG   GLU   4          HG2       GLU   4  12.879 -10.517  -1.625
  834   2HG   GLU   4          HG1       GLU   4  13.561 -11.965  -2.354
  835    H    THR   5           HN       THR   5   9.730 -11.306  -1.065
  836    HA   THR   5           HA       THR   5   6.984 -11.534  -2.047
  837    HB   THR   5           HB       THR   5   7.955 -12.956   0.415
  838    HG1  THR   5           HG1      THR   5   9.360 -13.469  -1.374
  839   1HG2  THR   5          HG21      THR   5   6.214 -14.593  -0.465
  840   2HG2  THR   5          HG22      THR   5   5.760 -13.336  -1.616
  841   3HG2  THR   5          HG23      THR   5   5.600 -13.048   0.117
  842    H    LEU   6           HN       LEU   6   6.635 -11.888   1.212
  843    HA   LEU   6           HA       LEU   6   5.475  -9.326   1.523
  844   1HB   LEU   6          HB2       LEU   6   5.658 -11.789   3.018
  845   2HB   LEU   6          HB1       LEU   6   5.888 -10.416   4.074
  846    HG   LEU   6           HG       LEU   6   3.704  -9.511   3.119
  847   1HD1  LEU   6          HD11      LEU   6   3.775 -12.204   1.874
  848   2HD1  LEU   6          HD12      LEU   6   3.168 -10.676   1.235
  849   3HD1  LEU   6          HD13      LEU   6   2.229 -11.567   2.433
  850   1HD2  LEU   6          HD21      LEU   6   4.153 -11.654   5.049
  851   2HD2  LEU   6          HD22      LEU   6   2.499 -11.562   4.447
  852   3HD2  LEU   6          HD23      LEU   6   3.238 -10.155   5.206
  853    H    THR   7           HN       THR   7   6.863  -7.641   1.402
  854    HA   THR   7           HA       THR   7   9.469  -7.643   2.545
  855    HB   THR   7           HB       THR   7   8.136  -5.023   2.162
  856    HG1  THR   7           HG1      THR   7   7.237  -5.652   0.343
  857   1HG2  THR   7          HG21      THR   7  10.438  -5.601   0.475
  858   2HG2  THR   7          HG22      THR   7  10.752  -5.986   2.176
  859   3HG2  THR   7          HG23      THR   7  10.231  -4.363   1.727
  860    H    GLU   8           HN       GLU   8   9.387  -5.086   3.908
  861    HA   GLU   8           HA       GLU   8   8.428  -6.063   6.446
  862   1HB   GLU   8          HB2       GLU   8   9.290  -3.246   6.145
  863   2HB   GLU   8          HB1       GLU   8   9.654  -4.390   7.429
  864   1HG   GLU   8          HG2       GLU   8  11.096  -5.573   5.633
  865   2HG   GLU   8          HG1       GLU   8  11.000  -4.031   4.783
  866    H    LEU   9           HN       LEU   9   7.455  -3.845   4.000
  867    HA   LEU   9           HA       LEU   9   5.600  -2.273   5.344
  868   1HB   LEU   9          HB2       LEU   9   5.077  -3.129   2.552
  869   2HB   LEU   9          HB1       LEU   9   4.874  -1.558   3.278
  870    HG   LEU   9           HG       LEU   9   7.396  -2.855   2.298
  871   1HD1  LEU   9          HD11      LEU   9   5.984  -1.584   0.716
  872   2HD1  LEU   9          HD12      LEU   9   7.592  -0.897   0.938
  873   3HD1  LEU   9          HD13      LEU   9   6.200  -0.154   1.724
  874   1HD2  LEU   9          HD21      LEU   9   7.085  -1.009   4.517
  875   2HD2  LEU   9          HD22      LEU   9   8.141  -0.388   3.248
  876   3HD2  LEU   9          HD23      LEU   9   8.486  -1.945   4.001
  877    H    GLU  10           HN       GLU  10   5.294  -5.583   4.288
  878    HA   GLU  10           HA       GLU  10   2.520  -5.789   4.149
  879   1HB   GLU  10          HB2       GLU  10   2.883  -8.186   4.961
  880   2HB   GLU  10          HB1       GLU  10   3.726  -7.708   3.491
  881   1HG   GLU  10          HG2       GLU  10   5.528  -8.548   4.460
  882   2HG   GLU  10          HG1       GLU  10   5.528  -7.074   5.421
  883    H    ALA  11           HN       ALA  11   4.649  -5.736   6.945
  884    HA   ALA  11           HA       ALA  11   2.809  -6.364   8.940
  885   1HB   ALA  11          HB1       ALA  11   4.598  -4.141   9.620
  886   2HB   ALA  11          HB2       ALA  11   5.416  -5.535   8.920
  887   3HB   ALA  11          HB3       ALA  11   4.433  -5.727  10.371
  888    H    ALA  12           HN       ALA  12   3.262  -3.501   7.028
  889    HA   ALA  12           HA       ALA  12   1.542  -1.787   8.504
  890   1HB   ALA  12          HB1       ALA  12   1.669  -0.300   6.655
  891   2HB   ALA  12          HB2       ALA  12   2.110  -1.602   5.551
  892   3HB   ALA  12          HB3       ALA  12   3.252  -1.068   6.785
  893    H    ILE  13           HN       ILE  13   1.096  -4.223   6.059
  894    HA   ILE  13           HA       ILE  13  -1.420  -3.670   5.117
  895    HB   ILE  13           HB       ILE  13   0.258  -5.674   4.639
  896   1HG1  ILE  13          HG12      ILE  13  -1.626  -4.983   3.229
  897   2HG1  ILE  13          HG11      ILE  13  -1.487  -6.736   3.310
  898   1HG2  ILE  13          HG21      ILE  13  -0.411  -6.711   6.912
  899   2HG2  ILE  13          HG22      ILE  13  -0.281  -7.757   5.500
  900   3HG2  ILE  13          HG23      ILE  13  -1.866  -7.228   6.061
  901   1HD1  ILE  13          HD11      ILE  13  -3.273  -6.692   5.067
  902   2HD1  ILE  13          HD12      ILE  13  -3.783  -6.200   3.453
  903   3HD1  ILE  13          HD13      ILE  13  -3.492  -4.983   4.695
  904    H    GLU  14           HN       GLU  14  -0.411  -4.856   8.203
  905    HA   GLU  14           HA       GLU  14  -2.773  -5.918   9.210
  906   1HB   GLU  14          HB2       GLU  14  -0.617  -4.409  10.697
  907   2HB   GLU  14          HB1       GLU  14  -1.828  -5.450  11.433
  908   1HG   GLU  14          HG2       GLU  14  -0.917  -7.368  10.241
  909   2HG   GLU  14          HG1       GLU  14   0.287  -6.330   9.481
  910    H    THR  15           HN       THR  15  -1.743  -2.549   8.901
  911    HA   THR  15           HA       THR  15  -3.892  -1.593  10.493
  912    HB   THR  15           HB       THR  15  -2.074  -0.083   8.628
  913    HG1  THR  15           HG1      THR  15  -1.140   0.541  10.743
  914   1HG2  THR  15          HG21      THR  15  -4.072   1.195   9.005
  915   2HG2  THR  15          HG22      THR  15  -2.788   1.890   9.993
  916   3HG2  THR  15          HG23      THR  15  -4.014   0.865  10.735
  917    H    VAL  16           HN       VAL  16  -3.055  -1.014   7.116
  918    HA   VAL  16           HA       VAL  16  -5.414   0.041   6.178
  919    HB   VAL  16           HB       VAL  16  -3.409  -0.047   4.829
  920   1HG1  VAL  16          HG11      VAL  16  -2.646  -2.252   5.643
  921   2HG1  VAL  16          HG12      VAL  16  -2.555  -2.092   3.891
  922   3HG1  VAL  16          HG13      VAL  16  -3.861  -3.022   4.623
  923   1HG2  VAL  16          HG21      VAL  16  -5.889  -0.338   3.839
  924   2HG2  VAL  16          HG22      VAL  16  -5.139  -1.792   3.192
  925   3HG2  VAL  16          HG23      VAL  16  -4.458  -0.213   2.821
  926    H    VAL  17           HN       VAL  17  -4.740  -3.308   6.912
  927    HA   VAL  17           HA       VAL  17  -7.102  -4.287   5.587
  928    HB   VAL  17           HB       VAL  17  -5.001  -5.636   5.873
  929   1HG1  VAL  17          HG11      VAL  17  -4.498  -6.717   7.921
  930   2HG1  VAL  17          HG12      VAL  17  -5.982  -6.133   8.671
  931   3HG1  VAL  17          HG13      VAL  17  -4.686  -5.005   8.290
  932   1HG2  VAL  17          HG21      VAL  17  -7.615  -6.769   6.834
  933   2HG2  VAL  17          HG22      VAL  17  -6.222  -7.746   6.368
  934   3HG2  VAL  17          HG23      VAL  17  -7.011  -6.712   5.178
  935    H    SER  18           HN       SER  18  -5.996  -3.727   8.904
  936    HA   SER  18           HA       SER  18  -8.525  -4.476  10.058
  937   1HB   SER  18          HB2       SER  18  -6.020  -3.302  11.279
  938   2HB   SER  18          HB1       SER  18  -7.442  -3.783  12.205
  939    HG   SER  18           HG       SER  18  -5.444  -5.306  11.470
  940    H    THR  19           HN       THR  19  -7.483  -1.700   8.537
  941    HA   THR  19           HA       THR  19  -8.956   0.106  10.258
  942    HB   THR  19           HB       THR  19  -8.343   1.880   8.597
  943    HG1  THR  19           HG1      THR  19  -7.344  -0.335   7.257
  944   1HG2  THR  19          HG21      THR  19  -7.010   1.703  10.543
  945   2HG2  THR  19          HG22      THR  19  -5.891   1.827   9.187
  946   3HG2  THR  19          HG23      THR  19  -6.192   0.263   9.942
  947    H    PHE  20           HN       PHE  20  -9.073   0.335   6.781
  948    HA   PHE  20           HA       PHE  20 -11.907   0.816   6.814
  949   1HB   PHE  20          HB2       PHE  20 -10.553   2.168   5.398
  950   2HB   PHE  20          HB1       PHE  20  -9.773   0.751   4.720
  951    HD1  PHE  20           HD1      PHE  20 -10.150   0.941   2.473
  952    HD2  PHE  20           HD2      PHE  20 -13.392   1.375   5.186
  953    HE1  PHE  20           HE1      PHE  20 -11.719   0.975   0.580
  954    HE2  PHE  20           HE2      PHE  20 -14.968   1.406   3.307
  955    HZ   PHE  20           HZ       PHE  20 -14.127   1.204   1.003
  956    H    PHE  21           HN       PHE  21  -9.738  -1.647   5.711
  957    HA   PHE  21           HA       PHE  21 -11.641  -3.173   4.377
  958   1HB   PHE  21          HB2       PHE  21  -8.936  -3.904   5.481
  959   2HB   PHE  21          HB1       PHE  21  -9.834  -4.892   4.343
  960    HD1  PHE  21           HD1      PHE  21 -10.773  -1.923   3.173
  961    HD2  PHE  21           HD2      PHE  21  -7.153  -4.103   3.674
  962    HE1  PHE  21           HE1      PHE  21  -9.743  -0.628   1.370
  963    HE2  PHE  21           HE2      PHE  21  -6.125  -2.802   1.879
  964    HZ   PHE  21           HZ       PHE  21  -7.418  -1.064   0.707
  965    H    THR  22           HN       THR  22 -11.565  -2.544   7.580
  966    HA   THR  22           HA       THR  22 -12.355  -5.057   8.586
  967    HB   THR  22           HB       THR  22 -13.115  -3.893  10.526
  968    HG1  THR  22           HG1      THR  22 -13.746  -1.947   8.775
  969   1HG2  THR  22          HG21      THR  22 -10.714  -3.935  10.259
  970   2HG2  THR  22          HG22      THR  22 -11.217  -2.430  11.030
  971   3HG2  THR  22          HG23      THR  22 -10.772  -2.440   9.323
  972    H    PHE  23           HN       PHE  23 -13.839  -3.001   6.358
  973    HA   PHE  23           HA       PHE  23 -16.525  -3.438   7.278
  974   1HB   PHE  23          HB2       PHE  23 -17.060  -1.656   6.095
  975   2HB   PHE  23          HB1       PHE  23 -15.350  -1.424   5.874
  976    HD1  PHE  23           HD1      PHE  23 -14.707  -0.799   3.858
  977    HD2  PHE  23           HD2      PHE  23 -18.117  -3.308   4.148
  978    HE1  PHE  23           HE1      PHE  23 -15.081  -0.559   1.450
  979    HE2  PHE  23           HE2      PHE  23 -18.481  -3.103   1.737
  980    HZ   PHE  23           HZ       PHE  23 -16.976  -1.695   0.393
  981    H    ALA  24           HN       ALA  24 -14.383  -5.262   5.418
  982    HA   ALA  24           HA       ALA  24 -16.064  -6.460   3.542
  983   1HB   ALA  24          HB1       ALA  24 -13.869  -7.178   3.366
  984   2HB   ALA  24          HB2       ALA  24 -14.647  -8.583   4.087
  985   3HB   ALA  24          HB3       ALA  24 -13.719  -7.474   5.095
  986    H    GLY  25           HN       GLY  25 -15.676  -7.083   6.952
  987   1HA   GLY  25          HA2       GLY  25 -17.196  -9.238   7.483
  988   2HA   GLY  25          HA1       GLY  25 -17.309  -7.781   8.465
  989    H    ARG  26           HN       ARG  26 -18.387  -6.190   6.230
  990    HA   ARG  26           HA       ARG  26 -21.109  -6.414   6.636
  991   1HB   ARG  26          HB2       ARG  26 -19.482  -5.258   4.376
  992   2HB   ARG  26          HB1       ARG  26 -21.248  -5.244   4.323
  993   1HG   ARG  26          HG2       ARG  26 -20.665  -4.283   6.844
  994   2HG   ARG  26          HG1       ARG  26 -19.429  -3.563   5.816
  995   1HD   ARG  26          HD2       ARG  26 -21.469  -2.177   6.010
  996   2HD   ARG  26          HD1       ARG  26 -21.112  -2.652   4.350
  997    HE   ARG  26           HE       ARG  26 -22.851  -4.553   5.328
  998   1HH1  ARG  26          HH11      ARG  26 -22.872  -1.107   4.831
  999   2HH1  ARG  26          HH12      ARG  26 -24.584  -1.023   4.581
 1000   1HH2  ARG  26          HH21      ARG  26 -25.108  -4.453   5.005
 1001   2HH2  ARG  26          HH22      ARG  26 -25.856  -2.924   4.682
 1002    H    GLU  27           HN       GLU  27 -19.119  -7.741   4.045
 1003    HA   GLU  27           HA       GLU  27 -21.326  -9.267   2.963
 1004   1HB   GLU  27          HB2       GLU  27 -18.366  -9.438   2.357
 1005   2HB   GLU  27          HB1       GLU  27 -19.648 -10.195   1.421
 1006   1HG   GLU  27          HG2       GLU  27 -19.225  -7.239   1.792
 1007   2HG   GLU  27          HG1       GLU  27 -18.863  -8.175   0.342
 1008    H    GLY  28           HN       GLY  28 -22.020 -11.119   3.714
 1009   1HA   GLY  28          HA2       GLY  28 -21.411 -12.461   5.925
 1010   2HA   GLY  28          HA1       GLY  28 -21.985 -13.297   4.498
 1011    H    ARG  29           HN       ARG  29 -20.521 -14.421   3.197
 1012    HA   ARG  29           HA       ARG  29 -18.662 -15.964   4.396
 1013   1HB   ARG  29          HB2       ARG  29 -19.504 -16.292   2.092
 1014   2HB   ARG  29          HB1       ARG  29 -18.471 -14.981   1.542
 1015   1HG   ARG  29          HG2       ARG  29 -16.478 -16.261   2.097
 1016   2HG   ARG  29          HG1       ARG  29 -17.482 -17.542   2.789
 1017   1HD   ARG  29          HD2       ARG  29 -17.594 -16.653  -0.088
 1018   2HD   ARG  29          HD1       ARG  29 -16.658 -18.029   0.495
 1019    HE   ARG  29           HE       ARG  29 -19.406 -18.200   1.247
 1020   1HH1  ARG  29          HH11      ARG  29 -17.178 -18.710  -1.379
 1021   2HH1  ARG  29          HH12      ARG  29 -18.156 -19.917  -2.147
 1022   1HH2  ARG  29          HH21      ARG  29 -20.703 -19.790   0.245
 1023   2HH2  ARG  29          HH22      ARG  29 -20.160 -20.530  -1.224
 1024    H    LYS  30           HN       LYS  30 -16.265 -16.083   4.017
 1025    HA   LYS  30           HA       LYS  30 -15.066 -13.496   4.725
 1026   1HB   LYS  30          HB2       LYS  30 -14.704 -15.923   5.847
 1027   2HB   LYS  30          HB1       LYS  30 -13.465 -16.017   4.585
 1028   1HG   LYS  30          HG2       LYS  30 -12.395 -14.031   5.439
 1029   2HG   LYS  30          HG1       LYS  30 -13.673 -13.815   6.638
 1030   1HD   LYS  30          HD2       LYS  30 -13.056 -15.961   7.662
 1031   2HD   LYS  30          HD1       LYS  30 -11.760 -16.145   6.478
 1032   1HE   LYS  30          HE2       LYS  30 -12.006 -13.912   8.491
 1033   2HE   LYS  30          HE1       LYS  30 -10.925 -15.299   8.623
 1034   1HZ   LYS  30          HZ1       LYS  30 -10.840 -13.275   6.450
 1035   2HZ   LYS  30          HZ2       LYS  30  -9.771 -14.571   6.652
 1036   3HZ   LYS  30          HZ3       LYS  30  -9.799 -13.315   7.783
 1037    H    GLY  31           HN       GLY  31 -15.737 -13.341   2.215
 1038   1HA   GLY  31          HA2       GLY  31 -13.513 -14.176   0.537
 1039   2HA   GLY  31          HA1       GLY  31 -15.028 -13.485  -0.023
 1040    H    SER  32           HN       SER  32 -15.321 -11.221   0.141
 1041    HA   SER  32           HA       SER  32 -12.951  -9.749   0.963
 1042   1HB   SER  32          HB2       SER  32 -12.966  -8.480  -1.187
 1043   2HB   SER  32          HB1       SER  32 -12.478 -10.178  -1.319
 1044    HG   SER  32           HG       SER  32 -14.983  -9.015  -1.991
 1045    H    LEU  33           HN       LEU  33 -13.345  -7.342   0.579
 1046    HA   LEU  33           HA       LEU  33 -15.937  -6.730   1.695
 1047   1HB   LEU  33          HB2       LEU  33 -14.717  -5.275   2.889
 1048   2HB   LEU  33          HB1       LEU  33 -13.322  -5.702   1.967
 1049    HG   LEU  33           HG       LEU  33 -15.241  -3.492   1.326
 1050   1HD1  LEU  33          HD11      LEU  33 -13.474  -1.979   2.003
 1051   2HD1  LEU  33          HD12      LEU  33 -12.433  -3.342   2.386
 1052   3HD1  LEU  33          HD13      LEU  33 -13.893  -3.067   3.324
 1053   1HD2  LEU  33          HD21      LEU  33 -12.703  -3.254   0.025
 1054   2HD2  LEU  33          HD22      LEU  33 -14.319  -3.266  -0.676
 1055   3HD2  LEU  33          HD23      LEU  33 -13.470  -4.782  -0.398
 1056    H    ASN  34           HN       ASN  34 -17.254  -4.915   0.742
 1057    HA   ASN  34           HA       ASN  34 -16.788  -5.033  -2.167
 1058   1HB   ASN  34          HB2       ASN  34 -18.798  -6.258  -1.264
 1059   2HB   ASN  34          HB1       ASN  34 -19.463  -4.692  -0.821
 1060   1HD2  ASN  34          HD21      ASN  34 -18.434  -6.716  -3.485
 1061   2HD2  ASN  34          HD22      ASN  34 -19.363  -5.918  -4.703
 1062    H    ILE  35           HN       ILE  35 -19.268  -2.965  -1.645
 1063    HA   ILE  35           HA       ILE  35 -17.519  -0.690  -1.239
 1064    HB   ILE  35           HB       ILE  35 -18.902   0.474  -3.110
 1065   1HG1  ILE  35          HG12      ILE  35 -19.516  -1.006  -4.943
 1066   2HG1  ILE  35          HG11      ILE  35 -18.994  -2.409  -4.018
 1067   1HG2  ILE  35          HG21      ILE  35 -17.181  -0.557  -4.783
 1068   2HG2  ILE  35          HG22      ILE  35 -16.537  -1.325  -3.334
 1069   3HG2  ILE  35          HG23      ILE  35 -16.629   0.435  -3.435
 1070   1HD1  ILE  35          HD11      ILE  35 -21.237  -0.578  -3.221
 1071   2HD1  ILE  35          HD12      ILE  35 -20.764  -2.082  -2.438
 1072   3HD1  ILE  35          HD13      ILE  35 -21.434  -2.112  -4.067
 1073    H    ASN  36           HN       ASN  36 -19.568  -2.004   0.366
 1074    HA   ASN  36           HA       ASN  36 -21.792  -0.171   0.430
 1075   1HB   ASN  36          HB2       ASN  36 -21.020  -2.335   2.405
 1076   2HB   ASN  36          HB1       ASN  36 -22.543  -1.449   2.383
 1077   1HD2  ASN  36          HD21      ASN  36 -20.612  -3.869   0.807
 1078   2HD2  ASN  36          HD22      ASN  36 -21.878  -4.536  -0.160
 1079    H    GLU  37           HN       GLU  37 -19.440  -1.134   2.993
 1080    HA   GLU  37           HA       GLU  37 -19.820   1.484   4.106
 1081   1HB   GLU  37          HB2       GLU  37 -17.499  -0.190   4.900
 1082   2HB   GLU  37          HB1       GLU  37 -18.460   0.913   5.857
 1083   1HG   GLU  37          HG2       GLU  37 -20.385  -0.743   5.348
 1084   2HG   GLU  37          HG1       GLU  37 -19.079  -1.872   5.023
 1085    H    PHE  38           HN       PHE  38 -17.913   0.324   1.538
 1086    HA   PHE  38           HA       PHE  38 -15.713   2.014   1.635
 1087   1HB   PHE  38          HB2       PHE  38 -16.258   0.219  -0.115
 1088   2HB   PHE  38          HB1       PHE  38 -17.315   1.413  -0.861
 1089    HD1  PHE  38           HD1      PHE  38 -14.224  -0.047  -1.062
 1090    HD2  PHE  38           HD2      PHE  38 -16.049   3.785  -1.203
 1091    HE1  PHE  38           HE1      PHE  38 -12.302   0.813  -2.344
 1092    HE2  PHE  38           HE2      PHE  38 -14.131   4.658  -2.480
 1093    HZ   PHE  38           HZ       PHE  38 -12.256   3.170  -3.052
 1094    H    LYS  39           HN       LYS  39 -19.070   2.519   1.025
 1095    HA   LYS  39           HA       LYS  39 -18.992   5.074  -0.100
 1096   1HB   LYS  39          HB2       LYS  39 -21.135   4.004   1.718
 1097   2HB   LYS  39          HB1       LYS  39 -21.323   5.220   0.459
 1098   1HG   LYS  39          HG2       LYS  39 -20.198   2.846  -0.638
 1099   2HG   LYS  39          HG1       LYS  39 -21.660   2.443   0.260
 1100   1HD   LYS  39          HD2       LYS  39 -21.480   4.564  -1.874
 1101   2HD   LYS  39          HD1       LYS  39 -22.110   2.933  -2.109
 1102   1HE   LYS  39          HE2       LYS  39 -23.217   5.022  -0.238
 1103   2HE   LYS  39          HE1       LYS  39 -23.921   4.524  -1.776
 1104   1HZ   LYS  39          HZ1       LYS  39 -24.187   2.285  -0.862
 1105   2HZ   LYS  39          HZ2       LYS  39 -25.036   3.435   0.044
 1106   3HZ   LYS  39          HZ3       LYS  39 -23.575   2.811   0.626
 1107    H    GLU  40           HN       GLU  40 -18.260   3.974   3.004
 1108    HA   GLU  40           HA       GLU  40 -18.601   6.474   4.343
 1109   1HB   GLU  40          HB2       GLU  40 -18.026   5.351   6.270
 1110   2HB   GLU  40          HB1       GLU  40 -18.599   4.004   5.299
 1111   1HG   GLU  40          HG2       GLU  40 -16.688   3.040   5.931
 1112   2HG   GLU  40          HG1       GLU  40 -15.976   4.012   4.644
 1113    H    LEU  41           HN       LEU  41 -16.473   5.459   1.995
 1114    HA   LEU  41           HA       LEU  41 -14.021   6.396   3.118
 1115   1HB   LEU  41          HB2       LEU  41 -14.796   5.645   0.312
 1116   2HB   LEU  41          HB1       LEU  41 -13.185   6.166   0.753
 1117    HG   LEU  41           HG       LEU  41 -14.590   3.616   1.390
 1118   1HD1  LEU  41          HD11      LEU  41 -11.767   3.511   0.832
 1119   2HD1  LEU  41          HD12      LEU  41 -12.636   4.397  -0.422
 1120   3HD1  LEU  41          HD13      LEU  41 -13.112   2.749  -0.018
 1121   1HD2  LEU  41          HD21      LEU  41 -12.516   4.987   3.033
 1122   2HD2  LEU  41          HD22      LEU  41 -12.449   3.235   2.856
 1123   3HD2  LEU  41          HD23      LEU  41 -13.883   3.997   3.546
 1124    H    ALA  42           HN       ALA  42 -15.288   7.419  -0.012
 1125    HA   ALA  42           HA       ALA  42 -14.161   9.916  -0.096
 1126   1HB   ALA  42          HB1       ALA  42 -15.906  10.578  -1.632
 1127   2HB   ALA  42          HB2       ALA  42 -16.919   9.243  -1.078
 1128   3HB   ALA  42          HB3       ALA  42 -15.421   8.911  -1.942
 1129    H    THR  43           HN       THR  43 -17.192   9.001   1.346
 1130    HA   THR  43           HA       THR  43 -18.224  11.410   2.085
 1131    HB   THR  43           HB       THR  43 -19.187  10.095   4.084
 1132    HG1  THR  43           HG1      THR  43 -18.024   7.931   2.614
 1133   1HG2  THR  43          HG21      THR  43 -20.696   8.828   2.577
 1134   2HG2  THR  43          HG22      THR  43 -19.611   9.190   1.234
 1135   3HG2  THR  43          HG23      THR  43 -20.454  10.498   2.063
 1136    H    GLN  44           HN       GLN  44 -16.290   9.308   4.214
 1137    HA   GLN  44           HA       GLN  44 -15.876  11.434   6.128
 1138   1HB   GLN  44          HB2       GLN  44 -14.906   8.575   5.936
 1139   2HB   GLN  44          HB1       GLN  44 -14.467   9.652   7.264
 1140   1HG   GLN  44          HG2       GLN  44 -17.267   8.828   6.520
 1141   2HG   GLN  44          HG1       GLN  44 -16.319   8.173   7.855
 1142   1HE2  GLN  44          HE21      GLN  44 -15.986   9.419   9.689
 1143   2HE2  GLN  44          HE22      GLN  44 -16.909  10.841  10.022
 1144    H    GLN  45           HN       GLN  45 -13.833   9.677   3.799
 1145    HA   GLN  45           HA       GLN  45 -11.480  11.061   4.563
 1146   1HB   GLN  45          HB2       GLN  45 -10.391   9.868   2.938
 1147   2HB   GLN  45          HB1       GLN  45 -11.749   8.821   3.314
 1148   1HG   GLN  45          HG2       GLN  45 -12.732   9.130   1.291
 1149   2HG   GLN  45          HG1       GLN  45 -12.017  10.727   1.051
 1150   1HE2  GLN  45          HE21      GLN  45 -11.537   7.301   0.759
 1151   2HE2  GLN  45          HE22      GLN  45 -10.066   7.378  -0.156
 1152    H    LEU  46           HN       LEU  46 -14.167  11.874   2.553
 1153    HA   LEU  46           HA       LEU  46 -13.372  13.699   0.828
 1154   1HB   LEU  46          HB2       LEU  46 -15.782  13.463   2.445
 1155   2HB   LEU  46          HB1       LEU  46 -15.383  15.133   2.122
 1156    HG   LEU  46           HG       LEU  46 -16.206  13.004   0.187
 1157   1HD1  LEU  46          HD11      LEU  46 -17.008  15.877   0.575
 1158   2HD1  LEU  46          HD12      LEU  46 -17.884  14.471   1.181
 1159   3HD1  LEU  46          HD13      LEU  46 -17.729  14.732  -0.556
 1160   1HD2  LEU  46          HD21      LEU  46 -15.595  14.677  -1.615
 1161   2HD2  LEU  46          HD22      LEU  46 -14.256  13.784  -0.897
 1162   3HD2  LEU  46          HD23      LEU  46 -14.564  15.452  -0.413
 1163    HA   PRO  47           HA       PRO  47 -12.514  17.336   3.574
 1164   1HB   PRO  47          HB2       PRO  47 -12.943  16.493   6.375
 1165   2HB   PRO  47          HB1       PRO  47 -13.425  17.999   5.580
 1166   1HG   PRO  47          HG2       PRO  47 -15.231  16.160   6.262
 1167   2HG   PRO  47          HG1       PRO  47 -15.381  17.057   4.737
 1168   1HD   PRO  47          HD2       PRO  47 -14.354  14.277   5.204
 1169   2HD   PRO  47          HD1       PRO  47 -15.440  14.881   3.946
 1170    H    HIS  48           HN       HIS  48 -10.592  16.327   2.840
 1171    HA   HIS  48           HA       HIS  48  -8.838  15.255   4.898
 1172   1HB   HIS  48          HB2       HIS  48  -8.964  13.992   2.804
 1173   2HB   HIS  48          HB1       HIS  48  -8.501  15.434   1.892
 1174    HD1  HIS  48           HD1      HIS  48  -6.110  15.477   1.298
 1175    HD2  HIS  48           HD2      HIS  48  -6.770  13.418   4.841
 1176    HE1  HIS  48           HE1      HIS  48  -3.844  14.677   2.039
 1177    HE2  HIS  48           HE2      HIS  48  -4.257  13.516   4.236
 1178    H    LEU  49           HN       LEU  49  -6.446  16.206   4.600
 1179    HA   LEU  49           HA       LEU  49  -6.630  19.025   4.873
 1180   1HB   LEU  49          HB2       LEU  49  -4.229  17.216   4.501
 1181   2HB   LEU  49          HB1       LEU  49  -4.118  18.932   4.846
 1182    HG   LEU  49           HG       LEU  49  -5.341  16.849   6.659
 1183   1HD1  LEU  49          HD11      LEU  49  -2.768  18.398   6.915
 1184   2HD1  LEU  49          HD12      LEU  49  -2.899  16.692   6.488
 1185   3HD1  LEU  49          HD13      LEU  49  -3.416  17.245   8.081
 1186   1HD2  LEU  49          HD21      LEU  49  -6.435  19.023   6.869
 1187   2HD2  LEU  49          HD22      LEU  49  -4.866  19.796   7.098
 1188   3HD2  LEU  49          HD23      LEU  49  -5.469  18.652   8.298
 1189    H    LEU  50           HN       LEU  50  -4.482  17.342   2.600
 1190    HA   LEU  50           HA       LEU  50  -5.007  19.342   0.547
 1191   1HB   LEU  50          HB2       LEU  50  -2.682  18.590   1.006
 1192   2HB   LEU  50          HB1       LEU  50  -3.128  16.975   0.491
 1193    HG   LEU  50           HG       LEU  50  -3.645  17.878  -1.768
 1194   1HD1  LEU  50          HD11      LEU  50  -4.130  20.177  -1.145
 1195   2HD1  LEU  50          HD12      LEU  50  -2.846  20.114  -2.353
 1196   3HD1  LEU  50          HD13      LEU  50  -2.451  20.415  -0.661
 1197   1HD2  LEU  50          HD21      LEU  50  -1.311  18.205  -2.443
 1198   2HD2  LEU  50          HD22      LEU  50  -1.488  16.854  -1.324
 1199   3HD2  LEU  50          HD23      LEU  50  -0.854  18.397  -0.751
 1200    H    LYS  51           HN       LYS  51  -7.294  18.174   0.877
 1201    HA   LYS  51           HA       LYS  51  -7.807  15.684  -0.264
 1202   1HB   LYS  51          HB2       LYS  51  -9.173  17.169   1.304
 1203   2HB   LYS  51          HB1       LYS  51  -9.725  17.974  -0.150
 1204   1HG   LYS  51          HG2       LYS  51 -10.211  15.329  -0.732
 1205   2HG   LYS  51          HG1       LYS  51 -10.453  15.412   0.982
 1206   1HD   LYS  51          HD2       LYS  51 -11.781  17.177  -1.069
 1207   2HD   LYS  51          HD1       LYS  51 -12.548  15.857  -0.183
 1208   1HE   LYS  51          HE2       LYS  51 -12.900  17.132   1.630
 1209   2HE   LYS  51          HE1       LYS  51 -11.264  17.800   1.569
 1210   1HZ   LYS  51          HZ1       LYS  51 -13.619  18.727   0.016
 1211   2HZ   LYS  51          HZ2       LYS  51 -12.045  19.298  -0.219
 1212   3HZ   LYS  51          HZ3       LYS  51 -12.825  19.559   1.258
 1213    H    ASP  52           HN       ASP  52  -9.119  15.231  -2.111
 1214    HA   ASP  52           HA       ASP  52  -8.481  16.894  -4.425
 1215   1HB   ASP  52          HB2       ASP  52  -7.614  14.623  -4.574
 1216   2HB   ASP  52          HB1       ASP  52  -9.208  13.959  -4.221
 1217    H    VAL  53           HN       VAL  53 -11.058  15.788  -2.397
 1218    HA   VAL  53           HA       VAL  53 -13.245  16.297  -2.354
 1219    HB   VAL  53           HB       VAL  53 -12.554  18.020  -4.706
 1220   1HG1  VAL  53          HG11      VAL  53 -14.711  19.196  -4.151
 1221   2HG1  VAL  53          HG12      VAL  53 -15.112  17.816  -3.131
 1222   3HG1  VAL  53          HG13      VAL  53 -14.899  17.597  -4.867
 1223   1HG2  VAL  53          HG21      VAL  53 -11.433  18.699  -2.686
 1224   2HG2  VAL  53          HG22      VAL  53 -12.956  18.659  -1.801
 1225   3HG2  VAL  53          HG23      VAL  53 -12.708  19.854  -3.073
 1226    H    GLY  54           HN       GLY  54 -13.205  14.001  -2.961
 1227   1HA   GLY  54          HA2       GLY  54 -13.584  12.759  -5.288
 1228   2HA   GLY  54          HA1       GLY  54 -14.570  12.390  -3.889
 1229    H    SER  55           HN       SER  55 -14.841  12.802  -6.976
 1230    HA   SER  55           HA       SER  55 -16.992  14.697  -7.140
 1231   1HB   SER  55          HB2       SER  55 -15.237  14.073  -8.902
 1232   2HB   SER  55          HB1       SER  55 -16.257  12.668  -9.231
 1233    HG   SER  55           HG       SER  55 -16.793  14.446 -10.581
 1234    H    LEU  56           HN       LEU  56 -19.132  14.292  -7.106
 1235    HA   LEU  56           HA       LEU  56 -20.235  12.232  -5.762
 1236   1HB   LEU  56          HB2       LEU  56 -22.377  12.804  -6.713
 1237   2HB   LEU  56          HB1       LEU  56 -21.450  14.260  -6.418
 1238    HG   LEU  56           HG       LEU  56 -21.767  12.956  -9.124
 1239   1HD1  LEU  56          HD11      LEU  56 -23.141  15.365  -7.947
 1240   2HD1  LEU  56          HD12      LEU  56 -23.892  13.818  -8.336
 1241   3HD1  LEU  56          HD13      LEU  56 -23.253  14.838  -9.625
 1242   1HD2  LEU  56          HD21      LEU  56 -19.725  14.200  -9.034
 1243   2HD2  LEU  56          HD22      LEU  56 -20.523  15.552  -8.236
 1244   3HD2  LEU  56          HD23      LEU  56 -20.908  15.166  -9.913
 1245    H    ASP  57           HN       ASP  57 -19.941  12.299  -9.319
 1246    HA   ASP  57           HA       ASP  57 -21.014   9.707  -9.652
 1247   1HB   ASP  57          HB2       ASP  57 -19.556  11.618 -11.382
 1248   2HB   ASP  57          HB1       ASP  57 -19.591   9.924 -11.863
 1249    H    GLU  58           HN       GLU  58 -17.821  10.968  -9.484
 1250    HA   GLU  58           HA       GLU  58 -16.276   8.760 -10.082
 1251   1HB   GLU  58          HB2       GLU  58 -15.320  10.990  -9.694
 1252   2HB   GLU  58          HB1       GLU  58 -15.746  10.884  -7.986
 1253   1HG   GLU  58          HG2       GLU  58 -14.226   8.968  -7.750
 1254   2HG   GLU  58          HG1       GLU  58 -13.781   9.123  -9.449
 1255    H    LYS  59           HN       LYS  59 -17.863   9.714  -7.129
 1256    HA   LYS  59           HA       LYS  59 -16.854   7.639  -5.532
 1257   1HB   LYS  59          HB2       LYS  59 -19.251   9.426  -5.258
 1258   2HB   LYS  59          HB1       LYS  59 -18.803   8.235  -4.040
 1259   1HG   LYS  59          HG2       LYS  59 -17.217   9.560  -3.202
 1260   2HG   LYS  59          HG1       LYS  59 -16.555   9.887  -4.806
 1261   1HD   LYS  59          HD2       LYS  59 -17.231  11.985  -3.978
 1262   2HD   LYS  59          HD1       LYS  59 -18.490  11.503  -5.119
 1263   1HE   LYS  59          HE2       LYS  59 -19.882  10.728  -3.271
 1264   2HE   LYS  59          HE1       LYS  59 -18.623  11.185  -2.124
 1265   1HZ   LYS  59          HZ1       LYS  59 -20.119  13.035  -3.900
 1266   2HZ   LYS  59          HZ2       LYS  59 -18.880  13.490  -2.843
 1267   3HZ   LYS  59          HZ3       LYS  59 -20.328  12.869  -2.229
 1268    H    MET  60           HN       MET  60 -19.462   7.866  -7.774
 1269    HA   MET  60           HA       MET  60 -20.746   5.435  -6.860
 1270   1HB   MET  60          HB2       MET  60 -21.215   7.136  -9.320
 1271   2HB   MET  60          HB1       MET  60 -22.216   5.771  -8.835
 1272   1HG   MET  60          HG2       MET  60 -21.786   8.270  -7.214
 1273   2HG   MET  60          HG1       MET  60 -23.193   7.937  -8.222
 1274   1HE   MET  60          HE1       MET  60 -23.312   8.713  -5.076
 1275   2HE   MET  60          HE2       MET  60 -24.593   7.615  -4.563
 1276   3HE   MET  60          HE3       MET  60 -24.722   8.464  -6.103
 1277    H    LYS  61           HN       LYS  61 -18.599   6.392  -9.474
 1278    HA   LYS  61           HA       LYS  61 -18.749   3.877 -10.848
 1279   1HB   LYS  61          HB2       LYS  61 -16.276   5.376 -11.279
 1280   2HB   LYS  61          HB1       LYS  61 -17.475   4.829 -12.436
 1281   1HG   LYS  61          HG2       LYS  61 -18.883   6.786 -11.775
 1282   2HG   LYS  61          HG1       LYS  61 -17.517   7.347 -10.803
 1283   1HD   LYS  61          HD2       LYS  61 -16.118   7.423 -12.806
 1284   2HD   LYS  61          HD1       LYS  61 -17.467   6.838 -13.780
 1285   1HE   LYS  61          HE2       LYS  61 -18.745   8.839 -13.234
 1286   2HE   LYS  61          HE1       LYS  61 -17.424   9.419 -12.220
 1287   1HZ   LYS  61          HZ1       LYS  61 -17.306   8.976 -15.155
 1288   2HZ   LYS  61          HZ2       LYS  61 -16.011   9.486 -14.194
 1289   3HZ   LYS  61          HZ3       LYS  61 -17.369  10.477 -14.375
 1290    H    THR  62           HN       THR  62 -16.397   5.406  -8.733
 1291    HA   THR  62           HA       THR  62 -14.410   3.544  -8.738
 1292    HB   THR  62           HB       THR  62 -15.389   5.109  -6.357
 1293    HG1  THR  62           HG1      THR  62 -14.779   6.323  -8.264
 1294   1HG2  THR  62          HG21      THR  62 -13.044   4.874  -5.572
 1295   2HG2  THR  62          HG22      THR  62 -12.752   3.741  -6.888
 1296   3HG2  THR  62          HG23      THR  62 -13.914   3.343  -5.623
 1297    H    LEU  63           HN       LEU  63 -17.578   3.202  -7.335
 1298    HA   LEU  63           HA       LEU  63 -17.167   1.269  -5.406
 1299   1HB   LEU  63          HB2       LEU  63 -19.395   1.739  -7.345
 1300   2HB   LEU  63          HB1       LEU  63 -19.396   0.280  -6.377
 1301    HG   LEU  63           HG       LEU  63 -19.052   2.047  -4.407
 1302   1HD1  LEU  63          HD11      LEU  63 -19.133   3.831  -6.306
 1303   2HD1  LEU  63          HD12      LEU  63 -19.946   4.125  -4.769
 1304   3HD1  LEU  63          HD13      LEU  63 -20.876   3.601  -6.173
 1305   1HD2  LEU  63          HD21      LEU  63 -20.915   0.341  -4.894
 1306   2HD2  LEU  63          HD22      LEU  63 -21.796   1.713  -5.565
 1307   3HD2  LEU  63          HD23      LEU  63 -21.297   1.727  -3.873
 1308    H    ASP  64           HN       ASP  64 -18.370   0.383  -8.612
 1309    HA   ASP  64           HA       ASP  64 -17.600  -2.275  -8.539
 1310   1HB   ASP  64          HB2       ASP  64 -17.739  -0.498 -10.981
 1311   2HB   ASP  64          HB1       ASP  64 -17.769  -2.257 -10.991
 1312    H    VAL  65           HN       VAL  65 -15.729   0.566  -9.443
 1313    HA   VAL  65           HA       VAL  65 -13.503  -0.678 -10.577
 1314    HB   VAL  65           HB       VAL  65 -13.542   1.815  -8.859
 1315   1HG1  VAL  65          HG11      VAL  65 -11.461   2.401  -9.995
 1316   2HG1  VAL  65          HG12      VAL  65 -11.492   0.864 -10.858
 1317   3HG1  VAL  65          HG13      VAL  65 -11.294   0.887  -9.106
 1318   1HG2  VAL  65          HG21      VAL  65 -13.741   1.501 -11.853
 1319   2HG2  VAL  65          HG22      VAL  65 -13.667   3.029 -10.976
 1320   3HG2  VAL  65          HG23      VAL  65 -15.055   1.962 -10.772
 1321    H    ASN  66           HN       ASN  66 -13.510   0.686  -7.284
 1322    HA   ASN  66           HA       ASN  66 -11.559  -1.274  -6.441
 1323   1HB   ASN  66          HB2       ASN  66 -12.930   0.719  -4.658
 1324   2HB   ASN  66          HB1       ASN  66 -11.365  -0.053  -4.437
 1325   1HD2  ASN  66          HD21      ASN  66 -10.617   0.348  -7.257
 1326   2HD2  ASN  66          HD22      ASN  66 -10.212   2.020  -7.393
 1327    H    GLN  67           HN       GLN  67 -14.357  -2.156  -7.103
 1328    HA   GLN  67           HA       GLN  67 -15.989  -2.752  -5.052
 1329   1HB   GLN  67          HB2       GLN  67 -16.684  -3.513  -7.124
 1330   2HB   GLN  67          HB1       GLN  67 -15.147  -4.261  -7.489
 1331   1HG   GLN  67          HG2       GLN  67 -17.019  -5.332  -5.406
 1332   2HG   GLN  67          HG1       GLN  67 -17.130  -5.782  -7.101
 1333   1HE2  GLN  67          HE21      GLN  67 -14.306  -5.866  -7.615
 1334   2HE2  GLN  67          HE22      GLN  67 -13.679  -7.241  -6.790
 1335    H    ASP  68           HN       ASP  68 -13.238  -4.827  -5.980
 1336    HA   ASP  68           HA       ASP  68 -13.318  -6.115  -3.386
 1337   1HB   ASP  68          HB2       ASP  68 -12.039  -6.675  -5.979
 1338   2HB   ASP  68          HB1       ASP  68 -11.073  -7.094  -4.572
 1339    H    SER  69           HN       SER  69 -12.704  -3.279  -3.341
 1340    HA   SER  69           HA       SER  69 -10.032  -2.604  -3.327
 1341   1HB   SER  69          HB2       SER  69 -11.883  -0.999  -2.846
 1342   2HB   SER  69          HB1       SER  69 -12.057  -1.728  -1.249
 1343    HG   SER  69           HG       SER  69  -9.872  -1.105  -0.849
 1344    H    GLU  70           HN       GLU  70 -11.735  -4.666  -1.181
 1345    HA   GLU  70           HA       GLU  70  -9.244  -5.121   0.311
 1346   1HB   GLU  70          HB2       GLU  70 -10.555  -4.265   2.029
 1347   2HB   GLU  70          HB1       GLU  70 -12.024  -4.839   1.280
 1348   1HG   GLU  70          HG2       GLU  70 -11.505  -7.132   1.930
 1349   2HG   GLU  70          HG1       GLU  70 -10.010  -6.580   2.680
 1350    H    LEU  71           HN       LEU  71  -9.012  -7.301   1.034
 1351    HA   LEU  71           HA       LEU  71 -10.845  -9.159  -0.151
 1352   1HB   LEU  71          HB2       LEU  71  -9.200  -8.798  -1.764
 1353   2HB   LEU  71          HB1       LEU  71  -7.919  -8.926  -0.586
 1354    HG   LEU  71           HG       LEU  71  -8.253 -10.799  -2.086
 1355   1HD1  LEU  71          HD11      LEU  71  -6.996 -11.853  -0.668
 1356   2HD1  LEU  71          HD12      LEU  71  -8.435 -12.322   0.209
 1357   3HD1  LEU  71          HD13      LEU  71  -7.616 -10.833   0.622
 1358   1HD2  LEU  71          HD21      LEU  71 -10.055 -12.379  -1.373
 1359   2HD2  LEU  71          HD22      LEU  71 -10.492 -11.023  -2.349
 1360   3HD2  LEU  71          HD23      LEU  71 -10.774 -10.991  -0.642
 1361    H    ARG  72           HN       ARG  72 -11.244 -10.900   1.034
 1362    HA   ARG  72           HA       ARG  72  -9.513 -11.565   3.305
 1363   1HB   ARG  72          HB2       ARG  72 -12.158 -12.873   2.850
 1364   2HB   ARG  72          HB1       ARG  72 -11.356 -12.506   4.370
 1365   1HG   ARG  72          HG2       ARG  72 -12.901 -10.682   2.582
 1366   2HG   ARG  72          HG1       ARG  72 -13.270 -11.145   4.238
 1367   1HD   ARG  72          HD2       ARG  72 -11.119  -9.324   3.231
 1368   2HD   ARG  72          HD1       ARG  72 -12.416  -8.976   4.367
 1369    HE   ARG  72           HE       ARG  72 -11.042 -10.871   5.668
 1370   1HH1  ARG  72          HH11      ARG  72 -10.036  -7.952   4.061
 1371   2HH1  ARG  72          HH12      ARG  72  -8.682  -7.693   5.103
 1372   1HH2  ARG  72          HH21      ARG  72  -9.258 -10.538   7.051
 1373   2HH2  ARG  72          HH22      ARG  72  -8.237  -9.161   6.806
 1374    H    PHE  73           HN       PHE  73 -10.936 -12.659   0.309
 1375    HA   PHE  73           HA       PHE  73  -9.674 -15.244   0.515
 1376   1HB   PHE  73          HB2       PHE  73 -11.157 -16.025  -1.125
 1377   2HB   PHE  73          HB1       PHE  73 -12.081 -15.043  -0.067
 1378    HD1  PHE  73           HD1      PHE  73 -11.743 -15.975  -3.332
 1379    HD2  PHE  73           HD2      PHE  73 -12.194 -12.444  -1.037
 1380    HE1  PHE  73           HE1      PHE  73 -12.660 -14.794  -5.284
 1381    HE2  PHE  73           HE2      PHE  73 -13.075 -11.255  -2.928
 1382    HZ   PHE  73           HZ       PHE  73 -13.341 -12.432  -5.094
 1383    H    SER  74           HN       SER  74  -9.906 -13.748  -2.792
 1384    HA   SER  74           HA       SER  74  -6.988 -14.019  -2.834
 1385   1HB   SER  74          HB2       SER  74  -7.436 -14.470  -5.407
 1386   2HB   SER  74          HB1       SER  74  -7.413 -15.780  -4.228
 1387    HG   SER  74           HG       SER  74  -9.451 -14.892  -5.762
 1388    H    GLU  75           HN       GLU  75  -9.601 -12.053  -3.600
 1389    HA   GLU  75           HA       GLU  75  -8.459 -10.429  -5.593
 1390   1HB   GLU  75          HB2       GLU  75 -10.470  -9.667  -3.495
 1391   2HB   GLU  75          HB1       GLU  75 -10.225  -8.862  -5.038
 1392   1HG   GLU  75          HG2       GLU  75 -10.955 -11.751  -4.932
 1393   2HG   GLU  75          HG1       GLU  75 -12.191 -10.510  -4.759
 1394    H    TYR  76           HN       TYR  76  -6.628 -10.806  -3.120
 1395    HA   TYR  76           HA       TYR  76  -6.576  -8.391  -1.774
 1396   1HB   TYR  76          HB2       TYR  76  -4.974 -10.762  -1.778
 1397   2HB   TYR  76          HB1       TYR  76  -3.973  -9.345  -1.573
 1398    HD1  TYR  76           HD1      TYR  76  -4.788 -11.779   0.291
 1399    HD2  TYR  76           HD2      TYR  76  -5.981  -7.732  -0.008
 1400    HE1  TYR  76           HE1      TYR  76  -5.516 -11.824   2.626
 1401    HE2  TYR  76           HE2      TYR  76  -6.722  -7.742   2.304
 1402    HH   TYR  76           HH       TYR  76  -5.875 -10.223   4.479
 1403    H    TRP  77           HN       TRP  77  -5.385  -9.494  -4.779
 1404    HA   TRP  77           HA       TRP  77  -3.352  -7.642  -5.337
 1405   1HB   TRP  77          HB2       TRP  77  -3.828  -8.109  -7.685
 1406   2HB   TRP  77          HB1       TRP  77  -3.969  -9.605  -6.760
 1407    HD1  TRP  77           HD1      TRP  77  -6.366  -6.793  -7.936
 1408    HE1  TRP  77           HE1      TRP  77  -8.575  -7.876  -8.619
 1409    HE3  TRP  77           HE3      TRP  77  -5.274 -11.656  -6.838
 1410    HZ2  TRP  77           HZ2      TRP  77  -9.738 -10.455  -8.681
 1411    HZ3  TRP  77           HZ3      TRP  77  -6.988 -13.368  -7.216
 1412    HH2  TRP  77           HH2      TRP  77  -9.176 -12.781  -8.119
 1413    H    ARG  78           HN       ARG  78  -6.725  -7.090  -4.869
 1414    HA   ARG  78           HA       ARG  78  -6.865  -4.762  -6.473
 1415   1HB   ARG  78          HB2       ARG  78  -8.651  -5.979  -4.398
 1416   2HB   ARG  78          HB1       ARG  78  -9.008  -4.400  -5.098
 1417   1HG   ARG  78          HG2       ARG  78  -8.529  -6.792  -6.821
 1418   2HG   ARG  78          HG1       ARG  78 -10.101  -6.469  -6.122
 1419   1HD   ARG  78          HD2       ARG  78 -10.124  -5.540  -8.293
 1420   2HD   ARG  78          HD1       ARG  78  -9.997  -4.198  -7.157
 1421    HE   ARG  78           HE       ARG  78  -7.494  -5.187  -8.236
 1422   1HH1  ARG  78          HH11      ARG  78 -10.080  -2.860  -8.527
 1423   2HH1  ARG  78          HH12      ARG  78  -9.134  -1.739  -9.445
 1424   1HH2  ARG  78          HH21      ARG  78  -6.251  -3.713  -9.448
 1425   2HH2  ARG  78          HH22      ARG  78  -6.963  -2.223  -9.969
 1426    H    LEU  79           HN       LEU  79  -6.372  -5.525  -3.150
 1427    HA   LEU  79           HA       LEU  79  -6.323  -2.964  -2.014
 1428   1HB   LEU  79          HB2       LEU  79  -4.872  -5.510  -1.303
 1429   2HB   LEU  79          HB1       LEU  79  -4.839  -4.081  -0.291
 1430    HG   LEU  79           HG       LEU  79  -7.371  -4.318  -0.240
 1431   1HD1  LEU  79          HD11      LEU  79  -7.731  -6.977  -0.398
 1432   2HD1  LEU  79          HD12      LEU  79  -6.691  -6.641  -1.768
 1433   3HD1  LEU  79          HD13      LEU  79  -8.227  -5.801  -1.613
 1434   1HD2  LEU  79          HD21      LEU  79  -6.094  -4.725   1.722
 1435   2HD2  LEU  79          HD22      LEU  79  -5.567  -6.282   1.112
 1436   3HD2  LEU  79          HD23      LEU  79  -7.256  -6.038   1.560
 1437    H    ILE  80           HN       ILE  80  -4.158  -4.691  -4.027
 1438    HA   ILE  80           HA       ILE  80  -1.706  -3.639  -3.504
 1439    HB   ILE  80           HB       ILE  80  -2.711  -5.313  -5.373
 1440   1HG1  ILE  80          HG12      ILE  80  -0.116  -3.847  -5.880
 1441   2HG1  ILE  80          HG11      ILE  80  -0.323  -4.971  -4.539
 1442   1HG2  ILE  80          HG21      ILE  80  -3.659  -3.664  -6.825
 1443   2HG2  ILE  80          HG22      ILE  80  -2.253  -4.364  -7.621
 1444   3HG2  ILE  80          HG23      ILE  80  -2.146  -2.765  -6.888
 1445   1HD1  ILE  80          HD11      ILE  80  -0.819  -6.759  -6.106
 1446   2HD1  ILE  80          HD12      ILE  80   0.744  -6.021  -6.459
 1447   3HD1  ILE  80          HD13      ILE  80  -0.660  -5.633  -7.454
 1448    H    GLY  81           HN       GLY  81  -4.172  -2.228  -5.680
 1449   1HA   GLY  81          HA2       GLY  81  -2.693   0.250  -5.898
 1450   2HA   GLY  81          HA1       GLY  81  -4.246  -0.109  -6.637
 1451    H    GLU  82           HN       GLU  82  -4.710  -0.993  -3.539
 1452    HA   GLU  82           HA       GLU  82  -6.183   1.390  -2.917
 1453   1HB   GLU  82          HB2       GLU  82  -5.752  -1.159  -1.437
 1454   2HB   GLU  82          HB1       GLU  82  -6.809   0.121  -0.871
 1455   1HG   GLU  82          HG2       GLU  82  -7.140  -1.676  -3.243
 1456   2HG   GLU  82          HG1       GLU  82  -8.238  -1.407  -1.894
 1457    H    LEU  83           HN       LEU  83  -3.787  -0.503  -1.113
 1458    HA   LEU  83           HA       LEU  83  -3.265   1.344   0.883
 1459   1HB   LEU  83          HB2       LEU  83  -1.507  -0.726  -0.409
 1460   2HB   LEU  83          HB1       LEU  83  -0.949   0.271   0.919
 1461    HG   LEU  83           HG       LEU  83  -2.632  -0.661   2.389
 1462   1HD1  LEU  83          HD11      LEU  83  -4.429  -0.996   0.795
 1463   2HD1  LEU  83          HD12      LEU  83  -4.079  -2.499   1.651
 1464   3HD1  LEU  83          HD13      LEU  83  -3.509  -2.271  -0.003
 1465   1HD2  LEU  83          HD21      LEU  83  -0.983  -2.648   0.852
 1466   2HD2  LEU  83          HD22      LEU  83  -1.882  -3.073   2.308
 1467   3HD2  LEU  83          HD23      LEU  83  -0.600  -1.865   2.385
 1468    H    ALA  84           HN       ALA  84  -2.346   1.252  -2.429
 1469    HA   ALA  84           HA       ALA  84  -0.212   3.105  -2.216
 1470   1HB   ALA  84          HB1       ALA  84  -1.525   3.063  -4.793
 1471   2HB   ALA  84          HB2       ALA  84  -1.198   1.447  -4.167
 1472   3HB   ALA  84          HB3       ALA  84   0.118   2.605  -4.348
 1473    H    LYS  85           HN       LYS  85  -3.668   3.435  -2.955
 1474    HA   LYS  85           HA       LYS  85  -3.978   5.991  -3.837
 1475   1HB   LYS  85          HB2       LYS  85  -5.570   4.913  -1.556
 1476   2HB   LYS  85          HB1       LYS  85  -6.090   6.093  -2.750
 1477   1HG   LYS  85          HG2       LYS  85  -5.845   4.319  -4.491
 1478   2HG   LYS  85          HG1       LYS  85  -5.547   3.168  -3.194
 1479   1HD   LYS  85          HD2       LYS  85  -8.047   4.731  -3.751
 1480   2HD   LYS  85          HD1       LYS  85  -7.839   2.982  -3.749
 1481   1HE   LYS  85          HE2       LYS  85  -7.778   4.838  -1.376
 1482   2HE   LYS  85          HE1       LYS  85  -8.985   3.606  -1.740
 1483   1HZ   LYS  85          HZ1       LYS  85  -7.313   1.910  -1.424
 1484   2HZ   LYS  85          HZ2       LYS  85  -7.426   2.876  -0.042
 1485   3HZ   LYS  85          HZ3       LYS  85  -6.134   3.083  -1.112
 1486    H    GLU  86           HN       GLU  86  -3.526   5.098  -0.588
 1487    HA   GLU  86           HA       GLU  86  -3.548   7.599   0.576
 1488   1HB   GLU  86          HB2       GLU  86  -1.633   5.515   1.533
 1489   2HB   GLU  86          HB1       GLU  86  -2.601   6.642   2.463
 1490   1HG   GLU  86          HG2       GLU  86  -3.542   4.173   1.044
 1491   2HG   GLU  86          HG1       GLU  86  -3.461   4.453   2.764
 1492    H    VAL  87           HN       VAL  87  -0.734   5.710  -0.459
 1493    HA   VAL  87           HA       VAL  87   1.014   7.935  -0.053
 1494    HB   VAL  87           HB       VAL  87   2.015   5.609  -1.584
 1495   1HG1  VAL  87          HG11      VAL  87   3.810   5.955   0.247
 1496   2HG1  VAL  87          HG12      VAL  87   2.956   7.463   0.573
 1497   3HG1  VAL  87          HG13      VAL  87   3.645   7.167  -1.021
 1498   1HG2  VAL  87          HG21      VAL  87   2.287   4.335   0.567
 1499   2HG2  VAL  87          HG22      VAL  87   0.636   4.403  -0.048
 1500   3HG2  VAL  87          HG23      VAL  87   1.121   5.440   1.294
 1501    H    ARG  88           HN       ARG  88  -1.153   7.476  -2.404
 1502    HA   ARG  88           HA       ARG  88   0.477   8.137  -4.687
 1503   1HB   ARG  88          HB2       ARG  88  -1.617   6.787  -4.857
 1504   2HB   ARG  88          HB1       ARG  88  -2.533   8.217  -4.396
 1505   1HG   ARG  88          HG2       ARG  88  -1.873   9.367  -6.389
 1506   2HG   ARG  88          HG1       ARG  88  -0.763   8.065  -6.825
 1507   1HD   ARG  88          HD2       ARG  88  -2.830   7.938  -8.117
 1508   2HD   ARG  88          HD1       ARG  88  -2.641   6.532  -7.070
 1509    HE   ARG  88           HE       ARG  88  -4.166   8.455  -5.718
 1510   1HH1  ARG  88          HH11      ARG  88  -4.389   6.328  -8.465
 1511   2HH1  ARG  88          HH12      ARG  88  -6.109   6.162  -8.363
 1512   1HH2  ARG  88          HH21      ARG  88  -6.435   8.245  -5.575
 1513   2HH2  ARG  88          HH22      ARG  88  -7.272   7.253  -6.722
 1514    H    LYS  89           HN       LYS  89  -2.314   9.848  -3.267
 1515    HA   LYS  89           HA       LYS  89  -1.745  12.340  -4.369
 1516   1HB   LYS  89          HB2       LYS  89  -3.310  13.240  -2.838
 1517   2HB   LYS  89          HB1       LYS  89  -3.857  11.602  -3.159
 1518   1HG   LYS  89          HG2       LYS  89  -2.219  11.298  -0.929
 1519   2HG   LYS  89          HG1       LYS  89  -3.052  12.842  -0.662
 1520   1HD   LYS  89          HD2       LYS  89  -4.571  11.355   0.227
 1521   2HD   LYS  89          HD1       LYS  89  -5.157  11.519  -1.416
 1522   1HE   LYS  89          HE2       LYS  89  -3.185   9.459  -1.200
 1523   2HE   LYS  89          HE1       LYS  89  -4.551   9.171  -0.125
 1524   1HZ   LYS  89          HZ1       LYS  89  -4.555   9.442  -3.065
 1525   2HZ   LYS  89          HZ2       LYS  89  -5.963   9.722  -2.172
 1526   3HZ   LYS  89          HZ3       LYS  89  -5.215   8.208  -2.114
 1527    H    GLU  90           HN       GLU  90  -0.512  10.725  -1.571
 1528    HA   GLU  90           HA       GLU  90   0.696  12.928  -0.302
 1529   1HB   GLU  90          HB2       GLU  90   0.993   9.953  -0.155
 1530   2HB   GLU  90          HB1       GLU  90   2.070  11.002   0.766
 1531   1HG   GLU  90          HG2       GLU  90  -0.942  11.033   0.927
 1532   2HG   GLU  90          HG1       GLU  90   0.125  10.186   2.056
 1533    H    LYS  91           HN       LYS  91   1.453  11.357  -3.199
 1534    HA   LYS  91           HA       LYS  91   4.248  11.448  -3.184
 1535   1HB   LYS  91          HB2       LYS  91   4.160  11.077  -5.474
 1536   2HB   LYS  91          HB1       LYS  91   2.690  10.335  -4.877
 1537   1HG   LYS  91          HG2       LYS  91   1.378  12.202  -5.633
 1538   2HG   LYS  91          HG1       LYS  91   2.836  13.079  -6.105
 1539   1HD   LYS  91          HD2       LYS  91   3.349  11.348  -7.756
 1540   2HD   LYS  91          HD1       LYS  91   1.902  10.458  -7.277
 1541   1HE   LYS  91          HE2       LYS  91   1.475  11.719  -9.302
 1542   2HE   LYS  91          HE1       LYS  91   0.516  12.365  -7.971
 1543   1HZ   LYS  91          HZ1       LYS  91   1.529  14.121  -9.295
 1544   2HZ   LYS  91          HZ2       LYS  91   3.071  13.512  -8.960
 1545   3HZ   LYS  91          HZ3       LYS  91   2.122  14.140  -7.710
 1546    H    ALA  92           HN       ALA  92   1.827  13.822  -4.093
 1547    HA   ALA  92           HA       ALA  92   3.815  15.828  -4.708
 1548   1HB   ALA  92          HB1       ALA  92   1.897  17.301  -5.112
 1549   2HB   ALA  92          HB2       ALA  92   0.815  16.046  -4.504
 1550   3HB   ALA  92          HB3       ALA  92   1.745  15.772  -5.977
 1551    H    LEU  93           HN       LEU  93   1.673  15.101  -1.997
 1552    HA   LEU  93           HA       LEU  93   2.331  17.573  -0.667
 1553   1HB   LEU  93          HB2       LEU  93   0.145  16.506  -0.333
 1554   2HB   LEU  93          HB1       LEU  93   0.946  15.132   0.421
 1555    HG   LEU  93           HG       LEU  93   1.578  17.768   1.588
 1556   1HD1  LEU  93          HD11      LEU  93  -1.157  16.530   1.905
 1557   2HD1  LEU  93          HD12      LEU  93  -0.789  18.089   1.165
 1558   3HD1  LEU  93          HD13      LEU  93  -0.507  17.843   2.888
 1559   1HD2  LEU  93          HD21      LEU  93   2.443  15.672   2.500
 1560   2HD2  LEU  93          HD22      LEU  93   0.794  15.108   2.776
 1561   3HD2  LEU  93          HD23      LEU  93   1.409  16.503   3.663
 1562    H    GLY  94           HN       GLY  94   3.556  14.323  -0.701
 1563   1HA   GLY  94          HA2       GLY  94   4.782  13.960   1.694
 1564   2HA   GLY  94          HA1       GLY  94   5.550  13.526   0.165
 1565    H    ILE  95           HN       ILE  95   5.876  16.092  -0.876
 1566    HA   ILE  95           HA       ILE  95   8.302  16.837   0.346
 1567    HB   ILE  95           HB       ILE  95   8.175  18.802  -1.229
 1568   1HG1  ILE  95          HG12      ILE  95   5.862  17.311  -2.431
 1569   2HG1  ILE  95          HG11      ILE  95   5.616  18.667  -1.337
 1570   1HG2  ILE  95          HG21      ILE  95   7.867  16.087  -2.403
 1571   2HG2  ILE  95          HG22      ILE  95   9.336  16.711  -1.656
 1572   3HG2  ILE  95          HG23      ILE  95   8.706  17.456  -3.128
 1573   1HD1  ILE  95          HD11      ILE  95   6.816  20.128  -2.862
 1574   2HD1  ILE  95          HD12      ILE  95   5.465  19.339  -3.676
 1575   3HD1  ILE  95          HD13      ILE  95   7.112  18.769  -3.946
 1576    H    ARG  96           HN       ARG  96   7.022  17.052   2.496
 1577    HA   ARG  96           HA       ARG  96   5.570  19.416   2.963
 1578   1HB   ARG  96          HB2       ARG  96   7.053  17.489   4.713
 1579   2HB   ARG  96          HB1       ARG  96   6.420  18.984   5.394
 1580   1HG   ARG  96          HG2       ARG  96   4.834  16.861   3.966
 1581   2HG   ARG  96          HG1       ARG  96   4.840  17.176   5.709
 1582   1HD   ARG  96          HD2       ARG  96   4.104  19.552   5.082
 1583   2HD   ARG  96          HD1       ARG  96   3.749  18.886   3.492
 1584    HE   ARG  96           HE       ARG  96   2.519  17.338   5.523
 1585   1HH1  ARG  96          HH11      ARG  96   2.242  20.365   3.817
 1586   2HH1  ARG  96          HH12      ARG  96   0.528  20.479   4.033
 1587   1HH2  ARG  96          HH21      ARG  96   0.259  17.482   5.813
 1588   2HH2  ARG  96          HH22      ARG  96  -0.599  18.841   5.168
 1589    H    LYS  97           HN       LYS  97   8.878  18.816   2.392
 1590    HA   LYS  97           HA       LYS  97   9.696  21.372   3.497
 1591   1HB   LYS  97          HB2       LYS  97  11.954  20.449   2.330
 1592   2HB   LYS  97          HB1       LYS  97  11.490  20.074   3.982
 1593   1HG   LYS  97          HG2       LYS  97  10.626  18.309   1.727
 1594   2HG   LYS  97          HG1       LYS  97  12.244  18.167   2.419
 1595   1HD   LYS  97          HD2       LYS  97  11.436  17.505   4.494
 1596   2HD   LYS  97          HD1       LYS  97   9.836  18.187   4.197
 1597   1HE   LYS  97          HE2       LYS  97   9.237  16.429   2.761
 1598   2HE   LYS  97          HE1       LYS  97  10.901  15.874   2.599
 1599   1HZ   LYS  97          HZ1       LYS  97   9.646  14.429   4.062
 1600   2HZ   LYS  97          HZ2       LYS  97   9.244  15.730   5.064
 1601   3HZ   LYS  97          HZ3       LYS  97  10.853  15.225   4.943
 1602    H    LYS  98           HN       LYS  98   8.494  22.662   2.077
 1603    HA   LYS  98           HA       LYS  98   9.363  22.630  -0.727
 1604   1HB   LYS  98          HB2       LYS  98   7.033  24.164   0.420
 1605   2HB   LYS  98          HB1       LYS  98   7.350  23.783  -1.267
 1606   1HG   LYS  98          HG2       LYS  98   6.999  21.391  -0.757
 1607   2HG   LYS  98          HG1       LYS  98   6.581  21.833   0.900
 1608   1HD   LYS  98          HD2       LYS  98   4.710  23.163   0.090
 1609   2HD   LYS  98          HD1       LYS  98   5.144  22.782  -1.578
 1610   1HE   LYS  98          HE2       LYS  98   4.782  20.391  -1.090
 1611   2HE   LYS  98          HE1       LYS  98   4.268  20.822   0.540
 1612   1HZ   LYS  98          HZ1       LYS  98   2.943  21.709  -1.965
 1613   2HZ   LYS  98          HZ2       LYS  98   2.440  22.081  -0.394
 1614   3HZ   LYS  98          HZ3       LYS  98   2.384  20.482  -0.942
  Start of MODEL   18
    1   1H    MET   1          HT1       MET   1 -18.387   4.313  -4.405
    2   2H    MET   1          HT2       MET   1 -19.333   4.904  -3.140
    3   3H    MET   1          HT3       MET   1 -18.113   3.778  -2.824
    4    HA   MET   1           HA       MET   1 -17.780   6.586  -3.695
    5   1HB   MET   1          HB2       MET   1 -17.322   5.092  -1.181
    6   2HB   MET   1          HB1       MET   1 -16.190   6.331  -1.597
    7   1HG   MET   1          HG2       MET   1 -18.184   6.876  -0.057
    8   2HG   MET   1          HG1       MET   1 -17.708   8.043  -1.265
    9   1HE   MET   1          HE1       MET   1 -19.285   9.353  -2.006
   10   2HE   MET   1          HE2       MET   1 -20.912   8.993  -2.579
   11   3HE   MET   1          HE3       MET   1 -19.517   8.585  -3.574
   12    H    ALA   2           HN       ALA   2 -15.703   7.262  -4.096
   13    HA   ALA   2           HA       ALA   2 -13.814   5.143  -4.796
   14   1HB   ALA   2          HB1       ALA   2 -12.892   6.771  -6.468
   15   2HB   ALA   2          HB2       ALA   2 -14.288   7.795  -6.134
   16   3HB   ALA   2          HB3       ALA   2 -14.517   6.182  -6.805
   17    H    ALA   3           HN       ALA   3 -11.829   5.190  -3.930
   18    HA   ALA   3           HA       ALA   3 -11.275   7.036  -1.839
   19   1HB   ALA   3          HB1       ALA   3  -9.400   5.096  -3.199
   20   2HB   ALA   3          HB2       ALA   3 -10.444   4.712  -1.831
   21   3HB   ALA   3          HB3       ALA   3  -9.140   5.885  -1.643
   22    H    GLU   4           HN       GLU   4 -11.169   9.092  -2.516
   23    HA   GLU   4           HA       GLU   4  -9.915   9.931  -4.909
   24   1HB   GLU   4          HB2       GLU   4 -11.721  11.188  -3.871
   25   2HB   GLU   4          HB1       GLU   4 -10.710  11.498  -2.473
   26   1HG   GLU   4          HG2       GLU   4 -10.961  13.363  -4.167
   27   2HG   GLU   4          HG1       GLU   4  -9.330  12.968  -3.629
   28    H    THR   5           HN       THR   5  -8.930  11.299  -1.763
   29    HA   THR   5           HA       THR   5  -6.189  11.195  -2.729
   30    HB   THR   5           HB       THR   5  -7.305  12.502  -0.254
   31    HG1  THR   5           HG1      THR   5  -7.732  13.314  -2.541
   32   1HG2  THR   5          HG21      THR   5  -5.195  13.479   0.114
   33   2HG2  THR   5          HG22      THR   5  -4.585  12.932  -1.445
   34   3HG2  THR   5          HG23      THR   5  -4.877  11.767  -0.155
   35    H    LEU   6           HN       LEU   6  -6.794  10.987   0.729
   36    HA   LEU   6           HA       LEU   6  -5.246   8.492   0.761
   37   1HB   LEU   6          HB2       LEU   6  -5.771  10.385   3.051
   38   2HB   LEU   6          HB1       LEU   6  -4.629   9.061   3.027
   39    HG   LEU   6           HG       LEU   6  -3.799  10.633   0.935
   40   1HD1  LEU   6          HD11      LEU   6  -5.449  12.348   1.770
   41   2HD1  LEU   6          HD12      LEU   6  -3.781  12.906   1.670
   42   3HD1  LEU   6          HD13      LEU   6  -4.470  12.467   3.231
   43   1HD2  LEU   6          HD21      LEU   6  -1.929  11.203   2.380
   44   2HD2  LEU   6          HD22      LEU   6  -2.391   9.516   2.597
   45   3HD2  LEU   6          HD23      LEU   6  -2.862  10.719   3.797
   46    H    THR   7           HN       THR   7  -6.462   6.717   1.041
   47    HA   THR   7           HA       THR   7  -8.986   6.930   2.322
   48    HB   THR   7           HB       THR   7  -8.284   4.217   2.390
   49    HG1  THR   7           HG1      THR   7  -7.577   3.928   0.166
   50   1HG2  THR   7          HG21      THR   7  -9.781   5.555   0.148
   51   2HG2  THR   7          HG22      THR   7 -10.473   5.249   1.738
   52   3HG2  THR   7          HG23      THR   7  -9.957   3.902   0.732
   53    H    GLU   8           HN       GLU   8  -9.473   5.499   4.293
   54    HA   GLU   8           HA       GLU   8  -8.122   6.336   6.497
   55   1HB   GLU   8          HB2       GLU   8  -9.095   3.517   6.513
   56   2HB   GLU   8          HB1       GLU   8  -9.177   4.729   7.774
   57   1HG   GLU   8          HG2       GLU   8 -10.849   4.603   5.281
   58   2HG   GLU   8          HG1       GLU   8 -11.376   4.335   6.940
   59    H    LEU   9           HN       LEU   9  -7.080   3.887   4.281
   60    HA   LEU   9           HA       LEU   9  -5.297   2.415   5.781
   61   1HB   LEU   9          HB2       LEU   9  -4.714   3.320   3.000
   62   2HB   LEU   9          HB1       LEU   9  -4.315   1.787   3.733
   63    HG   LEU   9           HG       LEU   9  -6.926   2.757   2.649
   64   1HD1  LEU   9          HD11      LEU   9  -4.996   0.616   2.039
   65   2HD1  LEU   9          HD12      LEU   9  -5.990   1.607   0.974
   66   3HD1  LEU   9          HD13      LEU   9  -6.707   0.244   1.826
   67   1HD2  LEU   9          HD21      LEU   9  -6.523   0.983   4.933
   68   2HD2  LEU   9          HD22      LEU   9  -7.562   0.333   3.666
   69   3HD2  LEU   9          HD23      LEU   9  -7.948   1.881   4.416
   70    H    GLU  10           HN       GLU  10  -5.058   5.717   4.699
   71    HA   GLU  10           HA       GLU  10  -2.301   6.092   4.688
   72   1HB   GLU  10          HB2       GLU  10  -2.910   8.451   5.525
   73   2HB   GLU  10          HB1       GLU  10  -3.534   7.915   3.974
   74   1HG   GLU  10          HG2       GLU  10  -5.593   8.293   4.619
   75   2HG   GLU  10          HG1       GLU  10  -5.396   7.205   5.992
   76    H    ALA  11           HN       ALA  11  -4.541   5.657   7.305
   77    HA   ALA  11           HA       ALA  11  -2.830   6.402   9.443
   78   1HB   ALA  11          HB1       ALA  11  -5.438   5.562   9.263
   79   2HB   ALA  11          HB2       ALA  11  -4.542   5.766  10.766
   80   3HB   ALA  11          HB3       ALA  11  -4.649   4.177  10.012
   81    H    ALA  12           HN       ALA  12  -3.345   3.486   7.600
   82    HA   ALA  12           HA       ALA  12  -1.648   1.791   9.104
   83   1HB   ALA  12          HB1       ALA  12  -2.397   1.582   6.185
   84   2HB   ALA  12          HB2       ALA  12  -3.358   0.956   7.524
   85   3HB   ALA  12          HB3       ALA  12  -1.757   0.291   7.201
   86    H    ILE  13           HN       ILE  13  -1.168   4.093   6.494
   87    HA   ILE  13           HA       ILE  13   1.377   3.375   5.691
   88    HB   ILE  13           HB       ILE  13  -0.091   5.967   5.657
   89   1HG1  ILE  13          HG12      ILE  13   0.195   5.748   3.267
   90   2HG1  ILE  13          HG11      ILE  13   1.324   4.417   3.492
   91   1HG2  ILE  13          HG21      ILE  13   1.786   7.135   4.606
   92   2HG2  ILE  13          HG22      ILE  13   2.831   5.755   4.944
   93   3HG2  ILE  13          HG23      ILE  13   2.153   6.693   6.274
   94   1HD1  ILE  13          HD11      ILE  13  -0.410   2.995   4.308
   95   2HD1  ILE  13          HD12      ILE  13  -0.945   3.718   2.790
   96   3HD1  ILE  13          HD13      ILE  13  -1.557   4.331   4.325
   97    H    GLU  14           HN       GLU  14   0.268   4.756   8.642
   98    HA   GLU  14           HA       GLU  14   2.581   5.994   9.591
   99   1HB   GLU  14          HB2       GLU  14   0.421   4.534  11.123
  100   2HB   GLU  14          HB1       GLU  14   1.628   5.587  11.849
  101   1HG   GLU  14          HG2       GLU  14   0.759   7.464  10.522
  102   2HG   GLU  14          HG1       GLU  14  -0.481   6.399   9.862
  103    H    THR  15           HN       THR  15   1.639   2.605   9.462
  104    HA   THR  15           HA       THR  15   3.803   1.734  11.163
  105    HB   THR  15           HB       THR  15   2.173   0.083   9.220
  106    HG1  THR  15           HG1      THR  15   1.079  -0.482  11.279
  107   1HG2  THR  15          HG21      THR  15   4.210  -1.043   9.881
  108   2HG2  THR  15          HG22      THR  15   2.837  -1.793  10.697
  109   3HG2  THR  15          HG23      THR  15   3.892  -0.688  11.579
  110    H    VAL  16           HN       VAL  16   3.137   1.055   7.747
  111    HA   VAL  16           HA       VAL  16   5.482   0.034   6.876
  112    HB   VAL  16           HB       VAL  16   3.538   0.312   5.453
  113   1HG1  VAL  16          HG11      VAL  16   3.004   2.599   6.315
  114   2HG1  VAL  16          HG12      VAL  16   2.891   2.442   4.563
  115   3HG1  VAL  16          HG13      VAL  16   4.287   3.235   5.288
  116   1HG2  VAL  16          HG21      VAL  16   5.068  -0.018   3.863
  117   2HG2  VAL  16          HG22      VAL  16   6.243   1.029   4.647
  118   3HG2  VAL  16          HG23      VAL  16   5.022   1.716   3.576
  119    H    VAL  17           HN       VAL  17   4.810   3.486   7.285
  120    HA   VAL  17           HA       VAL  17   7.260   4.419   6.232
  121    HB   VAL  17           HB       VAL  17   5.244   5.828   6.488
  122   1HG1  VAL  17          HG11      VAL  17   4.628   4.995   8.753
  123   2HG1  VAL  17          HG12      VAL  17   4.612   6.751   8.607
  124   3HG1  VAL  17          HG13      VAL  17   5.958   5.945   9.413
  125   1HG2  VAL  17          HG21      VAL  17   7.404   6.866   6.135
  126   2HG2  VAL  17          HG22      VAL  17   7.725   6.844   7.869
  127   3HG2  VAL  17          HG23      VAL  17   6.431   7.854   7.224
  128    H    SER  18           HN       SER  18   6.114   3.661   9.497
  129    HA   SER  18           HA       SER  18   8.601   4.418  10.741
  130   1HB   SER  18          HB2       SER  18   6.140   3.067  11.865
  131   2HB   SER  18          HB1       SER  18   7.518   3.601  12.826
  132    HG   SER  18           HG       SER  18   5.436   5.035  11.872
  133    H    THR  19           HN       THR  19   7.398   1.575   9.278
  134    HA   THR  19           HA       THR  19   9.074  -0.202  10.837
  135    HB   THR  19           HB       THR  19   8.258  -2.005   9.365
  136    HG1  THR  19           HG1      THR  19   7.019   0.177   8.054
  137   1HG2  THR  19          HG21      THR  19   6.097  -0.236  10.513
  138   2HG2  THR  19          HG22      THR  19   7.027  -1.447  11.394
  139   3HG2  THR  19          HG23      THR  19   5.922  -1.944  10.113
  140    H    PHE  20           HN       PHE  20   8.788  -0.209   7.343
  141    HA   PHE  20           HA       PHE  20  11.536  -0.998   7.022
  142   1HB   PHE  20          HB2       PHE  20  10.034  -2.143   5.621
  143   2HB   PHE  20          HB1       PHE  20   9.186  -0.675   5.195
  144    HD1  PHE  20           HD1      PHE  20   9.239  -1.003   2.855
  145    HD2  PHE  20           HD2      PHE  20  12.854  -1.011   5.101
  146    HE1  PHE  20           HE1      PHE  20  10.526  -0.879   0.769
  147    HE2  PHE  20           HE2      PHE  20  14.154  -0.896   3.013
  148    HZ   PHE  20           HZ       PHE  20  12.985  -0.823   0.846
  149    H    PHE  21           HN       PHE  21   9.527   1.796   6.328
  150    HA   PHE  21           HA       PHE  21  11.554   3.095   4.860
  151   1HB   PHE  21          HB2       PHE  21   9.138   4.306   6.185
  152   2HB   PHE  21          HB1       PHE  21  10.132   5.084   4.959
  153    HD1  PHE  21           HD1      PHE  21   7.390   5.048   4.234
  154    HD2  PHE  21           HD2      PHE  21  10.204   1.838   3.924
  155    HE1  PHE  21           HE1      PHE  21   5.965   3.963   2.546
  156    HE2  PHE  21           HE2      PHE  21   8.766   0.776   2.234
  157    HZ   PHE  21           HZ       PHE  21   6.664   1.836   1.542
  158    H    THR  22           HN       THR  22  11.449   2.297   8.056
  159    HA   THR  22           HA       THR  22  12.814   4.483   9.150
  160    HB   THR  22           HB       THR  22  13.902   2.870  10.659
  161    HG1  THR  22           HG1      THR  22  14.121   1.250   9.023
  162   1HG2  THR  22          HG21      THR  22  11.796   1.854  11.560
  163   2HG2  THR  22          HG22      THR  22  10.971   2.459  10.121
  164   3HG2  THR  22          HG23      THR  22  11.702   3.590  11.262
  165    H    PHE  23           HN       PHE  23  13.703   2.308   6.627
  166    HA   PHE  23           HA       PHE  23  16.493   2.332   7.045
  167   1HB   PHE  23          HB2       PHE  23  16.760   1.319   4.927
  168   2HB   PHE  23          HB1       PHE  23  15.414   0.594   5.751
  169    HD1  PHE  23           HD1      PHE  23  16.314   0.655   2.722
  170    HD2  PHE  23           HD2      PHE  23  13.342   2.700   4.967
  171    HE1  PHE  23           HE1      PHE  23  14.906   0.821   0.717
  172    HE2  PHE  23           HE2      PHE  23  11.923   2.843   2.981
  173    HZ   PHE  23           HZ       PHE  23  12.703   1.919   0.844
  174    H    ALA  24           HN       ALA  24  14.536   4.777   5.453
  175    HA   ALA  24           HA       ALA  24  16.453   6.053   3.905
  176   1HB   ALA  24          HB1       ALA  24  14.152   7.019   5.544
  177   2HB   ALA  24          HB2       ALA  24  14.399   7.096   3.802
  178   3HB   ALA  24          HB3       ALA  24  15.266   8.205   4.860
  179    H    GLY  25           HN       GLY  25  16.303   5.692   7.332
  180   1HA   GLY  25          HA2       GLY  25  17.759   7.675   8.429
  181   2HA   GLY  25          HA1       GLY  25  18.023   5.984   8.859
  182    H    ARG  26           HN       ARG  26  18.959   5.302   6.166
  183    HA   ARG  26           HA       ARG  26  21.694   5.572   6.418
  184   1HB   ARG  26          HB2       ARG  26  20.639   3.958   4.906
  185   2HB   ARG  26          HB1       ARG  26  20.057   5.267   3.879
  186   1HG   ARG  26          HG2       ARG  26  22.363   5.867   3.346
  187   2HG   ARG  26          HG1       ARG  26  22.946   4.561   4.380
  188   1HD   ARG  26          HD2       ARG  26  21.737   2.943   2.963
  189   2HD   ARG  26          HD1       ARG  26  21.248   4.266   1.906
  190    HE   ARG  26           HE       ARG  26  23.863   3.038   2.073
  191   1HH1  ARG  26          HH11      ARG  26  22.005   5.785   0.986
  192   2HH1  ARG  26          HH12      ARG  26  23.156   6.246  -0.220
  193   1HH2  ARG  26          HH21      ARG  26  25.381   3.645   0.487
  194   2HH2  ARG  26          HH22      ARG  26  25.074   5.031  -0.504
  195    H    GLU  27           HN       GLU  27  19.595   7.350   4.165
  196    HA   GLU  27           HA       GLU  27  21.657   9.416   3.907
  197   1HB   GLU  27          HB2       GLU  27  19.113   9.015   2.319
  198   2HB   GLU  27          HB1       GLU  27  20.373  10.188   1.972
  199   1HG   GLU  27          HG2       GLU  27  21.954   8.355   1.575
  200   2HG   GLU  27          HG1       GLU  27  20.662   7.194   1.882
  201    H    GLY  28           HN       GLY  28  21.406  11.428   4.723
  202   1HA   GLY  28          HA2       GLY  28  18.762  12.083   5.867
  203   2HA   GLY  28          HA1       GLY  28  20.253  12.400   6.736
  204    H    ARG  29           HN       ARG  29  18.176  13.380   4.130
  205    HA   ARG  29           HA       ARG  29  19.294  16.040   4.289
  206   1HB   ARG  29          HB2       ARG  29  19.858  16.309   2.020
  207   2HB   ARG  29          HB1       ARG  29  20.554  14.760   2.468
  208   1HG   ARG  29          HG2       ARG  29  17.919  15.081   1.048
  209   2HG   ARG  29          HG1       ARG  29  19.460  14.789   0.241
  210   1HD   ARG  29          HD2       ARG  29  18.096  12.985   2.234
  211   2HD   ARG  29          HD1       ARG  29  18.248  12.711   0.500
  212    HE   ARG  29           HE       ARG  29  20.264  12.272   2.508
  213   1HH1  ARG  29          HH11      ARG  29  19.647  12.852  -0.870
  214   2HH1  ARG  29          HH12      ARG  29  21.137  12.144  -1.397
  215   1HH2  ARG  29          HH21      ARG  29  22.228  11.338   1.824
  216   2HH2  ARG  29          HH22      ARG  29  22.604  11.281   0.135
  217    H    LYS  30           HN       LYS  30  17.996  17.108   2.050
  218    HA   LYS  30           HA       LYS  30  15.207  16.842   2.915
  219   1HB   LYS  30          HB2       LYS  30  14.910  19.030   1.695
  220   2HB   LYS  30          HB1       LYS  30  15.971  19.094   3.094
  221   1HG   LYS  30          HG2       LYS  30  17.918  18.991   1.605
  222   2HG   LYS  30          HG1       LYS  30  16.835  18.966   0.211
  223   1HD   LYS  30          HD2       LYS  30  17.004  21.173   2.262
  224   2HD   LYS  30          HD1       LYS  30  17.725  21.215   0.652
  225   1HE   LYS  30          HE2       LYS  30  14.782  20.954   1.258
  226   2HE   LYS  30          HE1       LYS  30  15.595  22.429   0.736
  227   1HZ   LYS  30          HZ1       LYS  30  16.184  21.329  -1.333
  228   2HZ   LYS  30          HZ2       LYS  30  14.508  21.315  -1.109
  229   3HZ   LYS  30          HZ3       LYS  30  15.408  19.911  -0.830
  230    H    GLY  31           HN       GLY  31  16.025  14.765   1.378
  231   1HA   GLY  31          HA2       GLY  31  14.484  15.230  -1.077
  232   2HA   GLY  31          HA1       GLY  31  16.091  14.517  -1.211
  233    H    SER  32           HN       SER  32  16.249  12.342  -1.046
  234    HA   SER  32           HA       SER  32  14.102  10.927   0.305
  235   1HB   SER  32          HB2       SER  32  13.068  10.549  -1.619
  236   2HB   SER  32          HB1       SER  32  14.479  10.970  -2.586
  237    HG   SER  32           HG       SER  32  15.145   8.912  -2.519
  238    H    LEU  33           HN       LEU  33  14.399   8.554   0.146
  239    HA   LEU  33           HA       LEU  33  17.095   7.933   0.963
  240   1HB   LEU  33          HB2       LEU  33  15.798   6.978   2.533
  241   2HB   LEU  33          HB1       LEU  33  14.418   6.859   1.479
  242    HG   LEU  33           HG       LEU  33  16.744   4.951   1.255
  243   1HD1  LEU  33          HD11      LEU  33  16.180   4.282   3.302
  244   2HD1  LEU  33          HD12      LEU  33  14.927   3.469   2.404
  245   3HD1  LEU  33          HD13      LEU  33  14.563   4.978   3.210
  246   1HD2  LEU  33          HD21      LEU  33  14.087   5.224   0.043
  247   2HD2  LEU  33          HD22      LEU  33  14.565   3.590   0.474
  248   3HD2  LEU  33          HD23      LEU  33  15.548   4.543  -0.632
  249    H    ASN  34           HN       ASN  34  18.059   5.895   0.224
  250    HA   ASN  34           HA       ASN  34  17.359   5.466  -2.580
  251   1HB   ASN  34          HB2       ASN  34  19.903   5.440  -1.022
  252   2HB   ASN  34          HB1       ASN  34  19.813   4.529  -2.536
  253   1HD2  ASN  34          HD21      ASN  34  21.317   5.831  -3.568
  254   2HD2  ASN  34          HD22      ASN  34  20.970   7.453  -4.051
  255    H    ILE  35           HN       ILE  35  18.446   3.165  -3.185
  256    HA   ILE  35           HA       ILE  35  16.996   1.342  -1.506
  257    HB   ILE  35           HB       ILE  35  17.512  -0.281  -3.489
  258   1HG1  ILE  35          HG12      ILE  35  17.669   0.863  -5.627
  259   2HG1  ILE  35          HG11      ILE  35  17.650   2.430  -4.826
  260   1HG2  ILE  35          HG21      ILE  35  15.299   0.286  -2.848
  261   2HG2  ILE  35          HG22      ILE  35  15.418   0.541  -4.584
  262   3HG2  ILE  35          HG23      ILE  35  15.462   1.920  -3.484
  263   1HD1  ILE  35          HD11      ILE  35  19.799   0.338  -4.616
  264   2HD1  ILE  35          HD12      ILE  35  19.770   1.857  -3.721
  265   3HD1  ILE  35          HD13      ILE  35  19.897   1.873  -5.481
  266    H    ASN  36           HN       ASN  36  19.623   2.344  -0.843
  267    HA   ASN  36           HA       ASN  36  21.509   0.222  -1.162
  268   1HB   ASN  36          HB2       ASN  36  21.356   2.654   0.602
  269   2HB   ASN  36          HB1       ASN  36  22.682   1.498   0.737
  270   1HD2  ASN  36          HD21      ASN  36  21.226   3.978  -1.184
  271   2HD2  ASN  36          HD22      ASN  36  22.524   4.170  -2.305
  272    H    GLU  37           HN       GLU  37  19.726   1.507   1.652
  273    HA   GLU  37           HA       GLU  37  20.241  -0.777   3.231
  274   1HB   GLU  37          HB2       GLU  37  17.979   1.207   3.416
  275   2HB   GLU  37          HB1       GLU  37  18.331  -0.040   4.619
  276   1HG   GLU  37          HG2       GLU  37  20.697   1.120   4.591
  277   2HG   GLU  37          HG1       GLU  37  19.766   2.495   3.977
  278    H    PHE  38           HN       PHE  38  17.737   0.090   0.911
  279    HA   PHE  38           HA       PHE  38  15.890  -1.861   1.295
  280   1HB   PHE  38          HB2       PHE  38  16.057  -0.097  -0.557
  281   2HB   PHE  38          HB1       PHE  38  17.028  -1.268  -1.438
  282    HD1  PHE  38           HD1      PHE  38  13.865   0.022  -1.175
  283    HD2  PHE  38           HD2      PHE  38  15.857  -3.719  -1.426
  284    HE1  PHE  38           HE1      PHE  38  11.802  -1.005  -2.031
  285    HE2  PHE  38           HE2      PHE  38  13.803  -4.762  -2.293
  286    HZ   PHE  38           HZ       PHE  38  11.771  -3.403  -2.598
  287    H    LYS  39           HN       LYS  39  19.154  -2.160   0.138
  288    HA   LYS  39           HA       LYS  39  19.059  -4.724  -0.857
  289   1HB   LYS  39          HB2       LYS  39  21.369  -3.324   0.395
  290   2HB   LYS  39          HB1       LYS  39  21.462  -4.725  -0.672
  291   1HG   LYS  39          HG2       LYS  39  20.071  -3.262  -2.288
  292   2HG   LYS  39          HG1       LYS  39  20.695  -1.924  -1.308
  293   1HD   LYS  39          HD2       LYS  39  22.463  -4.029  -2.529
  294   2HD   LYS  39          HD1       LYS  39  22.110  -2.479  -3.311
  295   1HE   LYS  39          HE2       LYS  39  23.016  -1.309  -1.338
  296   2HE   LYS  39          HE1       LYS  39  23.407  -2.865  -0.610
  297   1HZ   LYS  39          HZ1       LYS  39  24.897  -3.302  -2.478
  298   2HZ   LYS  39          HZ2       LYS  39  25.345  -1.903  -1.640
  299   3HZ   LYS  39          HZ3       LYS  39  24.547  -1.778  -3.127
  300    H    GLU  40           HN       GLU  40  18.834  -3.703   2.250
  301    HA   GLU  40           HA       GLU  40  19.622  -6.199   3.455
  302   1HB   GLU  40          HB2       GLU  40  19.322  -5.189   5.524
  303   2HB   GLU  40          HB1       GLU  40  19.746  -3.810   4.525
  304   1HG   GLU  40          HG2       GLU  40  17.572  -2.968   4.548
  305   2HG   GLU  40          HG1       GLU  40  16.874  -4.512   5.043
  306    H    LEU  41           HN       LEU  41  17.076  -5.223   1.626
  307    HA   LEU  41           HA       LEU  41  14.904  -6.435   3.041
  308   1HB   LEU  41          HB2       LEU  41  15.089  -5.455   0.194
  309   2HB   LEU  41          HB1       LEU  41  13.617  -5.949   0.995
  310    HG   LEU  41           HG       LEU  41  14.840  -3.385   0.850
  311   1HD1  LEU  41          HD11      LEU  41  12.644  -3.069   0.732
  312   2HD1  LEU  41          HD12      LEU  41  12.592  -3.235   2.488
  313   3HD1  LEU  41          HD13      LEU  41  12.308  -4.635   1.463
  314   1HD2  LEU  41          HD21      LEU  41  14.631  -2.756   3.279
  315   2HD2  LEU  41          HD22      LEU  41  16.026  -3.756   2.893
  316   3HD2  LEU  41          HD23      LEU  41  14.611  -4.476   3.661
  317    H    ALA  42           HN       ALA  42  15.176  -7.188  -0.376
  318    HA   ALA  42           HA       ALA  42  14.284  -9.669  -0.346
  319   1HB   ALA  42          HB1       ALA  42  16.260  -9.883  -2.235
  320   2HB   ALA  42          HB2       ALA  42  15.983  -8.143  -2.111
  321   3HB   ALA  42          HB3       ALA  42  14.641  -9.227  -2.476
  322    H    THR  43           HN       THR  43  17.485  -8.735   0.667
  323    HA   THR  43           HA       THR  43  18.646 -11.272   0.734
  324    HB   THR  43           HB       THR  43  20.053 -10.084   2.581
  325    HG1  THR  43           HG1      THR  43  19.006  -7.719   1.465
  326   1HG2  THR  43          HG21      THR  43  21.212  -8.727   0.830
  327   2HG2  THR  43          HG22      THR  43  19.877  -9.097  -0.253
  328   3HG2  THR  43          HG23      THR  43  20.900 -10.395   0.351
  329    H    GLN  44           HN       GLN  44  17.303  -9.359   3.454
  330    HA   GLN  44           HA       GLN  44  17.108 -11.665   5.120
  331   1HB   GLN  44          HB2       GLN  44  16.045  -8.882   5.620
  332   2HB   GLN  44          HB1       GLN  44  16.303 -10.135   6.827
  333   1HG   GLN  44          HG2       GLN  44  18.684 -10.005   6.523
  334   2HG   GLN  44          HG1       GLN  44  18.487  -8.871   5.188
  335   1HE2  GLN  44          HE21      GLN  44  19.729  -7.305   6.202
  336   2HE2  GLN  44          HE22      GLN  44  19.153  -6.402   7.557
  337    H    GLN  45           HN       GLN  45  15.078  -9.997   2.948
  338    HA   GLN  45           HA       GLN  45  12.599 -11.026   3.986
  339   1HB   GLN  45          HB2       GLN  45  13.266  -9.670   1.369
  340   2HB   GLN  45          HB1       GLN  45  11.642 -10.088   1.896
  341   1HG   GLN  45          HG2       GLN  45  12.358  -8.656   3.998
  342   2HG   GLN  45          HG1       GLN  45  13.441  -7.926   2.821
  343   1HE2  GLN  45          HE21      GLN  45  11.395  -8.549   0.660
  344   2HE2  GLN  45          HE22      GLN  45  10.193  -7.329   0.839
  345    H    LEU  46           HN       LEU  46  15.022 -11.862   1.645
  346    HA   LEU  46           HA       LEU  46  14.037 -13.563  -0.136
  347   1HB   LEU  46          HB2       LEU  46  16.526 -13.350   1.282
  348   2HB   LEU  46          HB1       LEU  46  16.140 -15.043   1.087
  349    HG   LEU  46           HG       LEU  46  16.689 -12.989  -1.038
  350   1HD1  LEU  46          HD11      LEU  46  18.284 -14.669  -1.787
  351   2HD1  LEU  46          HD12      LEU  46  17.777 -15.740  -0.481
  352   3HD1  LEU  46          HD13      LEU  46  18.572 -14.211  -0.109
  353   1HD2  LEU  46          HD21      LEU  46  15.251 -15.619  -1.328
  354   2HD2  LEU  46          HD22      LEU  46  16.080 -14.822  -2.665
  355   3HD2  LEU  46          HD23      LEU  46  14.721 -14.026  -1.872
  356    HA   PRO  47           HA       PRO  47  13.118 -16.968   2.951
  357   1HB   PRO  47          HB2       PRO  47  13.941 -16.869   5.473
  358   2HB   PRO  47          HB1       PRO  47  15.120 -17.180   4.193
  359   1HG   PRO  47          HG2       PRO  47  14.584 -14.648   5.680
  360   2HG   PRO  47          HG1       PRO  47  16.133 -15.349   5.175
  361   1HD   PRO  47          HD2       PRO  47  14.702 -13.367   3.794
  362   2HD   PRO  47          HD1       PRO  47  16.020 -14.349   3.128
  363    H    HIS  48           HN       HIS  48  11.070 -15.817   2.586
  364    HA   HIS  48           HA       HIS  48   9.968 -14.505   4.956
  365   1HB   HIS  48          HB2       HIS  48   9.669 -13.786   2.372
  366   2HB   HIS  48          HB1       HIS  48   8.236 -14.805   2.536
  367    HD1  HIS  48           HD1      HIS  48   9.813 -11.683   3.949
  368    HD2  HIS  48           HD2      HIS  48   6.170 -13.679   3.960
  369    HE1  HIS  48           HE1      HIS  48   8.177 -10.087   4.997
  370    HE2  HIS  48           HE2      HIS  48   5.955 -11.268   4.866
  371    H    LEU  49           HN       LEU  49   7.220 -15.388   4.250
  372    HA   LEU  49           HA       LEU  49   7.335 -17.985   5.507
  373   1HB   LEU  49          HB2       LEU  49   5.037 -16.296   4.495
  374   2HB   LEU  49          HB1       LEU  49   4.811 -17.898   5.170
  375    HG   LEU  49           HG       LEU  49   5.903 -15.485   6.618
  376   1HD1  LEU  49          HD11      LEU  49   3.871 -15.714   7.972
  377   2HD1  LEU  49          HD12      LEU  49   3.332 -17.029   6.927
  378   3HD1  LEU  49          HD13      LEU  49   3.502 -15.398   6.277
  379   1HD2  LEU  49          HD21      LEU  49   5.495 -18.316   7.570
  380   2HD2  LEU  49          HD22      LEU  49   5.877 -16.942   8.606
  381   3HD2  LEU  49          HD23      LEU  49   7.035 -17.477   7.389
  382    H    LEU  50           HN       LEU  50   5.137 -17.297   2.834
  383    HA   LEU  50           HA       LEU  50   6.122 -19.615   1.387
  384   1HB   LEU  50          HB2       LEU  50   4.201 -19.410   0.015
  385   2HB   LEU  50          HB1       LEU  50   3.680 -19.118   1.664
  386    HG   LEU  50           HG       LEU  50   4.402 -16.679   0.208
  387   1HD1  LEU  50          HD11      LEU  50   2.161 -18.441  -0.748
  388   2HD1  LEU  50          HD12      LEU  50   3.485 -17.757  -1.691
  389   3HD1  LEU  50          HD13      LEU  50   2.223 -16.705  -1.049
  390   1HD2  LEU  50          HD21      LEU  50   2.152 -16.029   1.138
  391   2HD2  LEU  50          HD22      LEU  50   3.373 -16.478   2.327
  392   3HD2  LEU  50          HD23      LEU  50   2.097 -17.619   1.897
  393    H    LYS  51           HN       LYS  51   7.754 -17.099   1.602
  394    HA   LYS  51           HA       LYS  51   7.833 -15.382  -0.432
  395   1HB   LYS  51          HB2       LYS  51   9.521 -15.850   1.489
  396   2HB   LYS  51          HB1       LYS  51  10.373 -16.783   0.285
  397   1HG   LYS  51          HG2       LYS  51  11.232 -14.479   0.518
  398   2HG   LYS  51          HG1       LYS  51  10.666 -14.846  -1.104
  399   1HD   LYS  51          HD2       LYS  51   8.982 -13.358  -0.987
  400   2HD   LYS  51          HD1       LYS  51   8.707 -13.633   0.732
  401   1HE   LYS  51          HE2       LYS  51   9.641 -11.362   0.076
  402   2HE   LYS  51          HE1       LYS  51  10.506 -12.232   1.345
  403   1HZ   LYS  51          HZ1       LYS  51  12.315 -12.448   0.072
  404   2HZ   LYS  51          HZ2       LYS  51  11.663 -11.179  -0.835
  405   3HZ   LYS  51          HZ3       LYS  51  11.436 -12.779  -1.332
  406    H    ASP  52           HN       ASP  52   9.148 -15.214  -2.294
  407    HA   ASP  52           HA       ASP  52   9.062 -17.635  -3.950
  408   1HB   ASP  52          HB2       ASP  52   7.723 -15.759  -4.784
  409   2HB   ASP  52          HB1       ASP  52   9.136 -14.704  -4.735
  410    H    VAL  53           HN       VAL  53  11.247 -16.375  -2.023
  411    HA   VAL  53           HA       VAL  53  13.490 -16.058  -1.987
  412    HB   VAL  53           HB       VAL  53  13.254 -18.237  -4.051
  413   1HG1  VAL  53          HG11      VAL  53  15.457 -17.379  -4.288
  414   2HG1  VAL  53          HG12      VAL  53  15.599 -18.820  -3.284
  415   3HG1  VAL  53          HG13      VAL  53  15.655 -17.221  -2.544
  416   1HG2  VAL  53          HG21      VAL  53  13.648 -19.756  -2.201
  417   2HG2  VAL  53          HG22      VAL  53  12.237 -18.746  -1.881
  418   3HG2  VAL  53          HG23      VAL  53  13.774 -18.393  -1.089
  419    H    GLY  54           HN       GLY  54  13.085 -13.904  -2.938
  420   1HA   GLY  54          HA2       GLY  54  13.104 -13.087  -5.500
  421   2HA   GLY  54          HA1       GLY  54  14.017 -12.246  -4.257
  422    H    SER  55           HN       SER  55  14.251 -13.611  -7.233
  423    HA   SER  55           HA       SER  55  16.579 -15.095  -7.303
  424   1HB   SER  55          HB2       SER  55  14.956 -14.563  -9.205
  425   2HB   SER  55          HB1       SER  55  15.872 -13.072  -9.423
  426    HG   SER  55           HG       SER  55  16.640 -14.754 -10.767
  427    H    LEU  56           HN       LEU  56  18.505 -13.949  -8.829
  428    HA   LEU  56           HA       LEU  56  19.829 -12.265  -6.894
  429   1HB   LEU  56          HB2       LEU  56  20.726 -13.313  -9.581
  430   2HB   LEU  56          HB1       LEU  56  21.744 -12.388  -8.494
  431    HG   LEU  56           HG       LEU  56  22.263 -14.744  -8.307
  432   1HD1  LEU  56          HD11      LEU  56  20.760 -13.737  -5.896
  433   2HD1  LEU  56          HD12      LEU  56  22.444 -13.395  -6.294
  434   3HD1  LEU  56          HD13      LEU  56  21.948 -15.041  -5.902
  435   1HD2  LEU  56          HD21      LEU  56  20.695 -16.410  -7.698
  436   2HD2  LEU  56          HD22      LEU  56  19.966 -15.503  -9.025
  437   3HD2  LEU  56          HD23      LEU  56  19.443 -15.213  -7.366
  438    H    ASP  57           HN       ASP  57  19.555 -11.853 -10.433
  439    HA   ASP  57           HA       ASP  57  20.078  -9.110 -10.410
  440   1HB   ASP  57          HB2       ASP  57  18.878 -10.992 -12.365
  441   2HB   ASP  57          HB1       ASP  57  18.566  -9.269 -12.598
  442    H    GLU  58           HN       GLU  58  17.114 -10.904 -10.030
  443    HA   GLU  58           HA       GLU  58  15.180  -9.008 -10.469
  444   1HB   GLU  58          HB2       GLU  58  14.875 -11.441  -9.759
  445   2HB   GLU  58          HB1       GLU  58  15.105 -10.883  -8.106
  446   1HG   GLU  58          HG2       GLU  58  13.198  -9.337  -8.421
  447   2HG   GLU  58          HG1       GLU  58  12.927 -10.060 -10.006
  448    H    LYS  59           HN       LYS  59  17.288  -9.468  -7.752
  449    HA   LYS  59           HA       LYS  59  16.201  -7.482  -6.099
  450   1HB   LYS  59          HB2       LYS  59  18.749  -9.037  -6.114
  451   2HB   LYS  59          HB1       LYS  59  18.588  -7.668  -5.050
  452   1HG   LYS  59          HG2       LYS  59  18.095  -9.897  -4.027
  453   2HG   LYS  59          HG1       LYS  59  16.847  -8.687  -3.840
  454   1HD   LYS  59          HD2       LYS  59  16.484 -10.317  -6.217
  455   2HD   LYS  59          HD1       LYS  59  16.525 -11.268  -4.741
  456   1HE   LYS  59          HE2       LYS  59  14.581 -10.429  -3.974
  457   2HE   LYS  59          HE1       LYS  59  14.862  -8.840  -4.666
  458   1HZ   LYS  59          HZ1       LYS  59  14.254  -9.677  -6.823
  459   2HZ   LYS  59          HZ2       LYS  59  13.013 -10.013  -5.725
  460   3HZ   LYS  59          HZ3       LYS  59  14.068 -11.242  -6.210
  461    H    MET  60           HN       MET  60  18.661  -7.524  -8.571
  462    HA   MET  60           HA       MET  60  19.653  -4.927  -7.947
  463   1HB   MET  60          HB2       MET  60  20.161  -6.733 -10.300
  464   2HB   MET  60          HB1       MET  60  21.001  -5.214 -10.016
  465   1HG   MET  60          HG2       MET  60  21.856  -6.107  -7.893
  466   2HG   MET  60          HG1       MET  60  21.052  -7.639  -8.234
  467   1HE   MET  60          HE1       MET  60  22.812  -5.314 -10.886
  468   2HE   MET  60          HE2       MET  60  24.466  -5.924 -10.827
  469   3HE   MET  60          HE3       MET  60  23.783  -5.090  -9.431
  470    H    LYS  61           HN       LYS  61  17.094  -6.129  -9.879
  471    HA   LYS  61           HA       LYS  61  17.057  -3.897 -11.720
  472   1HB   LYS  61          HB2       LYS  61  14.582  -5.445 -11.536
  473   2HB   LYS  61          HB1       LYS  61  15.574  -5.072 -12.938
  474   1HG   LYS  61          HG2       LYS  61  17.134  -6.890 -12.193
  475   2HG   LYS  61          HG1       LYS  61  15.925  -7.315 -10.980
  476   1HD   LYS  61          HD2       LYS  61  15.620  -8.739 -12.888
  477   2HD   LYS  61          HD1       LYS  61  14.269  -7.606 -12.808
  478   1HE   LYS  61          HE2       LYS  61  15.071  -7.846 -15.096
  479   2HE   LYS  61          HE1       LYS  61  15.337  -6.207 -14.502
  480   1HZ   LYS  61          HZ1       LYS  61  17.258  -7.066 -15.707
  481   2HZ   LYS  61          HZ2       LYS  61  17.397  -8.344 -14.608
  482   3HZ   LYS  61          HZ3       LYS  61  17.643  -6.754 -14.089
  483    H    THR  62           HN       THR  62  14.501  -5.133  -9.616
  484    HA   THR  62           HA       THR  62  12.971  -2.852  -9.552
  485    HB   THR  62           HB       THR  62  13.289  -4.727  -7.212
  486    HG1  THR  62           HG1      THR  62  12.791  -5.775  -9.275
  487   1HG2  THR  62          HG21      THR  62  10.952  -3.035  -8.093
  488   2HG2  THR  62          HG22      THR  62  12.025  -2.670  -6.742
  489   3HG2  THR  62          HG23      THR  62  10.995  -4.101  -6.689
  490    H    LEU  63           HN       LEU  63  15.929  -3.551  -7.917
  491    HA   LEU  63           HA       LEU  63  15.950  -1.816  -5.792
  492   1HB   LEU  63          HB2       LEU  63  17.759  -3.311  -6.195
  493   2HB   LEU  63          HB1       LEU  63  18.152  -2.535  -7.716
  494    HG   LEU  63           HG       LEU  63  18.274  -0.947  -5.207
  495   1HD1  LEU  63          HD11      LEU  63  20.731  -1.675  -5.108
  496   2HD1  LEU  63          HD12      LEU  63  20.200  -3.084  -6.026
  497   3HD1  LEU  63          HD13      LEU  63  19.513  -2.757  -4.435
  498   1HD2  LEU  63          HD21      LEU  63  19.697  -0.949  -7.853
  499   2HD2  LEU  63          HD22      LEU  63  20.263   0.000  -6.480
  500   3HD2  LEU  63          HD23      LEU  63  18.672   0.310  -7.167
  501    H    ASP  64           HN       ASP  64  17.335  -0.960  -8.997
  502    HA   ASP  64           HA       ASP  64  17.338   1.791  -8.359
  503   1HB   ASP  64          HB2       ASP  64  17.312   0.626 -11.143
  504   2HB   ASP  64          HB1       ASP  64  17.825   2.247 -10.649
  505    H    VAL  65           HN       VAL  65  14.912  -0.343  -9.673
  506    HA   VAL  65           HA       VAL  65  13.197   1.535 -10.830
  507    HB   VAL  65           HB       VAL  65  12.443  -0.968  -9.294
  508   1HG1  VAL  65          HG11      VAL  65  10.546   0.544  -9.470
  509   2HG1  VAL  65          HG12      VAL  65  10.323  -0.847 -10.532
  510   3HG1  VAL  65          HG13      VAL  65  10.815   0.706 -11.206
  511   1HG2  VAL  65          HG21      VAL  65  13.900  -1.419 -11.193
  512   2HG2  VAL  65          HG22      VAL  65  12.830  -0.498 -12.249
  513   3HG2  VAL  65          HG23      VAL  65  12.266  -1.997 -11.510
  514    H    ASN  66           HN       ASN  66  12.515   0.062  -7.660
  515    HA   ASN  66           HA       ASN  66  11.339   2.545  -6.746
  516   1HB   ASN  66          HB2       ASN  66  11.806   0.168  -4.952
  517   2HB   ASN  66          HB1       ASN  66  10.512   1.370  -4.923
  518   1HD2  ASN  66          HD21      ASN  66  10.452  -1.577  -4.977
  519   2HD2  ASN  66          HD22      ASN  66   9.463  -1.992  -6.331
  520    H    GLN  67           HN       GLN  67  13.863   3.189  -7.278
  521    HA   GLN  67           HA       GLN  67  15.794   2.593  -5.354
  522   1HB   GLN  67          HB2       GLN  67  17.073   4.373  -6.274
  523   2HB   GLN  67          HB1       GLN  67  16.218   3.622  -7.608
  524   1HG   GLN  67          HG2       GLN  67  15.428   6.134  -6.225
  525   2HG   GLN  67          HG1       GLN  67  16.326   6.072  -7.720
  526   1HE2  GLN  67          HE21      GLN  67  13.563   6.985  -6.752
  527   2HE2  GLN  67          HE22      GLN  67  12.485   6.366  -7.918
  528    H    ASP  68           HN       ASP  68  13.544   5.218  -5.680
  529    HA   ASP  68           HA       ASP  68  14.172   6.233  -3.044
  530   1HB   ASP  68          HB2       ASP  68  12.416   7.320  -5.242
  531   2HB   ASP  68          HB1       ASP  68  12.546   8.055  -3.648
  532    H    SER  69           HN       SER  69  13.060   3.679  -3.049
  533    HA   SER  69           HA       SER  69  10.297   3.496  -2.819
  534   1HB   SER  69          HB2       SER  69  10.808   1.581  -1.203
  535   2HB   SER  69          HB1       SER  69  11.505   1.452  -2.819
  536    HG   SER  69           HG       SER  69  13.463   1.786  -2.024
  537    H    GLU  70           HN       GLU  70  12.580   5.070  -0.890
  538    HA   GLU  70           HA       GLU  70  10.448   5.945   0.886
  539   1HB   GLU  70          HB2       GLU  70  11.821   4.566   2.274
  540   2HB   GLU  70          HB1       GLU  70  13.268   5.380   1.705
  541   1HG   GLU  70          HG2       GLU  70  12.795   7.330   2.805
  542   2HG   GLU  70          HG1       GLU  70  11.080   6.950   2.941
  543    H    LEU  71           HN       LEU  71  10.587   8.074   1.501
  544    HA   LEU  71           HA       LEU  71  12.703   9.634   0.364
  545   1HB   LEU  71          HB2       LEU  71  11.339  11.072  -0.893
  546   2HB   LEU  71          HB1       LEU  71  11.068   9.411  -1.381
  547    HG   LEU  71           HG       LEU  71   8.966  10.408  -1.350
  548   1HD1  LEU  71          HD11      LEU  71   9.262   8.211  -0.112
  549   2HD1  LEU  71          HD12      LEU  71   7.764   9.086   0.092
  550   3HD1  LEU  71          HD13      LEU  71   8.985   9.166   1.343
  551   1HD2  LEU  71          HD21      LEU  71   9.165  11.376   1.439
  552   2HD2  LEU  71          HD22      LEU  71   8.136  11.936   0.121
  553   3HD2  LEU  71          HD23      LEU  71   9.845  12.328   0.126
  554    H    ARG  72           HN       ARG  72  12.599  11.863   0.823
  555    HA   ARG  72           HA       ARG  72  11.416  12.486   3.433
  556   1HB   ARG  72          HB2       ARG  72  13.514  14.196   2.209
  557   2HB   ARG  72          HB1       ARG  72  13.279  13.772   3.900
  558   1HG   ARG  72          HG2       ARG  72  14.467  12.061   1.750
  559   2HG   ARG  72          HG1       ARG  72  15.347  12.850   3.061
  560   1HD   ARG  72          HD2       ARG  72  13.316  10.640   3.279
  561   2HD   ARG  72          HD1       ARG  72  15.046  10.523   3.579
  562    HE   ARG  72           HE       ARG  72  14.211  12.423   5.333
  563   1HH1  ARG  72          HH11      ARG  72  13.228   9.155   4.639
  564   2HH1  ARG  72          HH12      ARG  72  12.719   8.824   6.262
  565   1HH2  ARG  72          HH21      ARG  72  13.544  11.998   7.475
  566   2HH2  ARG  72          HH22      ARG  72  12.898  10.441   7.874
  567    H    PHE  73           HN       PHE  73  11.853  13.406   0.100
  568    HA   PHE  73           HA       PHE  73  10.217  15.760   0.410
  569   1HB   PHE  73          HB2       PHE  73  10.934  16.315  -1.902
  570   2HB   PHE  73          HB1       PHE  73  12.228  16.204  -0.733
  571    HD1  PHE  73           HD1      PHE  73  11.362  12.871  -1.607
  572    HD2  PHE  73           HD2      PHE  73  13.348  16.342  -3.083
  573    HE1  PHE  73           HE1      PHE  73  12.611  11.492  -3.198
  574    HE2  PHE  73           HE2      PHE  73  14.601  14.950  -4.664
  575    HZ   PHE  73           HZ       PHE  73  14.232  12.522  -4.727
  576    H    SER  74           HN       SER  74  10.007  14.491  -2.801
  577    HA   SER  74           HA       SER  74   7.238  13.798  -2.226
  578   1HB   SER  74          HB2       SER  74   8.410  15.539  -4.303
  579   2HB   SER  74          HB1       SER  74   7.058  14.519  -4.798
  580    HG   SER  74           HG       SER  74   5.796  15.466  -3.219
  581    H    GLU  75           HN       GLU  75   9.639  12.075  -2.509
  582    HA   GLU  75           HA       GLU  75   9.034  10.635  -4.926
  583   1HB   GLU  75          HB2       GLU  75  11.046  10.589  -2.867
  584   2HB   GLU  75          HB1       GLU  75  10.585   8.970  -3.346
  585   1HG   GLU  75          HG2       GLU  75  11.558  11.154  -5.163
  586   2HG   GLU  75          HG1       GLU  75  12.523   9.818  -4.541
  587    H    TYR  76           HN       TYR  76   7.116  10.883  -2.426
  588    HA   TYR  76           HA       TYR  76   6.771   8.390  -1.337
  589   1HB   TYR  76          HB2       TYR  76   5.161  10.818  -1.453
  590   2HB   TYR  76          HB1       TYR  76   4.217   9.340  -1.240
  591    HD1  TYR  76           HD1      TYR  76   5.072   7.726   0.624
  592    HD2  TYR  76           HD2      TYR  76   6.182  11.797   0.300
  593    HE1  TYR  76           HE1      TYR  76   5.895   7.666   2.896
  594    HE2  TYR  76           HE2      TYR  76   7.002  11.769   2.593
  595    HH   TYR  76           HH       TYR  76   7.482   8.918   4.352
  596    H    TRP  77           HN       TRP  77   6.062   9.383  -4.483
  597    HA   TRP  77           HA       TRP  77   3.986   7.508  -5.011
  598   1HB   TRP  77          HB2       TRP  77   4.500   7.853  -7.384
  599   2HB   TRP  77          HB1       TRP  77   4.402   9.392  -6.543
  600    HD1  TRP  77           HD1      TRP  77   7.176   6.887  -7.567
  601    HE1  TRP  77           HE1      TRP  77   9.247   8.236  -8.250
  602    HE3  TRP  77           HE3      TRP  77   5.438  11.594  -6.643
  603    HZ2  TRP  77           HZ2      TRP  77  10.053  10.943  -8.372
  604    HZ3  TRP  77           HZ3      TRP  77   6.908  13.503  -7.045
  605    HH2  TRP  77           HH2      TRP  77   9.175  13.190  -7.905
  606    H    ARG  78           HN       ARG  78   7.228   7.035  -4.181
  607    HA   ARG  78           HA       ARG  78   7.574   4.716  -5.911
  608   1HB   ARG  78          HB2       ARG  78   9.347   6.067  -3.886
  609   2HB   ARG  78          HB1       ARG  78   9.766   4.497  -4.577
  610   1HG   ARG  78          HG2       ARG  78   9.062   6.741  -6.383
  611   2HG   ARG  78          HG1       ARG  78  10.647   6.722  -5.617
  612   1HD   ARG  78          HD2       ARG  78  10.356   5.632  -7.943
  613   2HD   ARG  78          HD1       ARG  78  11.317   4.807  -6.723
  614    HE   ARG  78           HE       ARG  78   9.056   3.592  -6.300
  615   1HH1  ARG  78          HH11      ARG  78  10.389   4.487  -9.416
  616   2HH1  ARG  78          HH12      ARG  78   9.553   3.230 -10.258
  617   1HH2  ARG  78          HH21      ARG  78   7.977   1.948  -7.421
  618   2HH2  ARG  78          HH22      ARG  78   8.191   1.793  -9.133
  619    H    LEU  79           HN       LEU  79   6.764   5.571  -2.663
  620    HA   LEU  79           HA       LEU  79   6.932   2.885  -1.696
  621   1HB   LEU  79          HB2       LEU  79   5.374   4.558   0.011
  622   2HB   LEU  79          HB1       LEU  79   6.927   3.816   0.310
  623    HG   LEU  79           HG       LEU  79   6.386   6.586  -0.776
  624   1HD1  LEU  79          HD11      LEU  79   6.266   6.229   1.646
  625   2HD1  LEU  79          HD12      LEU  79   7.618   7.258   1.195
  626   3HD1  LEU  79          HD13      LEU  79   7.903   5.576   1.623
  627   1HD2  LEU  79          HD21      LEU  79   8.345   6.691  -1.786
  628   2HD2  LEU  79          HD22      LEU  79   8.584   4.973  -1.498
  629   3HD2  LEU  79          HD23      LEU  79   9.156   6.149  -0.329
  630    H    ILE  80           HN       ILE  80   4.809   4.464  -3.663
  631    HA   ILE  80           HA       ILE  80   2.334   3.692  -2.624
  632    HB   ILE  80           HB       ILE  80   2.764   5.446  -4.400
  633   1HG1  ILE  80          HG12      ILE  80   0.673   3.395  -5.138
  634   2HG1  ILE  80          HG11      ILE  80   0.487   4.565  -3.833
  635   1HG2  ILE  80          HG21      ILE  80   4.184   3.889  -5.752
  636   2HG2  ILE  80          HG22      ILE  80   3.007   4.845  -6.643
  637   3HG2  ILE  80          HG23      ILE  80   2.691   3.143  -6.307
  638   1HD1  ILE  80          HD11      ILE  80  -0.664   5.337  -5.797
  639   2HD1  ILE  80          HD12      ILE  80   0.800   5.167  -6.765
  640   3HD1  ILE  80          HD13      ILE  80   0.724   6.379  -5.487
  641    H    GLY  81           HN       GLY  81   4.415   2.165  -5.061
  642   1HA   GLY  81          HA2       GLY  81   2.683  -0.142  -5.215
  643   2HA   GLY  81          HA1       GLY  81   4.219   0.072  -6.046
  644    H    GLU  82           HN       GLU  82   4.799   0.886  -2.905
  645    HA   GLU  82           HA       GLU  82   6.219  -1.587  -2.426
  646   1HB   GLU  82          HB2       GLU  82   5.864   0.930  -0.827
  647   2HB   GLU  82          HB1       GLU  82   6.856  -0.421  -0.290
  648   1HG   GLU  82          HG2       GLU  82   7.298   1.178  -2.798
  649   2HG   GLU  82          HG1       GLU  82   8.227   1.317  -1.304
  650    H    LEU  83           HN       LEU  83   3.921   0.244  -0.393
  651    HA   LEU  83           HA       LEU  83   3.305  -1.735   1.420
  652   1HB   LEU  83          HB2       LEU  83   1.962   0.674   0.406
  653   2HB   LEU  83          HB1       LEU  83   0.874  -0.525   1.079
  654    HG   LEU  83           HG       LEU  83   3.263   0.521   2.590
  655   1HD1  LEU  83          HD11      LEU  83   2.120   2.485   2.462
  656   2HD1  LEU  83          HD12      LEU  83   1.243   1.747   3.804
  657   3HD1  LEU  83          HD13      LEU  83   0.571   1.695   2.174
  658   1HD2  LEU  83          HD21      LEU  83   2.406  -1.575   3.415
  659   2HD2  LEU  83          HD22      LEU  83   0.758  -0.947   3.404
  660   3HD2  LEU  83          HD23      LEU  83   1.945  -0.285   4.526
  661    H    ALA  84           HN       ALA  84   2.388  -1.476  -1.898
  662    HA   ALA  84           HA       ALA  84   0.263  -3.328  -1.804
  663   1HB   ALA  84          HB1       ALA  84   1.749  -1.857  -3.846
  664   2HB   ALA  84          HB2       ALA  84   0.037  -2.275  -3.776
  665   3HB   ALA  84          HB3       ALA  84   1.209  -3.446  -4.382
  666    H    LYS  85           HN       LYS  85   3.762  -3.634  -2.251
  667    HA   LYS  85           HA       LYS  85   4.045  -6.197  -3.208
  668   1HB   LYS  85          HB2       LYS  85   5.682  -4.367  -1.820
  669   2HB   LYS  85          HB1       LYS  85   5.834  -5.923  -1.015
  670   1HG   LYS  85          HG2       LYS  85   7.515  -5.742  -2.690
  671   2HG   LYS  85          HG1       LYS  85   6.349  -6.951  -3.204
  672   1HD   LYS  85          HD2       LYS  85   6.907  -5.602  -5.097
  673   2HD   LYS  85          HD1       LYS  85   5.268  -5.182  -4.599
  674   1HE   LYS  85          HE2       LYS  85   6.186  -3.244  -3.368
  675   2HE   LYS  85          HE1       LYS  85   7.794  -3.628  -3.989
  676   1HZ   LYS  85          HZ1       LYS  85   6.948  -3.314  -6.235
  677   2HZ   LYS  85          HZ2       LYS  85   6.724  -1.917  -5.309
  678   3HZ   LYS  85          HZ3       LYS  85   5.413  -2.935  -5.632
  679    H    GLU  86           HN       GLU  86   2.848  -5.174  -0.173
  680    HA   GLU  86           HA       GLU  86   2.973  -7.738   1.078
  681   1HB   GLU  86          HB2       GLU  86   1.268  -5.464   2.021
  682   2HB   GLU  86          HB1       GLU  86   2.122  -6.677   2.961
  683   1HG   GLU  86          HG2       GLU  86   3.286  -4.388   1.439
  684   2HG   GLU  86          HG1       GLU  86   3.174  -4.545   3.180
  685    H    VAL  87           HN       VAL  87   0.330  -5.603   0.035
  686    HA   VAL  87           HA       VAL  87  -1.623  -7.641   0.345
  687    HB   VAL  87           HB       VAL  87  -1.998  -5.158  -1.316
  688   1HG1  VAL  87          HG11      VAL  87  -4.172  -5.621  -1.254
  689   2HG1  VAL  87          HG12      VAL  87  -4.120  -6.096   0.441
  690   3HG1  VAL  87          HG13      VAL  87  -3.665  -7.251  -0.813
  691   1HG2  VAL  87          HG21      VAL  87  -2.121  -5.424   1.683
  692   2HG2  VAL  87          HG22      VAL  87  -2.753  -4.053   0.772
  693   3HG2  VAL  87          HG23      VAL  87  -1.025  -4.404   0.751
  694    H    ARG  88           HN       ARG  88   0.758  -7.256  -1.945
  695    HA   ARG  88           HA       ARG  88  -0.701  -7.979  -4.285
  696   1HB   ARG  88          HB2       ARG  88   1.608  -6.845  -4.128
  697   2HB   ARG  88          HB1       ARG  88   2.240  -8.468  -3.880
  698   1HG   ARG  88          HG2       ARG  88   0.654  -7.556  -6.267
  699   2HG   ARG  88          HG1       ARG  88   2.406  -7.757  -6.213
  700   1HD   ARG  88          HD2       ARG  88   2.004 -10.162  -5.599
  701   2HD   ARG  88          HD1       ARG  88   0.297  -9.891  -5.943
  702    HE   ARG  88           HE       ARG  88   1.623  -9.052  -8.191
  703   1HH1  ARG  88          HH11      ARG  88   1.411 -12.012  -6.371
  704   2HH1  ARG  88          HH12      ARG  88   1.669 -13.030  -7.749
  705   1HH2  ARG  88          HH21      ARG  88   1.962 -10.383 -10.013
  706   2HH2  ARG  88          HH22      ARG  88   1.982 -12.104  -9.819
  707    H    LYS  89           HN       LYS  89   1.814  -9.878  -2.578
  708    HA   LYS  89           HA       LYS  89   1.102 -12.342  -3.682
  709   1HB   LYS  89          HB2       LYS  89   2.609 -13.288  -2.238
  710   2HB   LYS  89          HB1       LYS  89   3.130 -11.617  -2.125
  711   1HG   LYS  89          HG2       LYS  89   3.091 -12.240   0.083
  712   2HG   LYS  89          HG1       LYS  89   1.487 -11.541  -0.085
  713   1HD   LYS  89          HD2       LYS  89   0.769 -13.976  -0.615
  714   2HD   LYS  89          HD1       LYS  89   2.319 -14.406   0.103
  715   1HE   LYS  89          HE2       LYS  89   0.584 -12.532   1.611
  716   2HE   LYS  89          HE1       LYS  89   0.088 -14.220   1.541
  717   1HZ   LYS  89          HZ1       LYS  89   1.438 -14.398   3.307
  718   2HZ   LYS  89          HZ2       LYS  89   2.317 -13.004   2.933
  719   3HZ   LYS  89          HZ3       LYS  89   2.676 -14.462   2.156
  720    H    GLU  90           HN       GLU  90  -0.029 -10.608  -0.906
  721    HA   GLU  90           HA       GLU  90  -1.597 -12.476   0.350
  722   1HB   GLU  90          HB2       GLU  90  -1.479  -9.524   0.192
  723   2HB   GLU  90          HB1       GLU  90  -3.005 -10.202   0.783
  724   1HG   GLU  90          HG2       GLU  90  -0.259 -10.751   1.889
  725   2HG   GLU  90          HG1       GLU  90  -1.447  -9.650   2.583
  726    H    LYS  91           HN       LYS  91  -2.068 -10.978  -2.720
  727    HA   LYS  91           HA       LYS  91  -4.841 -11.243  -3.019
  728   1HB   LYS  91          HB2       LYS  91  -4.529 -10.719  -5.214
  729   2HB   LYS  91          HB1       LYS  91  -3.059 -10.074  -4.515
  730   1HG   LYS  91          HG2       LYS  91  -1.796 -11.971  -5.289
  731   2HG   LYS  91          HG1       LYS  91  -3.266 -12.757  -5.869
  732   1HD   LYS  91          HD2       LYS  91  -3.612 -10.874  -7.435
  733   2HD   LYS  91          HD1       LYS  91  -2.079 -10.181  -6.899
  734   1HE   LYS  91          HE2       LYS  91  -0.911 -12.197  -7.662
  735   2HE   LYS  91          HE1       LYS  91  -2.444 -12.877  -8.204
  736   1HZ   LYS  91          HZ1       LYS  91  -1.228 -11.893 -10.038
  737   2HZ   LYS  91          HZ2       LYS  91  -1.184 -10.398  -9.248
  738   3HZ   LYS  91          HZ3       LYS  91  -2.663 -11.037  -9.762
  739    H    ALA  92           HN       ALA  92  -2.252 -13.455  -3.988
  740    HA   ALA  92           HA       ALA  92  -4.134 -15.531  -4.653
  741   1HB   ALA  92          HB1       ALA  92  -2.248 -16.829  -5.332
  742   2HB   ALA  92          HB2       ALA  92  -1.139 -15.761  -4.474
  743   3HB   ALA  92          HB3       ALA  92  -2.002 -15.176  -5.895
  744    H    LEU  93           HN       LEU  93  -2.030 -14.809  -1.924
  745    HA   LEU  93           HA       LEU  93  -2.507 -17.406  -0.742
  746   1HB   LEU  93          HB2       LEU  93  -0.431 -15.893  -0.345
  747   2HB   LEU  93          HB1       LEU  93  -1.479 -15.044   0.782
  748    HG   LEU  93           HG       LEU  93  -1.934 -17.464   1.714
  749   1HD1  LEU  93          HD11      LEU  93   0.774 -17.738   0.429
  750   2HD1  LEU  93          HD12      LEU  93  -0.673 -18.675   0.068
  751   3HD1  LEU  93          HD13      LEU  93   0.113 -18.837   1.638
  752   1HD2  LEU  93          HD21      LEU  93  -0.983 -15.593   2.978
  753   2HD2  LEU  93          HD22      LEU  93   0.606 -15.942   2.299
  754   3HD2  LEU  93          HD23      LEU  93  -0.174 -17.113   3.362
  755    H    GLY  94           HN       GLY  94  -4.001 -14.299  -0.700
  756   1HA   GLY  94          HA2       GLY  94  -5.312 -14.108   1.669
  757   2HA   GLY  94          HA1       GLY  94  -6.063 -13.694   0.139
  758    H    ILE  95           HN       ILE  95  -6.186 -16.286  -0.958
  759    HA   ILE  95           HA       ILE  95  -8.625 -17.122   0.172
  760    HB   ILE  95           HB       ILE  95  -8.366 -19.137  -1.297
  761   1HG1  ILE  95          HG12      ILE  95  -5.900 -17.692  -2.255
  762   2HG1  ILE  95          HG11      ILE  95  -5.870 -19.154  -1.275
  763   1HG2  ILE  95          HG21      ILE  95  -8.390 -16.338  -2.170
  764   2HG2  ILE  95          HG22      ILE  95  -9.623 -17.586  -2.328
  765   3HG2  ILE  95          HG23      ILE  95  -8.239 -17.568  -3.420
  766   1HD1  ILE  95          HD11      ILE  95  -6.983 -20.378  -3.053
  767   2HD1  ILE  95          HD12      ILE  95  -5.497 -19.627  -3.635
  768   3HD1  ILE  95          HD13      ILE  95  -7.059 -18.909  -4.027
  769    H    ARG  96           HN       ARG  96  -7.528 -17.201   2.417
  770    HA   ARG  96           HA       ARG  96  -5.962 -19.407   3.162
  771   1HB   ARG  96          HB2       ARG  96  -6.733 -18.967   5.440
  772   2HB   ARG  96          HB1       ARG  96  -6.332 -17.463   4.620
  773   1HG   ARG  96          HG2       ARG  96  -8.297 -16.844   5.569
  774   2HG   ARG  96          HG1       ARG  96  -8.923 -17.513   4.061
  775   1HD   ARG  96          HD2       ARG  96 -10.257 -18.414   5.797
  776   2HD   ARG  96          HD1       ARG  96  -9.175 -19.705   5.278
  777    HE   ARG  96           HE       ARG  96  -7.963 -18.370   7.405
  778   1HH1  ARG  96          HH11      ARG  96 -10.755 -20.357   6.791
  779   2HH1  ARG  96          HH12      ARG  96 -10.797 -21.021   8.390
  780   1HH2  ARG  96          HH21      ARG  96  -8.008 -19.236   9.515
  781   2HH2  ARG  96          HH22      ARG  96  -9.235 -20.384   9.939
  782    H    LYS  97           HN       LYS  97  -9.292 -19.009   2.411
  783    HA   LYS  97           HA       LYS  97 -10.062 -21.628   3.364
  784   1HB   LYS  97          HB2       LYS  97 -12.287 -20.998   2.487
  785   2HB   LYS  97          HB1       LYS  97 -11.648 -19.809   3.610
  786   1HG   LYS  97          HG2       LYS  97 -10.804 -18.665   1.342
  787   2HG   LYS  97          HG1       LYS  97 -12.180 -19.583   0.700
  788   1HD   LYS  97          HD2       LYS  97 -13.296 -17.706   1.307
  789   2HD   LYS  97          HD1       LYS  97 -13.336 -18.525   2.871
  790   1HE   LYS  97          HE2       LYS  97 -11.053 -17.331   3.238
  791   2HE   LYS  97          HE1       LYS  97 -11.617 -16.272   1.946
  792   1HZ   LYS  97          HZ1       LYS  97 -13.038 -16.794   4.498
  793   2HZ   LYS  97          HZ2       LYS  97 -13.590 -15.788   3.257
  794   3HZ   LYS  97          HZ3       LYS  97 -12.186 -15.386   4.109
  795    H    LYS  98           HN       LYS  98  -8.647 -22.876   2.046
  796    HA   LYS  98           HA       LYS  98  -9.223 -22.854  -0.830
  797   1HB   LYS  98          HB2       LYS  98  -6.989 -24.207   0.693
  798   2HB   LYS  98          HB1       LYS  98  -7.184 -24.218  -1.054
  799   1HG   LYS  98          HG2       LYS  98  -6.977 -21.729  -1.015
  800   2HG   LYS  98          HG1       LYS  98  -6.573 -21.845   0.701
  801   1HD   LYS  98          HD2       LYS  98  -4.651 -23.242   0.169
  802   2HD   LYS  98          HD1       LYS  98  -5.065 -23.183  -1.545
  803   1HE   LYS  98          HE2       LYS  98  -4.731 -20.767  -1.552
  804   2HE   LYS  98          HE1       LYS  98  -4.352 -20.806   0.169
  805   1HZ   LYS  98          HZ1       LYS  98  -2.360 -20.728  -1.221
  806   2HZ   LYS  98          HZ2       LYS  98  -2.797 -22.192  -1.948
  807   3HZ   LYS  98          HZ3       LYS  98  -2.419 -22.147  -0.300
  808   1H    MET   1          HT1       MET   1  18.394  -4.332  -4.497
  809   2H    MET   1          HT2       MET   1  19.329  -4.872  -3.200
  810   3H    MET   1          HT3       MET   1  18.095  -3.748  -2.938
  811    HA   MET   1           HA       MET   1  17.783  -6.582  -3.735
  812   1HB   MET   1          HB2       MET   1  17.365  -5.041  -1.256
  813   2HB   MET   1          HB1       MET   1  16.196  -6.270  -1.621
  814   1HG   MET   1          HG2       MET   1  18.170  -6.848  -0.101
  815   2HG   MET   1          HG1       MET   1  17.702  -7.992  -1.352
  816   1HE   MET   1          HE1       MET   1  19.283  -9.309  -2.080
  817   2HE   MET   1          HE2       MET   1  20.919  -8.949  -2.628
  818   3HE   MET   1          HE3       MET   1  19.538  -8.519  -3.633
  819    H    ALA   2           HN       ALA   2  15.711  -7.277  -4.147
  820    HA   ALA   2           HA       ALA   2  13.830  -5.168  -4.859
  821   1HB   ALA   2          HB1       ALA   2  12.872  -6.813  -6.490
  822   2HB   ALA   2          HB2       ALA   2  14.286  -7.819  -6.174
  823   3HB   ALA   2          HB3       ALA   2  14.483  -6.204  -6.852
  824    H    ALA   3           HN       ALA   3  11.842  -5.167  -3.963
  825    HA   ALA   3           HA       ALA   3  11.220  -6.956  -1.826
  826   1HB   ALA   3          HB1       ALA   3   9.391  -5.064  -3.304
  827   2HB   ALA   3          HB2       ALA   3  10.421  -4.627  -1.940
  828   3HB   ALA   3          HB3       ALA   3   9.115  -5.787  -1.722
  829    H    GLU   4           HN       GLU   4  11.178  -9.049  -2.567
  830    HA   GLU   4           HA       GLU   4   9.946  -9.880  -4.977
  831   1HB   GLU   4          HB2       GLU   4  11.770 -11.114  -3.921
  832   2HB   GLU   4          HB1       GLU   4  10.741 -11.468  -2.543
  833   1HG   GLU   4          HG2       GLU   4  11.107 -13.275  -4.324
  834   2HG   GLU   4          HG1       GLU   4   9.472 -13.007  -3.709
  835    H    THR   5           HN       THR   5   8.960 -11.187  -1.799
  836    HA   THR   5           HA       THR   5   6.225 -11.186  -2.811
  837    HB   THR   5           HB       THR   5   7.349 -12.497  -0.342
  838    HG1  THR   5           HG1      THR   5   7.812 -13.261  -2.651
  839   1HG2  THR   5          HG21      THR   5   5.260 -13.568  -0.057
  840   2HG2  THR   5          HG22      THR   5   4.660 -12.943  -1.592
  841   3HG2  THR   5          HG23      THR   5   4.925 -11.847  -0.239
  842    H    LEU   6           HN       LEU   6   6.817 -10.997   0.654
  843    HA   LEU   6           HA       LEU   6   5.267  -8.501   0.681
  844   1HB   LEU   6          HB2       LEU   6   5.751 -10.368   2.996
  845   2HB   LEU   6          HB1       LEU   6   4.587  -9.068   2.909
  846    HG   LEU   6           HG       LEU   6   3.819 -10.690   0.839
  847   1HD1  LEU   6          HD11      LEU   6   5.464 -12.378   1.660
  848   2HD1  LEU   6          HD12      LEU   6   3.800 -12.953   1.671
  849   3HD1  LEU   6          HD13      LEU   6   4.566 -12.450   3.173
  850   1HD2  LEU   6          HD21      LEU   6   1.933 -11.232   2.256
  851   2HD2  LEU   6          HD22      LEU   6   2.403  -9.552   2.509
  852   3HD2  LEU   6          HD23      LEU   6   2.849 -10.780   3.693
  853    H    THR   7           HN       THR   7   6.485  -6.724   0.985
  854    HA   THR   7           HA       THR   7   9.015  -6.925   2.287
  855    HB   THR   7           HB       THR   7   8.358  -4.210   2.268
  856    HG1  THR   7           HG1      THR   7   7.567  -3.934   0.105
  857   1HG2  THR   7          HG21      THR   7   9.804  -5.671   0.030
  858   2HG2  THR   7          HG22      THR   7  10.518  -5.307   1.602
  859   3HG2  THR   7          HG23      THR   7  10.010  -3.993   0.550
  860    H    GLU   8           HN       GLU   8   9.464  -5.384   4.236
  861    HA   GLU   8           HA       GLU   8   8.155  -6.321   6.437
  862   1HB   GLU   8          HB2       GLU   8   9.065  -3.480   6.413
  863   2HB   GLU   8          HB1       GLU   8   9.157  -4.644   7.720
  864   1HG   GLU   8          HG2       GLU   8  10.859  -4.546   5.243
  865   2HG   GLU   8          HG1       GLU   8  11.360  -4.286   6.911
  866    H    LEU   9           HN       LEU   9   7.136  -3.818   4.298
  867    HA   LEU   9           HA       LEU   9   5.261  -2.428   5.738
  868   1HB   LEU   9          HB2       LEU   9   4.667  -3.276   2.948
  869   2HB   LEU   9          HB1       LEU   9   4.321  -1.753   3.722
  870    HG   LEU   9           HG       LEU   9   6.911  -2.751   2.608
  871   1HD1  LEU   9          HD11      LEU   9   4.991  -0.595   2.023
  872   2HD1  LEU   9          HD12      LEU   9   5.970  -1.585   0.945
  873   3HD1  LEU   9          HD13      LEU   9   6.703  -0.231   1.802
  874   1HD2  LEU   9          HD21      LEU   9   6.529  -0.994   4.910
  875   2HD2  LEU   9          HD22      LEU   9   7.556  -0.326   3.641
  876   3HD2  LEU   9          HD23      LEU   9   7.953  -1.880   4.372
  877    H    GLU  10           HN       GLU  10   5.048  -5.732   4.673
  878    HA   GLU  10           HA       GLU  10   2.274  -6.050   4.691
  879   1HB   GLU  10          HB2       GLU  10   2.859  -8.441   5.510
  880   2HB   GLU  10          HB1       GLU  10   3.394  -7.931   3.908
  881   1HG   GLU  10          HG2       GLU  10   5.500  -8.356   4.471
  882   2HG   GLU  10          HG1       GLU  10   5.394  -7.240   5.830
  883    H    ALA  11           HN       ALA  11   4.535  -5.583   7.275
  884    HA   ALA  11           HA       ALA  11   2.836  -6.389   9.410
  885   1HB   ALA  11          HB1       ALA  11   5.452  -5.575   9.231
  886   2HB   ALA  11          HB2       ALA  11   4.559  -5.781  10.736
  887   3HB   ALA  11          HB3       ALA  11   4.681  -4.186   9.995
  888    H    ALA  12           HN       ALA  12   3.347  -3.487   7.555
  889    HA   ALA  12           HA       ALA  12   1.668  -1.779   9.069
  890   1HB   ALA  12          HB1       ALA  12   2.412  -1.578   6.149
  891   2HB   ALA  12          HB2       ALA  12   3.378  -0.955   7.484
  892   3HB   ALA  12          HB3       ALA  12   1.781  -0.282   7.162
  893    H    ILE  13           HN       ILE  13   1.181  -4.075   6.461
  894    HA   ILE  13           HA       ILE  13  -1.367  -3.361   5.662
  895    HB   ILE  13           HB       ILE  13   0.121  -5.943   5.621
  896   1HG1  ILE  13          HG12      ILE  13  -0.201  -5.729   3.229
  897   2HG1  ILE  13          HG11      ILE  13  -1.331  -4.402   3.471
  898   1HG2  ILE  13          HG21      ILE  13  -1.756  -7.130   4.584
  899   2HG2  ILE  13          HG22      ILE  13  -2.811  -5.761   4.932
  900   3HG2  ILE  13          HG23      ILE  13  -2.112  -6.694   6.255
  901   1HD1  ILE  13          HD11      ILE  13   0.415  -2.980   4.281
  902   2HD1  ILE  13          HD12      ILE  13   0.912  -3.678   2.739
  903   3HD1  ILE  13          HD13      ILE  13   1.568  -4.310   4.247
  904    H    GLU  14           HN       GLU  14  -0.244  -4.741   8.607
  905    HA   GLU  14           HA       GLU  14  -2.550  -5.983   9.560
  906   1HB   GLU  14          HB2       GLU  14  -0.382  -4.527  11.082
  907   2HB   GLU  14          HB1       GLU  14  -1.590  -5.573  11.817
  908   1HG   GLU  14          HG2       GLU  14  -0.736  -7.456  10.488
  909   2HG   GLU  14          HG1       GLU  14   0.507  -6.399   9.822
  910    H    THR  15           HN       THR  15  -1.649  -2.571   9.431
  911    HA   THR  15           HA       THR  15  -3.762  -1.758  11.138
  912    HB   THR  15           HB       THR  15  -2.123  -0.105   9.228
  913    HG1  THR  15           HG1      THR  15  -1.081   0.463  11.321
  914   1HG2  THR  15          HG21      THR  15  -4.179   1.029   9.842
  915   2HG2  THR  15          HG22      THR  15  -2.813   1.789  10.660
  916   3HG2  THR  15          HG23      THR  15  -3.879   0.700  11.549
  917    H    VAL  16           HN       VAL  16  -3.111  -1.095   7.735
  918    HA   VAL  16           HA       VAL  16  -5.461  -0.041   6.874
  919    HB   VAL  16           HB       VAL  16  -3.517  -0.320   5.445
  920   1HG1  VAL  16          HG11      VAL  16  -2.995  -2.611   6.293
  921   2HG1  VAL  16          HG12      VAL  16  -2.889  -2.450   4.541
  922   3HG1  VAL  16          HG13      VAL  16  -4.287  -3.236   5.270
  923   1HG2  VAL  16          HG21      VAL  16  -5.058   0.035   3.874
  924   2HG2  VAL  16          HG22      VAL  16  -6.227  -1.031   4.640
  925   3HG2  VAL  16          HG23      VAL  16  -5.002  -1.693   3.557
  926    H    VAL  17           HN       VAL  17  -4.784  -3.492   7.264
  927    HA   VAL  17           HA       VAL  17  -7.240  -4.429   6.233
  928    HB   VAL  17           HB       VAL  17  -5.220  -5.835   6.475
  929   1HG1  VAL  17          HG11      VAL  17  -4.596  -5.005   8.741
  930   2HG1  VAL  17          HG12      VAL  17  -4.580  -6.761   8.590
  931   3HG1  VAL  17          HG13      VAL  17  -5.923  -5.958   9.403
  932   1HG2  VAL  17          HG21      VAL  17  -7.378  -6.873   6.124
  933   2HG2  VAL  17          HG22      VAL  17  -7.699  -6.851   7.858
  934   3HG2  VAL  17          HG23      VAL  17  -6.406  -7.862   7.214
  935    H    SER  18           HN       SER  18  -6.083  -3.660   9.483
  936    HA   SER  18           HA       SER  18  -8.568  -4.417  10.731
  937   1HB   SER  18          HB2       SER  18  -6.107  -3.062  11.851
  938   2HB   SER  18          HB1       SER  18  -7.487  -3.594  12.813
  939    HG   SER  18           HG       SER  18  -5.410  -5.036  11.830
  940    H    THR  19           HN       THR  19  -7.347  -1.570   9.274
  941    HA   THR  19           HA       THR  19  -9.058   0.194  10.807
  942    HB   THR  19           HB       THR  19  -8.226   2.008   9.357
  943    HG1  THR  19           HG1      THR  19  -7.096  -0.172   7.991
  944   1HG2  THR  19          HG21      THR  19  -6.081   0.235  10.526
  945   2HG2  THR  19          HG22      THR  19  -7.009   1.460  11.389
  946   3HG2  THR  19          HG23      THR  19  -5.886   1.938  10.116
  947    H    PHE  20           HN       PHE  20  -8.759   0.503   7.329
  948    HA   PHE  20           HA       PHE  20 -11.504   1.083   6.992
  949   1HB   PHE  20          HB2       PHE  20  -9.976   2.168   5.567
  950   2HB   PHE  20          HB1       PHE  20  -9.179   0.662   5.177
  951    HD1  PHE  20           HD1      PHE  20  -9.222   0.971   2.845
  952    HD2  PHE  20           HD2      PHE  20 -12.825   1.054   5.097
  953    HE1  PHE  20           HE1      PHE  20 -10.515   0.835   0.759
  954    HE2  PHE  20           HE2      PHE  20 -14.129   0.919   3.011
  955    HZ   PHE  20           HZ       PHE  20 -12.974   0.807   0.842
  956    H    PHE  21           HN       PHE  21  -9.516  -1.723   6.231
  957    HA   PHE  21           HA       PHE  21 -11.557  -3.016   4.877
  958   1HB   PHE  21          HB2       PHE  21  -9.143  -4.260   6.177
  959   2HB   PHE  21          HB1       PHE  21 -10.145  -5.019   4.951
  960    HD1  PHE  21           HD1      PHE  21  -7.401  -5.004   4.384
  961    HD2  PHE  21           HD2      PHE  21 -10.161  -1.801   3.877
  962    HE1  PHE  21           HE1      PHE  21  -5.927  -3.991   2.706
  963    HE2  PHE  21           HE2      PHE  21  -8.687  -0.798   2.208
  964    HZ   PHE  21           HZ       PHE  21  -6.570  -1.889   1.601
  965    H    THR  22           HN       THR  22 -11.554  -2.263   8.062
  966    HA   THR  22           HA       THR  22 -12.824  -4.508   9.132
  967    HB   THR  22           HB       THR  22 -13.872  -2.950  10.734
  968    HG1  THR  22           HG1      THR  22 -13.874  -1.255   8.857
  969   1HG2  THR  22          HG21      THR  22 -11.741  -1.902  11.544
  970   2HG2  THR  22          HG22      THR  22 -10.974  -2.498  10.067
  971   3HG2  THR  22          HG23      THR  22 -11.653  -3.637  11.233
  972    H    PHE  23           HN       PHE  23 -13.788  -2.273   6.720
  973    HA   PHE  23           HA       PHE  23 -16.546  -2.333   7.042
  974   1HB   PHE  23          HB2       PHE  23 -16.691  -1.153   5.018
  975   2HB   PHE  23          HB1       PHE  23 -15.222  -0.659   5.831
  976    HD1  PHE  23           HD1      PHE  23 -16.328  -0.642   2.781
  977    HD2  PHE  23           HD2      PHE  23 -13.334  -2.698   4.983
  978    HE1  PHE  23           HE1      PHE  23 -14.949  -0.786   0.757
  979    HE2  PHE  23           HE2      PHE  23 -11.944  -2.860   2.966
  980    HZ   PHE  23           HZ       PHE  23 -12.751  -1.913   0.838
  981    H    ALA  24           HN       ALA  24 -14.541  -4.767   5.477
  982    HA   ALA  24           HA       ALA  24 -16.460  -6.050   3.906
  983   1HB   ALA  24          HB1       ALA  24 -14.139  -7.012   5.528
  984   2HB   ALA  24          HB2       ALA  24 -14.384  -7.067   3.783
  985   3HB   ALA  24          HB3       ALA  24 -15.243  -8.197   4.829
  986    H    GLY  25           HN       GLY  25 -16.321  -5.696   7.340
  987   1HA   GLY  25          HA2       GLY  25 -17.745  -7.745   8.389
  988   2HA   GLY  25          HA1       GLY  25 -18.024  -6.076   8.875
  989    H    ARG  26           HN       ARG  26 -18.962  -5.325   6.188
  990    HA   ARG  26           HA       ARG  26 -21.697  -5.608   6.445
  991   1HB   ARG  26          HB2       ARG  26 -20.672  -3.980   4.942
  992   2HB   ARG  26          HB1       ARG  26 -20.061  -5.269   3.909
  993   1HG   ARG  26          HG2       ARG  26 -22.357  -5.899   3.358
  994   2HG   ARG  26          HG1       ARG  26 -22.963  -4.605   4.395
  995   1HD   ARG  26          HD2       ARG  26 -21.759  -2.966   2.994
  996   2HD   ARG  26          HD1       ARG  26 -21.256  -4.278   1.930
  997    HE   ARG  26           HE       ARG  26 -23.878  -3.067   2.096
  998   1HH1  ARG  26          HH11      ARG  26 -22.002  -5.797   0.999
  999   2HH1  ARG  26          HH12      ARG  26 -23.149  -6.257  -0.214
 1000   1HH2  ARG  26          HH21      ARG  26 -25.387  -3.671   0.504
 1001   2HH2  ARG  26          HH22      ARG  26 -25.071  -5.051  -0.495
 1002    H    GLU  27           HN       GLU  27 -19.662  -7.284   4.068
 1003    HA   GLU  27           HA       GLU  27 -21.652  -9.421   3.880
 1004   1HB   GLU  27          HB2       GLU  27 -19.108  -9.011   2.299
 1005   2HB   GLU  27          HB1       GLU  27 -20.368 -10.185   1.951
 1006   1HG   GLU  27          HG2       GLU  27 -21.949  -8.356   1.551
 1007   2HG   GLU  27          HG1       GLU  27 -20.660  -7.192   1.862
 1008    H    GLY  28           HN       GLY  28 -21.375 -11.438   4.690
 1009   1HA   GLY  28          HA2       GLY  28 -18.728 -12.071   5.839
 1010   2HA   GLY  28          HA1       GLY  28 -20.213 -12.388   6.716
 1011    H    ARG  29           HN       ARG  29 -18.138 -13.383   4.112
 1012    HA   ARG  29           HA       ARG  29 -19.252 -16.046   4.287
 1013   1HB   ARG  29          HB2       ARG  29 -19.817 -16.325   2.019
 1014   2HB   ARG  29          HB1       ARG  29 -20.515 -14.775   2.462
 1015   1HG   ARG  29          HG2       ARG  29 -17.874 -15.094   1.042
 1016   2HG   ARG  29          HG1       ARG  29 -19.419 -14.811   0.233
 1017   1HD   ARG  29          HD2       ARG  29 -18.060 -12.993   2.216
 1018   2HD   ARG  29          HD1       ARG  29 -18.227 -12.724   0.482
 1019    HE   ARG  29           HE       ARG  29 -20.232 -12.297   2.505
 1020   1HH1  ARG  29          HH11      ARG  29 -19.623 -12.857  -0.877
 1021   2HH1  ARG  29          HH12      ARG  29 -21.117 -12.150  -1.397
 1022   1HH2  ARG  29          HH21      ARG  29 -22.202 -11.365   1.833
 1023   2HH2  ARG  29          HH22      ARG  29 -22.584 -11.302   0.145
 1024    H    LYS  30           HN       LYS  30 -17.957 -17.111   2.035
 1025    HA   LYS  30           HA       LYS  30 -15.164 -16.853   2.890
 1026   1HB   LYS  30          HB2       LYS  30 -14.876 -19.033   1.644
 1027   2HB   LYS  30          HB1       LYS  30 -15.909 -19.105   3.065
 1028   1HG   LYS  30          HG2       LYS  30 -17.886 -18.998   1.614
 1029   2HG   LYS  30          HG1       LYS  30 -16.829 -18.969   0.201
 1030   1HD   LYS  30          HD2       LYS  30 -16.973 -21.181   2.248
 1031   2HD   LYS  30          HD1       LYS  30 -17.705 -21.219   0.643
 1032   1HE   LYS  30          HE2       LYS  30 -14.756 -20.964   1.231
 1033   2HE   LYS  30          HE1       LYS  30 -15.575 -22.434   0.707
 1034   1HZ   LYS  30          HZ1       LYS  30 -16.175 -21.326  -1.353
 1035   2HZ   LYS  30          HZ2       LYS  30 -14.497 -21.312  -1.140
 1036   3HZ   LYS  30          HZ3       LYS  30 -15.397 -19.910  -0.849
 1037    H    GLY  31           HN       GLY  31 -15.953 -14.775   1.369
 1038   1HA   GLY  31          HA2       GLY  31 -14.457 -15.220  -1.099
 1039   2HA   GLY  31          HA1       GLY  31 -16.072 -14.523  -1.221
 1040    H    SER  32           HN       SER  32 -16.248 -12.353  -1.055
 1041    HA   SER  32           HA       SER  32 -14.112 -10.924   0.300
 1042   1HB   SER  32          HB2       SER  32 -13.091 -10.538  -1.633
 1043   2HB   SER  32          HB1       SER  32 -14.502 -10.967  -2.591
 1044    HG   SER  32           HG       SER  32 -15.156  -8.914  -2.557
 1045    H    LEU  33           HN       LEU  33 -14.412  -8.557   0.141
 1046    HA   LEU  33           HA       LEU  33 -17.106  -7.932   0.959
 1047   1HB   LEU  33          HB2       LEU  33 -15.815  -6.975   2.533
 1048   2HB   LEU  33          HB1       LEU  33 -14.422  -6.869   1.491
 1049    HG   LEU  33           HG       LEU  33 -16.739  -4.951   1.237
 1050   1HD1  LEU  33          HD11      LEU  33 -16.188  -4.298   3.301
 1051   2HD1  LEU  33          HD12      LEU  33 -14.952  -3.459   2.409
 1052   3HD1  LEU  33          HD13      LEU  33 -14.559  -4.966   3.206
 1053   1HD2  LEU  33          HD21      LEU  33 -14.073  -5.244   0.047
 1054   2HD2  LEU  33          HD22      LEU  33 -14.542  -3.604   0.472
 1055   3HD2  LEU  33          HD23      LEU  33 -15.525  -4.553  -0.639
 1056    H    ASN  34           HN       ASN  34 -18.071  -5.873   0.183
 1057    HA   ASN  34           HA       ASN  34 -17.342  -5.468  -2.594
 1058   1HB   ASN  34          HB2       ASN  34 -19.922  -5.397  -1.075
 1059   2HB   ASN  34          HB1       ASN  34 -19.786  -4.524  -2.604
 1060   1HD2  ASN  34          HD21      ASN  34 -21.331  -5.842  -3.577
 1061   2HD2  ASN  34          HD22      ASN  34 -20.989  -7.471  -4.043
 1062    H    ILE  35           HN       ILE  35 -18.483  -3.196  -3.149
 1063    HA   ILE  35           HA       ILE  35 -16.969  -1.336  -1.491
 1064    HB   ILE  35           HB       ILE  35 -17.527   0.265  -3.485
 1065   1HG1  ILE  35          HG12      ILE  35 -17.693  -0.902  -5.618
 1066   2HG1  ILE  35          HG11      ILE  35 -17.687  -2.458  -4.794
 1067   1HG2  ILE  35          HG21      ILE  35 -15.302  -0.287  -2.873
 1068   2HG2  ILE  35          HG22      ILE  35 -15.443  -0.556  -4.606
 1069   3HG2  ILE  35          HG23      ILE  35 -15.465  -1.927  -3.495
 1070   1HD1  ILE  35          HD11      ILE  35 -19.809  -0.341  -4.586
 1071   2HD1  ILE  35          HD12      ILE  35 -19.789  -1.858  -3.687
 1072   3HD1  ILE  35          HD13      ILE  35 -19.930  -1.876  -5.447
 1073    H    ASN  36           HN       ASN  36 -19.660  -2.367  -0.870
 1074    HA   ASN  36           HA       ASN  36 -21.506  -0.213  -1.158
 1075   1HB   ASN  36          HB2       ASN  36 -21.431  -2.649   0.630
 1076   2HB   ASN  36          HB1       ASN  36 -22.737  -1.469   0.701
 1077   1HD2  ASN  36          HD21      ASN  36 -21.221  -3.963  -1.179
 1078   2HD2  ASN  36          HD22      ASN  36 -22.507  -4.175  -2.313
 1079    H    GLU  37           HN       GLU  37 -19.849  -1.580   1.696
 1080    HA   GLU  37           HA       GLU  37 -20.229   0.698   3.292
 1081   1HB   GLU  37          HB2       GLU  37 -18.010  -1.337   3.342
 1082   2HB   GLU  37          HB1       GLU  37 -18.268  -0.129   4.594
 1083   1HG   GLU  37          HG2       GLU  37 -20.693  -1.224   4.550
 1084   2HG   GLU  37          HG1       GLU  37 -19.742  -2.610   3.997
 1085    H    PHE  38           HN       PHE  38 -17.761  -0.132   0.905
 1086    HA   PHE  38           HA       PHE  38 -15.893   1.808   1.297
 1087   1HB   PHE  38          HB2       PHE  38 -16.049   0.072  -0.588
 1088   2HB   PHE  38          HB1       PHE  38 -17.028   1.254  -1.446
 1089    HD1  PHE  38           HD1      PHE  38 -13.860  -0.037  -1.211
 1090    HD2  PHE  38           HD2      PHE  38 -15.862   3.709  -1.386
 1091    HE1  PHE  38           HE1      PHE  38 -11.805   1.014  -2.053
 1092    HE2  PHE  38           HE2      PHE  38 -13.813   4.771  -2.239
 1093    HZ   PHE  38           HZ       PHE  38 -11.780   3.422  -2.575
 1094    H    LYS  39           HN       LYS  39 -19.153   2.129   0.084
 1095    HA   LYS  39           HA       LYS  39 -19.053   4.726  -0.927
 1096   1HB   LYS  39          HB2       LYS  39 -21.372   3.318   0.347
 1097   2HB   LYS  39          HB1       LYS  39 -21.466   4.735  -0.703
 1098   1HG   LYS  39          HG2       LYS  39 -20.182   3.350  -2.397
 1099   2HG   LYS  39          HG1       LYS  39 -20.573   1.969  -1.383
 1100   1HD   LYS  39          HD2       LYS  39 -22.567   3.878  -2.618
 1101   2HD   LYS  39          HD1       LYS  39 -22.163   2.288  -3.260
 1102   1HE   LYS  39          HE2       LYS  39 -23.015   1.241  -1.235
 1103   2HE   LYS  39          HE1       LYS  39 -23.369   2.828  -0.550
 1104   1HZ   LYS  39          HZ1       LYS  39 -24.939   3.212  -2.349
 1105   2HZ   LYS  39          HZ2       LYS  39 -25.350   1.816  -1.487
 1106   3HZ   LYS  39          HZ3       LYS  39 -24.603   1.686  -2.999
 1107    H    GLU  40           HN       GLU  40 -18.825   3.677   2.274
 1108    HA   GLU  40           HA       GLU  40 -19.615   6.202   3.419
 1109   1HB   GLU  40          HB2       GLU  40 -19.348   5.216   5.497
 1110   2HB   GLU  40          HB1       GLU  40 -19.694   3.799   4.518
 1111   1HG   GLU  40          HG2       GLU  40 -17.434   3.114   4.541
 1112   2HG   GLU  40          HG1       GLU  40 -16.884   4.666   5.153
 1113    H    LEU  41           HN       LEU  41 -17.082   5.317   1.543
 1114    HA   LEU  41           HA       LEU  41 -14.917   6.408   3.053
 1115   1HB   LEU  41          HB2       LEU  41 -15.104   5.443   0.210
 1116   2HB   LEU  41          HB1       LEU  41 -13.621   5.946   0.988
 1117    HG   LEU  41           HG       LEU  41 -14.826   3.366   0.889
 1118   1HD1  LEU  41          HD11      LEU  41 -12.629   3.072   0.756
 1119   2HD1  LEU  41          HD12      LEU  41 -12.571   3.247   2.510
 1120   3HD1  LEU  41          HD13      LEU  41 -12.298   4.645   1.477
 1121   1HD2  LEU  41          HD21      LEU  41 -14.626   2.759   3.306
 1122   2HD2  LEU  41          HD22      LEU  41 -16.005   3.793   2.937
 1123   3HD2  LEU  41          HD23      LEU  41 -14.563   4.478   3.689
 1124    H    ALA  42           HN       ALA  42 -15.312   7.144  -0.336
 1125    HA   ALA  42           HA       ALA  42 -14.295   9.638  -0.358
 1126   1HB   ALA  42          HB1       ALA  42 -16.287   9.879  -2.213
 1127   2HB   ALA  42          HB2       ALA  42 -16.027   8.138  -2.100
 1128   3HB   ALA  42          HB3       ALA  42 -14.679   9.207  -2.474
 1129    H    THR  43           HN       THR  43 -17.467   8.718   0.671
 1130    HA   THR  43           HA       THR  43 -18.632  11.251   0.762
 1131    HB   THR  43           HB       THR  43 -20.074  10.162   2.614
 1132    HG1  THR  43           HG1      THR  43 -18.797   7.793   1.663
 1133   1HG2  THR  43          HG21      THR  43 -21.168   8.659   0.902
 1134   2HG2  THR  43          HG22      THR  43 -19.837   9.065  -0.175
 1135   3HG2  THR  43          HG23      THR  43 -20.918  10.330   0.395
 1136    H    GLN  44           HN       GLN  44 -17.241   9.336   3.424
 1137    HA   GLN  44           HA       GLN  44 -17.050  11.639   5.178
 1138   1HB   GLN  44          HB2       GLN  44 -16.002   8.819   5.537
 1139   2HB   GLN  44          HB1       GLN  44 -16.221  10.027   6.807
 1140   1HG   GLN  44          HG2       GLN  44 -18.628   9.969   6.468
 1141   2HG   GLN  44          HG1       GLN  44 -18.426   8.808   5.151
 1142   1HE2  GLN  44          HE21      GLN  44 -19.699   7.280   6.191
 1143   2HE2  GLN  44          HE22      GLN  44 -19.143   6.393   7.566
 1144    H    GLN  45           HN       GLN  45 -15.025   9.982   2.962
 1145    HA   GLN  45           HA       GLN  45 -12.522  10.983   3.972
 1146   1HB   GLN  45          HB2       GLN  45 -13.333   9.639   1.398
 1147   2HB   GLN  45          HB1       GLN  45 -11.671  10.048   1.820
 1148   1HG   GLN  45          HG2       GLN  45 -12.346   8.660   3.996
 1149   2HG   GLN  45          HG1       GLN  45 -13.422   7.898   2.836
 1150   1HE2  GLN  45          HE21      GLN  45 -11.398   8.483   0.656
 1151   2HE2  GLN  45          HE22      GLN  45 -10.188   7.270   0.856
 1152    H    LEU  46           HN       LEU  46 -14.999  11.841   1.660
 1153    HA   LEU  46           HA       LEU  46 -14.028  13.559  -0.119
 1154   1HB   LEU  46          HB2       LEU  46 -16.515  13.333   1.298
 1155   2HB   LEU  46          HB1       LEU  46 -16.133  15.029   1.118
 1156    HG   LEU  46           HG       LEU  46 -16.682  12.993  -1.023
 1157   1HD1  LEU  46          HD11      LEU  46 -18.285  14.671  -1.755
 1158   2HD1  LEU  46          HD12      LEU  46 -17.777  15.736  -0.445
 1159   3HD1  LEU  46          HD13      LEU  46 -18.567  14.202  -0.079
 1160   1HD2  LEU  46          HD21      LEU  46 -15.259  15.631  -1.300
 1161   2HD2  LEU  46          HD22      LEU  46 -16.080  14.832  -2.640
 1162   3HD2  LEU  46          HD23      LEU  46 -14.716  14.044  -1.848
 1163    HA   PRO  47           HA       PRO  47 -13.093  16.951   2.962
 1164   1HB   PRO  47          HB2       PRO  47 -13.935  16.850   5.491
 1165   2HB   PRO  47          HB1       PRO  47 -15.075  17.252   4.203
 1166   1HG   PRO  47          HG2       PRO  47 -14.705  14.697   5.696
 1167   2HG   PRO  47          HG1       PRO  47 -16.200  15.443   5.103
 1168   1HD   PRO  47          HD2       PRO  47 -14.732  13.400   3.832
 1169   2HD   PRO  47          HD1       PRO  47 -16.027  14.368   3.107
 1170    H    HIS  48           HN       HIS  48 -11.077  15.840   2.640
 1171    HA   HIS  48           HA       HIS  48  -9.997  14.507   5.002
 1172   1HB   HIS  48          HB2       HIS  48  -9.766  13.847   2.410
 1173   2HB   HIS  48          HB1       HIS  48  -8.328  14.860   2.579
 1174    HD1  HIS  48           HD1      HIS  48  -9.850  11.692   3.955
 1175    HD2  HIS  48           HD2      HIS  48  -6.214  13.703   3.924
 1176    HE1  HIS  48           HE1      HIS  48  -8.189  10.091   4.955
 1177    HE2  HIS  48           HE2      HIS  48  -5.978  11.293   4.834
 1178    H    LEU  49           HN       LEU  49  -7.255  15.393   4.255
 1179    HA   LEU  49           HA       LEU  49  -7.343  17.990   5.508
 1180   1HB   LEU  49          HB2       LEU  49  -5.061  16.287   4.484
 1181   2HB   LEU  49          HB1       LEU  49  -4.823  17.890   5.153
 1182    HG   LEU  49           HG       LEU  49  -5.909  15.482   6.613
 1183   1HD1  LEU  49          HD11      LEU  49  -3.870  15.712   7.954
 1184   2HD1  LEU  49          HD12      LEU  49  -3.337  17.027   6.906
 1185   3HD1  LEU  49          HD13      LEU  49  -3.508  15.397   6.257
 1186   1HD2  LEU  49          HD21      LEU  49  -5.490  18.313   7.564
 1187   2HD2  LEU  49          HD22      LEU  49  -5.880  16.938   8.597
 1188   3HD2  LEU  49          HD23      LEU  49  -7.035  17.482   7.381
 1189    H    LEU  50           HN       LEU  50  -5.180  17.276   2.821
 1190    HA   LEU  50           HA       LEU  50  -6.147  19.604   1.377
 1191   1HB   LEU  50          HB2       LEU  50  -4.217  19.410   0.020
 1192   2HB   LEU  50          HB1       LEU  50  -3.703  19.103   1.667
 1193    HG   LEU  50           HG       LEU  50  -4.417  16.675   0.185
 1194   1HD1  LEU  50          HD11      LEU  50  -2.185  18.456  -0.755
 1195   2HD1  LEU  50          HD12      LEU  50  -3.497  17.756  -1.705
 1196   3HD1  LEU  50          HD13      LEU  50  -2.225  16.719  -1.057
 1197   1HD2  LEU  50          HD21      LEU  50  -2.175  16.011   1.115
 1198   2HD2  LEU  50          HD22      LEU  50  -3.389  16.470   2.310
 1199   3HD2  LEU  50          HD23      LEU  50  -2.107  17.601   1.876
 1200    H    LYS  51           HN       LYS  51  -7.775  17.082   1.591
 1201    HA   LYS  51           HA       LYS  51  -7.843  15.370  -0.454
 1202   1HB   LYS  51          HB2       LYS  51  -9.555  15.847   1.464
 1203   2HB   LYS  51          HB1       LYS  51 -10.400  16.747   0.232
 1204   1HG   LYS  51          HG2       LYS  51 -11.244  14.454   0.478
 1205   2HG   LYS  51          HG1       LYS  51 -10.629  14.765  -1.137
 1206   1HD   LYS  51          HD2       LYS  51  -8.942  13.303  -0.921
 1207   2HD   LYS  51          HD1       LYS  51  -8.738  13.608   0.805
 1208   1HE   LYS  51          HE2       LYS  51  -9.672  11.327   0.097
 1209   2HE   LYS  51          HE1       LYS  51 -10.523  12.197   1.375
 1210   1HZ   LYS  51          HZ1       LYS  51 -12.328  12.458   0.099
 1211   2HZ   LYS  51          HZ2       LYS  51 -11.696  11.192  -0.823
 1212   3HZ   LYS  51          HZ3       LYS  51 -11.440  12.797  -1.294
 1213    H    ASP  52           HN       ASP  52  -9.184  15.212  -2.314
 1214    HA   ASP  52           HA       ASP  52  -9.083  17.644  -3.949
 1215   1HB   ASP  52          HB2       ASP  52  -7.746  15.789  -4.808
 1216   2HB   ASP  52          HB1       ASP  52  -9.147  14.722  -4.755
 1217    H    VAL  53           HN       VAL  53 -11.273  16.300  -2.039
 1218    HA   VAL  53           HA       VAL  53 -13.517  16.053  -2.006
 1219    HB   VAL  53           HB       VAL  53 -13.271  18.237  -4.061
 1220   1HG1  VAL  53          HG11      VAL  53 -15.482  17.396  -4.287
 1221   2HG1  VAL  53          HG12      VAL  53 -15.606  18.834  -3.277
 1222   3HG1  VAL  53          HG13      VAL  53 -15.669  17.233  -2.542
 1223   1HG2  VAL  53          HG21      VAL  53 -13.652  19.750  -2.199
 1224   2HG2  VAL  53          HG22      VAL  53 -12.240  18.736  -1.897
 1225   3HG2  VAL  53          HG23      VAL  53 -13.769  18.381  -1.094
 1226    H    GLY  54           HN       GLY  54 -13.081  13.913  -2.998
 1227   1HA   GLY  54          HA2       GLY  54 -13.179  13.072  -5.523
 1228   2HA   GLY  54          HA1       GLY  54 -14.056  12.247  -4.246
 1229    H    SER  55           HN       SER  55 -14.298  13.645  -7.180
 1230    HA   SER  55           HA       SER  55 -16.625  15.103  -7.254
 1231   1HB   SER  55          HB2       SER  55 -14.886  14.503  -9.046
 1232   2HB   SER  55          HB1       SER  55 -15.921  13.112  -9.386
 1233    HG   SER  55           HG       SER  55 -16.626  14.738 -10.708
 1234    H    LEU  56           HN       LEU  56 -18.518  13.955  -8.818
 1235    HA   LEU  56           HA       LEU  56 -19.838  12.262  -6.905
 1236   1HB   LEU  56          HB2       LEU  56 -20.744  13.321  -9.579
 1237   2HB   LEU  56          HB1       LEU  56 -21.755  12.381  -8.498
 1238    HG   LEU  56           HG       LEU  56 -22.287  14.731  -8.290
 1239   1HD1  LEU  56          HD11      LEU  56 -20.776  13.713  -5.888
 1240   2HD1  LEU  56          HD12      LEU  56 -22.461  13.369  -6.285
 1241   3HD1  LEU  56          HD13      LEU  56 -21.968  15.013  -5.882
 1242   1HD2  LEU  56          HD21      LEU  56 -20.727  16.401  -7.667
 1243   2HD2  LEU  56          HD22      LEU  56 -19.997  15.511  -9.004
 1244   3HD2  LEU  56          HD23      LEU  56 -19.469  15.208  -7.348
 1245    H    ASP  57           HN       ASP  57 -19.605  11.837 -10.440
 1246    HA   ASP  57           HA       ASP  57 -20.096   9.105 -10.387
 1247   1HB   ASP  57          HB2       ASP  57 -18.901  10.945 -12.379
 1248   2HB   ASP  57          HB1       ASP  57 -18.641   9.211 -12.589
 1249    H    GLU  58           HN       GLU  58 -17.219  10.882  -9.982
 1250    HA   GLU  58           HA       GLU  58 -15.243   9.014 -10.444
 1251   1HB   GLU  58          HB2       GLU  58 -14.953  11.459  -9.777
 1252   2HB   GLU  58          HB1       GLU  58 -15.195  10.934  -8.112
 1253   1HG   GLU  58          HG2       GLU  58 -13.266   9.379  -8.404
 1254   2HG   GLU  58          HG1       GLU  58 -12.992  10.096  -9.990
 1255    H    LYS  59           HN       LYS  59 -17.393   9.471  -7.755
 1256    HA   LYS  59           HA       LYS  59 -16.225   7.499  -6.093
 1257   1HB   LYS  59          HB2       LYS  59 -18.764   9.068  -6.050
 1258   2HB   LYS  59          HB1       LYS  59 -18.621   7.666  -5.004
 1259   1HG   LYS  59          HG2       LYS  59 -18.093   9.862  -3.934
 1260   2HG   LYS  59          HG1       LYS  59 -16.819   8.658  -3.792
 1261   1HD   LYS  59          HD2       LYS  59 -16.522  10.310  -6.168
 1262   2HD   LYS  59          HD1       LYS  59 -16.549  11.264  -4.690
 1263   1HE   LYS  59          HE2       LYS  59 -14.585  10.431  -3.953
 1264   2HE   LYS  59          HE1       LYS  59 -14.871   8.842  -4.639
 1265   1HZ   LYS  59          HZ1       LYS  59 -14.298   9.670  -6.803
 1266   2HZ   LYS  59          HZ2       LYS  59 -13.043  10.026  -5.727
 1267   3HZ   LYS  59          HZ3       LYS  59 -14.117  11.241  -6.207
 1268    H    MET  60           HN       MET  60 -18.662   7.539  -8.567
 1269    HA   MET  60           HA       MET  60 -19.691   4.918  -7.940
 1270   1HB   MET  60          HB2       MET  60 -20.171   6.749 -10.290
 1271   2HB   MET  60          HB1       MET  60 -21.014   5.226 -10.027
 1272   1HG   MET  60          HG2       MET  60 -21.879   6.102  -7.895
 1273   2HG   MET  60          HG1       MET  60 -21.085   7.639  -8.230
 1274   1HE   MET  60          HE1       MET  60 -22.843   5.296 -10.870
 1275   2HE   MET  60          HE2       MET  60 -24.496   5.907 -10.809
 1276   3HE   MET  60          HE3       MET  60 -23.808   5.084  -9.409
 1277    H    LYS  61           HN       LYS  61 -17.122   6.114  -9.880
 1278    HA   LYS  61           HA       LYS  61 -17.098   3.858 -11.701
 1279   1HB   LYS  61          HB2       LYS  61 -14.624   5.398 -11.596
 1280   2HB   LYS  61          HB1       LYS  61 -15.675   5.048 -12.958
 1281   1HG   LYS  61          HG2       LYS  61 -17.170   6.887 -12.179
 1282   2HG   LYS  61          HG1       LYS  61 -15.950   7.279 -10.965
 1283   1HD   LYS  61          HD2       LYS  61 -15.652   8.726 -12.868
 1284   2HD   LYS  61          HD1       LYS  61 -14.302   7.590 -12.796
 1285   1HE   LYS  61          HE2       LYS  61 -15.105   7.846 -15.082
 1286   2HE   LYS  61          HE1       LYS  61 -15.375   6.204 -14.499
 1287   1HZ   LYS  61          HZ1       LYS  61 -17.294   7.072 -15.698
 1288   2HZ   LYS  61          HZ2       LYS  61 -17.429   8.347 -14.594
 1289   3HZ   LYS  61          HZ3       LYS  61 -17.680   6.755 -14.081
 1290    H    THR  62           HN       THR  62 -14.510   5.120  -9.641
 1291    HA   THR  62           HA       THR  62 -12.984   2.844  -9.559
 1292    HB   THR  62           HB       THR  62 -13.316   4.730  -7.235
 1293    HG1  THR  62           HG1      THR  62 -12.844   5.856  -9.175
 1294   1HG2  THR  62          HG21      THR  62 -10.967   3.046  -8.099
 1295   2HG2  THR  62          HG22      THR  62 -12.036   2.686  -6.744
 1296   3HG2  THR  62          HG23      THR  62 -11.017   4.125  -6.704
 1297    H    LEU  63           HN       LEU  63 -15.932   3.546  -7.899
 1298    HA   LEU  63           HA       LEU  63 -15.946   1.787  -5.785
 1299   1HB   LEU  63          HB2       LEU  63 -17.752   3.300  -6.167
 1300   2HB   LEU  63          HB1       LEU  63 -18.156   2.538  -7.692
 1301    HG   LEU  63           HG       LEU  63 -18.277   0.932  -5.192
 1302   1HD1  LEU  63          HD11      LEU  63 -20.732   1.663  -5.082
 1303   2HD1  LEU  63          HD12      LEU  63 -20.205   3.075  -6.001
 1304   3HD1  LEU  63          HD13      LEU  63 -19.513   2.745  -4.414
 1305   1HD2  LEU  63          HD21      LEU  63 -19.709   0.950  -7.834
 1306   2HD2  LEU  63          HD22      LEU  63 -20.267  -0.007  -6.464
 1307   3HD2  LEU  63          HD23      LEU  63 -18.679  -0.311  -7.162
 1308    H    ASP  64           HN       ASP  64 -17.350   1.020  -8.981
 1309    HA   ASP  64           HA       ASP  64 -17.452  -1.748  -8.497
 1310   1HB   ASP  64          HB2       ASP  64 -17.350  -0.272 -11.134
 1311   2HB   ASP  64          HB1       ASP  64 -17.786  -1.969 -10.937
 1312    H    VAL  65           HN       VAL  65 -14.936   0.357  -9.720
 1313    HA   VAL  65           HA       VAL  65 -13.232  -1.534 -10.866
 1314    HB   VAL  65           HB       VAL  65 -12.468   0.948  -9.307
 1315   1HG1  VAL  65          HG11      VAL  65 -10.578  -0.557  -9.488
 1316   2HG1  VAL  65          HG12      VAL  65 -10.350   0.829 -10.554
 1317   3HG1  VAL  65          HG13      VAL  65 -10.848  -0.725 -11.223
 1318   1HG2  VAL  65          HG21      VAL  65 -13.920   1.438 -11.196
 1319   2HG2  VAL  65          HG22      VAL  65 -12.863   0.515 -12.265
 1320   3HG2  VAL  65          HG23      VAL  65 -12.279   2.000 -11.513
 1321    H    ASN  66           HN       ASN  66 -12.579  -0.084  -7.677
 1322    HA   ASN  66           HA       ASN  66 -11.359  -2.548  -6.779
 1323   1HB   ASN  66          HB2       ASN  66 -11.910  -0.201  -4.985
 1324   2HB   ASN  66          HB1       ASN  66 -10.589  -1.373  -4.930
 1325   1HD2  ASN  66          HD21      ASN  66 -10.516   1.555  -4.960
 1326   2HD2  ASN  66          HD22      ASN  66  -9.534   1.988  -6.314
 1327    H    GLN  67           HN       GLN  67 -14.019  -3.064  -7.330
 1328    HA   GLN  67           HA       GLN  67 -15.862  -2.644  -5.336
 1329   1HB   GLN  67          HB2       GLN  67 -17.115  -4.427  -6.246
 1330   2HB   GLN  67          HB1       GLN  67 -16.239  -3.717  -7.589
 1331   1HG   GLN  67          HG2       GLN  67 -15.390  -6.203  -6.129
 1332   2HG   GLN  67          HG1       GLN  67 -16.332  -6.185  -7.614
 1333   1HE2  GLN  67          HE21      GLN  67 -13.424  -6.995  -6.787
 1334   2HE2  GLN  67          HE22      GLN  67 -12.470  -6.315  -8.055
 1335    H    ASP  68           HN       ASP  68 -13.598  -5.301  -5.667
 1336    HA   ASP  68           HA       ASP  68 -14.173  -6.260  -3.019
 1337   1HB   ASP  68          HB2       ASP  68 -12.402  -7.348  -5.204
 1338   2HB   ASP  68          HB1       ASP  68 -12.598  -8.097  -3.626
 1339    H    SER  69           HN       SER  69 -13.036  -3.672  -3.118
 1340    HA   SER  69           HA       SER  69 -10.266  -3.585  -2.907
 1341   1HB   SER  69          HB2       SER  69 -10.690  -1.620  -1.312
 1342   2HB   SER  69          HB1       SER  69 -11.441  -1.495  -2.905
 1343    HG   SER  69           HG       SER  69 -13.387  -1.800  -2.033
 1344    H    GLU  70           HN       GLU  70 -12.566  -5.088  -0.907
 1345    HA   GLU  70           HA       GLU  70 -10.420  -5.958   0.856
 1346   1HB   GLU  70          HB2       GLU  70 -11.796  -4.566   2.245
 1347   2HB   GLU  70          HB1       GLU  70 -13.239  -5.396   1.690
 1348   1HG   GLU  70          HG2       GLU  70 -12.736  -7.342   2.797
 1349   2HG   GLU  70          HG1       GLU  70 -11.029  -6.933   2.939
 1350    H    LEU  71           HN       LEU  71 -10.568  -8.081   1.477
 1351    HA   LEU  71           HA       LEU  71 -12.711  -9.623   0.371
 1352   1HB   LEU  71          HB2       LEU  71 -11.380 -11.080  -0.903
 1353   2HB   LEU  71          HB1       LEU  71 -11.124  -9.427  -1.417
 1354    HG   LEU  71           HG       LEU  71  -9.025 -10.430  -1.449
 1355   1HD1  LEU  71          HD11      LEU  71  -9.274  -8.216  -0.200
 1356   2HD1  LEU  71          HD12      LEU  71  -7.783  -9.103  -0.008
 1357   3HD1  LEU  71          HD13      LEU  71  -8.985  -9.167   1.256
 1358   1HD2  LEU  71          HD21      LEU  71  -9.154 -11.362   1.367
 1359   2HD2  LEU  71          HD22      LEU  71  -8.153 -11.936   0.033
 1360   3HD2  LEU  71          HD23      LEU  71  -9.860 -12.324   0.079
 1361    H    ARG  72           HN       ARG  72 -12.623 -11.849   0.825
 1362    HA   ARG  72           HA       ARG  72 -11.429 -12.478   3.425
 1363   1HB   ARG  72          HB2       ARG  72 -13.522 -14.186   2.173
 1364   2HB   ARG  72          HB1       ARG  72 -13.277 -13.801   3.872
 1365   1HG   ARG  72          HG2       ARG  72 -14.545 -12.079   1.771
 1366   2HG   ARG  72          HG1       ARG  72 -15.348 -12.862   3.128
 1367   1HD   ARG  72          HD2       ARG  72 -13.304 -10.658   3.261
 1368   2HD   ARG  72          HD1       ARG  72 -15.029 -10.515   3.586
 1369    HE   ARG  72           HE       ARG  72 -14.182 -12.420   5.336
 1370   1HH1  ARG  72          HH11      ARG  72 -13.206  -9.153   4.628
 1371   2HH1  ARG  72          HH12      ARG  72 -12.690  -8.819   6.248
 1372   1HH2  ARG  72          HH21      ARG  72 -13.507 -11.992   7.470
 1373   2HH2  ARG  72          HH22      ARG  72 -12.862 -10.435   7.864
 1374    H    PHE  73           HN       PHE  73 -11.821 -13.365   0.079
 1375    HA   PHE  73           HA       PHE  73 -10.211 -15.728   0.397
 1376   1HB   PHE  73          HB2       PHE  73 -10.961 -16.298  -1.892
 1377   2HB   PHE  73          HB1       PHE  73 -12.239 -16.161  -0.723
 1378    HD1  PHE  73           HD1      PHE  73 -11.399 -12.846  -1.615
 1379    HD2  PHE  73           HD2      PHE  73 -13.327 -16.337  -3.110
 1380    HE1  PHE  73           HE1      PHE  73 -12.645 -11.483  -3.205
 1381    HE2  PHE  73           HE2      PHE  73 -14.581 -14.957  -4.703
 1382    HZ   PHE  73           HZ       PHE  73 -14.239 -12.524  -4.757
 1383    H    SER  74           HN       SER  74 -10.011 -14.284  -2.791
 1384    HA   SER  74           HA       SER  74  -7.195 -13.799  -2.237
 1385   1HB   SER  74          HB2       SER  74  -8.415 -15.526  -4.289
 1386   2HB   SER  74          HB1       SER  74  -7.084 -14.506  -4.839
 1387    HG   SER  74           HG       SER  74  -5.770 -15.428  -3.278
 1388    H    GLU  75           HN       GLU  75  -9.617 -12.051  -2.618
 1389    HA   GLU  75           HA       GLU  75  -9.044 -10.569  -5.014
 1390   1HB   GLU  75          HB2       GLU  75 -10.995 -10.642  -2.893
 1391   2HB   GLU  75          HB1       GLU  75 -10.602  -8.991  -3.346
 1392   1HG   GLU  75          HG2       GLU  75 -11.583 -11.166  -5.175
 1393   2HG   GLU  75          HG1       GLU  75 -12.544  -9.841  -4.520
 1394    H    TYR  76           HN       TYR  76  -7.143 -10.844  -2.442
 1395    HA   TYR  76           HA       TYR  76  -6.848  -8.380  -1.355
 1396   1HB   TYR  76          HB2       TYR  76  -5.177 -10.766  -1.449
 1397   2HB   TYR  76          HB1       TYR  76  -4.268  -9.273  -1.217
 1398    HD1  TYR  76           HD1      TYR  76  -5.136  -7.707   0.694
 1399    HD2  TYR  76           HD2      TYR  76  -6.230 -11.784   0.270
 1400    HE1  TYR  76           HE1      TYR  76  -5.931  -7.718   2.992
 1401    HE2  TYR  76           HE2      TYR  76  -7.029 -11.823   2.572
 1402    HH   TYR  76           HH       TYR  76  -7.475  -8.989   4.411
 1403    H    TRP  77           HN       TRP  77  -5.999  -9.362  -4.472
 1404    HA   TRP  77           HA       TRP  77  -3.959  -7.451  -5.006
 1405   1HB   TRP  77          HB2       TRP  77  -4.504  -7.820  -7.377
 1406   2HB   TRP  77          HB1       TRP  77  -4.390  -9.351  -6.515
 1407    HD1  TRP  77           HD1      TRP  77  -7.245  -6.855  -7.368
 1408    HE1  TRP  77           HE1      TRP  77  -9.288  -8.230  -8.083
 1409    HE3  TRP  77           HE3      TRP  77  -5.365 -11.547  -6.673
 1410    HZ2  TRP  77           HZ2      TRP  77 -10.042 -10.953  -8.254
 1411    HZ3  TRP  77           HZ3      TRP  77  -6.810 -13.475  -7.073
 1412    HH2  TRP  77           HH2      TRP  77  -9.102 -13.188  -7.845
 1413    H    ARG  78           HN       ARG  78  -7.286  -7.059  -4.366
 1414    HA   ARG  78           HA       ARG  78  -7.590  -4.725  -5.967
 1415   1HB   ARG  78          HB2       ARG  78  -9.347  -6.059  -3.930
 1416   2HB   ARG  78          HB1       ARG  78  -9.754  -4.473  -4.583
 1417   1HG   ARG  78          HG2       ARG  78  -9.173  -6.730  -6.427
 1418   2HG   ARG  78          HG1       ARG  78 -10.726  -6.624  -5.618
 1419   1HD   ARG  78          HD2       ARG  78 -10.399  -5.571  -7.968
 1420   2HD   ARG  78          HD1       ARG  78 -11.348  -4.728  -6.750
 1421    HE   ARG  78           HE       ARG  78  -9.061  -3.559  -6.322
 1422   1HH1  ARG  78          HH11      ARG  78 -10.406  -4.433  -9.441
 1423   2HH1  ARG  78          HH12      ARG  78  -9.554  -3.185 -10.280
 1424   1HH2  ARG  78          HH21      ARG  78  -7.964  -1.927  -7.441
 1425   2HH2  ARG  78          HH22      ARG  78  -8.178  -1.765  -9.152
 1426    H    LEU  79           HN       LEU  79  -6.688  -5.552  -2.751
 1427    HA   LEU  79           HA       LEU  79  -6.890  -2.859  -1.774
 1428   1HB   LEU  79          HB2       LEU  79  -5.338  -4.585  -0.116
 1429   2HB   LEU  79          HB1       LEU  79  -6.858  -3.810   0.244
 1430    HG   LEU  79           HG       LEU  79  -6.368  -6.590  -0.848
 1431   1HD1  LEU  79          HD11      LEU  79  -6.262  -6.216   1.577
 1432   2HD1  LEU  79          HD12      LEU  79  -7.616  -7.246   1.121
 1433   3HD1  LEU  79          HD13      LEU  79  -7.898  -5.558   1.538
 1434   1HD2  LEU  79          HD21      LEU  79  -8.321  -6.679  -1.873
 1435   2HD2  LEU  79          HD22      LEU  79  -8.555  -4.959  -1.586
 1436   3HD2  LEU  79          HD23      LEU  79  -9.137  -6.133  -0.418
 1437    H    ILE  80           HN       ILE  80  -4.761  -4.522  -3.692
 1438    HA   ILE  80           HA       ILE  80  -2.267  -3.758  -2.726
 1439    HB   ILE  80           HB       ILE  80  -2.825  -5.424  -4.598
 1440   1HG1  ILE  80          HG12      ILE  80  -0.640  -3.426  -5.222
 1441   2HG1  ILE  80          HG11      ILE  80  -0.526  -4.613  -3.924
 1442   1HG2  ILE  80          HG21      ILE  80  -4.167  -3.752  -5.907
 1443   2HG2  ILE  80          HG22      ILE  80  -2.979  -4.662  -6.831
 1444   3HG2  ILE  80          HG23      ILE  80  -2.647  -2.994  -6.367
 1445   1HD1  ILE  80          HD11      ILE  80   0.645  -5.378  -5.890
 1446   2HD1  ILE  80          HD12      ILE  80  -0.817  -5.198  -6.860
 1447   3HD1  ILE  80          HD13      ILE  80  -0.753  -6.407  -5.577
 1448    H    GLY  81           HN       GLY  81  -4.443  -2.137  -5.036
 1449   1HA   GLY  81          HA2       GLY  81  -2.723   0.179  -5.205
 1450   2HA   GLY  81          HA1       GLY  81  -4.268  -0.039  -6.011
 1451    H    GLU  82           HN       GLU  82  -4.926  -0.845  -2.912
 1452    HA   GLU  82           HA       GLU  82  -6.270   1.632  -2.396
 1453   1HB   GLU  82          HB2       GLU  82  -5.906  -0.855  -0.800
 1454   2HB   GLU  82          HB1       GLU  82  -6.914   0.480  -0.280
 1455   1HG   GLU  82          HG2       GLU  82  -7.316  -1.177  -2.760
 1456   2HG   GLU  82          HG1       GLU  82  -8.259  -1.278  -1.275
 1457    H    LEU  83           HN       LEU  83  -3.921  -0.231  -0.477
 1458    HA   LEU  83           HA       LEU  83  -3.330   1.712   1.400
 1459   1HB   LEU  83          HB2       LEU  83  -2.019  -0.707   0.382
 1460   2HB   LEU  83          HB1       LEU  83  -0.904   0.483   1.024
 1461    HG   LEU  83           HG       LEU  83  -3.270  -0.547   2.583
 1462   1HD1  LEU  83          HD11      LEU  83  -2.094  -2.499   2.434
 1463   2HD1  LEU  83          HD12      LEU  83  -1.246  -1.752   3.788
 1464   3HD1  LEU  83          HD13      LEU  83  -0.554  -1.682   2.168
 1465   1HD2  LEU  83          HD21      LEU  83  -2.414   1.571   3.365
 1466   2HD2  LEU  83          HD22      LEU  83  -0.765   0.944   3.360
 1467   3HD2  LEU  83          HD23      LEU  83  -1.948   0.299   4.494
 1468    H    ALA  84           HN       ALA  84  -2.462   1.445  -1.919
 1469    HA   ALA  84           HA       ALA  84  -0.294   3.259  -1.823
 1470   1HB   ALA  84          HB1       ALA  84  -1.817   1.838  -3.869
 1471   2HB   ALA  84          HB2       ALA  84  -0.095   2.216  -3.797
 1472   3HB   ALA  84          HB3       ALA  84  -1.240   3.418  -4.393
 1473    H    LYS  85           HN       LYS  85  -3.785   3.634  -2.225
 1474    HA   LYS  85           HA       LYS  85  -4.026   6.195  -3.194
 1475   1HB   LYS  85          HB2       LYS  85  -5.698   4.396  -1.805
 1476   2HB   LYS  85          HB1       LYS  85  -5.828   5.954  -1.004
 1477   1HG   LYS  85          HG2       LYS  85  -7.520   5.774  -2.686
 1478   2HG   LYS  85          HG1       LYS  85  -6.346   6.990  -3.185
 1479   1HD   LYS  85          HD2       LYS  85  -6.901   5.633  -5.087
 1480   2HD   LYS  85          HD1       LYS  85  -5.253   5.244  -4.590
 1481   1HE   LYS  85          HE2       LYS  85  -6.125   3.302  -3.349
 1482   2HE   LYS  85          HE1       LYS  85  -7.740   3.666  -3.950
 1483   1HZ   LYS  85          HZ1       LYS  85  -6.925   3.347  -6.211
 1484   2HZ   LYS  85          HZ2       LYS  85  -6.697   1.953  -5.280
 1485   3HZ   LYS  85          HZ3       LYS  85  -5.385   2.966  -5.621
 1486    H    GLU  86           HN       GLU  86  -2.816   5.172  -0.180
 1487    HA   GLU  86           HA       GLU  86  -2.908   7.742   1.075
 1488   1HB   GLU  86          HB2       GLU  86  -1.185   5.458   1.948
 1489   2HB   GLU  86          HB1       GLU  86  -1.989   6.674   2.925
 1490   1HG   GLU  86          HG2       GLU  86  -3.238   4.348   1.503
 1491   2HG   GLU  86          HG1       GLU  86  -3.113   4.610   3.231
 1492    H    VAL  87           HN       VAL  87  -0.308   5.594  -0.029
 1493    HA   VAL  87           HA       VAL  87   1.685   7.603   0.231
 1494    HB   VAL  87           HB       VAL  87   2.025   5.114  -1.390
 1495   1HG1  VAL  87          HG11      VAL  87   4.211   5.554  -1.286
 1496   2HG1  VAL  87          HG12      VAL  87   4.124   6.050   0.403
 1497   3HG1  VAL  87          HG13      VAL  87   3.700   7.191  -0.873
 1498   1HG2  VAL  87          HG21      VAL  87   2.106   5.395   1.610
 1499   2HG2  VAL  87          HG22      VAL  87   2.743   4.014   0.721
 1500   3HG2  VAL  87          HG23      VAL  87   1.019   4.373   0.670
 1501    H    ARG  88           HN       ARG  88  -0.728   7.281  -2.012
 1502    HA   ARG  88           HA       ARG  88   0.718   7.981  -4.378
 1503   1HB   ARG  88          HB2       ARG  88  -1.591   6.844  -4.196
 1504   2HB   ARG  88          HB1       ARG  88  -2.221   8.462  -3.922
 1505   1HG   ARG  88          HG2       ARG  88  -0.684   7.570  -6.354
 1506   2HG   ARG  88          HG1       ARG  88  -2.434   7.777  -6.256
 1507   1HD   ARG  88          HD2       ARG  88  -2.023  10.172  -5.640
 1508   2HD   ARG  88          HD1       ARG  88  -0.317   9.904  -5.997
 1509    HE   ARG  88           HE       ARG  88  -1.658   9.079  -8.241
 1510   1HH1  ARG  88          HH11      ARG  88  -1.427  12.027  -6.404
 1511   2HH1  ARG  88          HH12      ARG  88  -1.693  13.054  -7.773
 1512   1HH2  ARG  88          HH21      ARG  88  -2.007  10.421 -10.051
 1513   2HH2  ARG  88          HH22      ARG  88  -2.024  12.140  -9.846
 1514    H    LYS  89           HN       LYS  89  -1.776   9.839  -2.619
 1515    HA   LYS  89           HA       LYS  89  -1.160  12.326  -3.691
 1516   1HB   LYS  89          HB2       LYS  89  -2.644  13.183  -2.163
 1517   2HB   LYS  89          HB1       LYS  89  -3.082  11.488  -2.056
 1518   1HG   LYS  89          HG2       LYS  89  -2.974  12.057   0.155
 1519   2HG   LYS  89          HG1       LYS  89  -1.313  11.463  -0.066
 1520   1HD   LYS  89          HD2       LYS  89  -0.764  13.930  -0.598
 1521   2HD   LYS  89          HD1       LYS  89  -2.340  14.301   0.095
 1522   1HE   LYS  89          HE2       LYS  89  -0.556  12.547   1.667
 1523   2HE   LYS  89          HE1       LYS  89  -0.099  14.238   1.540
 1524   1HZ   LYS  89          HZ1       LYS  89  -1.456  14.436   3.299
 1525   2HZ   LYS  89          HZ2       LYS  89  -2.306  13.018   2.959
 1526   3HZ   LYS  89          HZ3       LYS  89  -2.689  14.447   2.140
 1527    H    GLU  90           HN       GLU  90   0.128  10.614  -0.968
 1528    HA   GLU  90           HA       GLU  90   1.645  12.558   0.260
 1529   1HB   GLU  90          HB2       GLU  90   1.725   9.597   0.043
 1530   2HB   GLU  90          HB1       GLU  90   3.091  10.409   0.811
 1531   1HG   GLU  90          HG2       GLU  90   0.209  10.802   1.593
 1532   2HG   GLU  90          HG1       GLU  90   1.295   9.630   2.363
 1533    H    LYS  91           HN       LYS  91   2.107  10.990  -2.766
 1534    HA   LYS  91           HA       LYS  91   4.858  11.287  -3.096
 1535   1HB   LYS  91          HB2       LYS  91   4.516  10.750  -5.281
 1536   2HB   LYS  91          HB1       LYS  91   3.060  10.105  -4.562
 1537   1HG   LYS  91          HG2       LYS  91   1.780  11.994  -5.328
 1538   2HG   LYS  91          HG1       LYS  91   3.240  12.784  -5.928
 1539   1HD   LYS  91          HD2       LYS  91   3.573  10.883  -7.484
 1540   2HD   LYS  91          HD1       LYS  91   2.036  10.209  -6.937
 1541   1HE   LYS  91          HE2       LYS  91   0.881  12.221  -7.709
 1542   2HE   LYS  91          HE1       LYS  91   2.417  12.900  -8.247
 1543   1HZ   LYS  91          HZ1       LYS  91   1.198  11.918 -10.082
 1544   2HZ   LYS  91          HZ2       LYS  91   1.157  10.422  -9.294
 1545   3HZ   LYS  91          HZ3       LYS  91   2.634  11.064  -9.808
 1546    H    ALA  92           HN       ALA  92   2.222  13.487  -4.018
 1547    HA   ALA  92           HA       ALA  92   4.096  15.566  -4.715
 1548   1HB   ALA  92          HB1       ALA  92   2.201  16.857  -5.371
 1549   2HB   ALA  92          HB2       ALA  92   1.105  15.788  -4.496
 1550   3HB   ALA  92          HB3       ALA  92   1.953  15.202  -5.928
 1551    H    LEU  93           HN       LEU  93   1.985  14.878  -1.968
 1552    HA   LEU  93           HA       LEU  93   2.507  17.464  -0.802
 1553   1HB   LEU  93          HB2       LEU  93   0.413  16.033  -0.424
 1554   2HB   LEU  93          HB1       LEU  93   1.407  15.099   0.681
 1555    HG   LEU  93           HG       LEU  93   1.926  17.506   1.670
 1556   1HD1  LEU  93          HD11      LEU  93  -0.802  17.795   0.439
 1557   2HD1  LEU  93          HD12      LEU  93   0.634  18.739   0.058
 1558   3HD1  LEU  93          HD13      LEU  93  -0.118  18.879   1.647
 1559   1HD2  LEU  93          HD21      LEU  93   0.992  15.612   2.910
 1560   2HD2  LEU  93          HD22      LEU  93  -0.606  15.973   2.258
 1561   3HD2  LEU  93          HD23      LEU  93   0.187  17.123   3.333
 1562    H    GLY  94           HN       GLY  94   3.942  14.333  -0.750
 1563   1HA   GLY  94          HA2       GLY  94   5.229  14.099   1.619
 1564   2HA   GLY  94          HA1       GLY  94   5.982  13.680   0.088
 1565    H    ILE  95           HN       ILE  95   6.172  16.287  -0.991
 1566    HA   ILE  95           HA       ILE  95   8.610  17.103   0.139
 1567    HB   ILE  95           HB       ILE  95   8.320  19.164  -1.279
 1568   1HG1  ILE  95          HG12      ILE  95   5.912  17.672  -2.305
 1569   2HG1  ILE  95          HG11      ILE  95   5.832  19.122  -1.312
 1570   1HG2  ILE  95          HG21      ILE  95   8.451  16.400  -2.216
 1571   2HG2  ILE  95          HG22      ILE  95   9.650  17.686  -2.293
 1572   3HG2  ILE  95          HG23      ILE  95   8.304  17.661  -3.432
 1573   1HD1  ILE  95          HD11      ILE  95   6.972  20.379  -3.064
 1574   2HD1  ILE  95          HD12      ILE  95   5.487  19.633  -3.659
 1575   3HD1  ILE  95          HD13      ILE  95   7.052  18.923  -4.055
 1576    H    ARG  96           HN       ARG  96   7.526  17.175   2.396
 1577    HA   ARG  96           HA       ARG  96   5.979  19.387   3.157
 1578   1HB   ARG  96          HB2       ARG  96   6.778  18.963   5.426
 1579   2HB   ARG  96          HB1       ARG  96   6.375  17.450   4.626
 1580   1HG   ARG  96          HG2       ARG  96   8.350  16.842   5.539
 1581   2HG   ARG  96          HG1       ARG  96   8.961  17.526   4.031
 1582   1HD   ARG  96          HD2       ARG  96  10.292  18.426   5.779
 1583   2HD   ARG  96          HD1       ARG  96   9.208  19.710   5.247
 1584    HE   ARG  96           HE       ARG  96   7.985  18.380   7.371
 1585   1HH1  ARG  96          HH11      ARG  96  10.770  20.379   6.763
 1586   2HH1  ARG  96          HH12      ARG  96  10.803  21.044   8.362
 1587   1HH2  ARG  96          HH21      ARG  96   8.016  19.251   9.478
 1588   2HH2  ARG  96          HH22      ARG  96   9.237  20.403   9.906
 1589    H    LYS  97           HN       LYS  97   9.299  19.019   2.331
 1590    HA   LYS  97           HA       LYS  97  10.043  21.642   3.293
 1591   1HB   LYS  97          HB2       LYS  97  12.287  21.059   2.458
 1592   2HB   LYS  97          HB1       LYS  97  11.655  19.837   3.553
 1593   1HG   LYS  97          HG2       LYS  97  10.844  18.781   1.233
 1594   2HG   LYS  97          HG1       LYS  97  12.259  19.665   0.665
 1595   1HD   LYS  97          HD2       LYS  97  13.273  17.715   1.253
 1596   2HD   LYS  97          HD1       LYS  97  13.343  18.536   2.812
 1597   1HE   LYS  97          HE2       LYS  97  11.039  17.421   3.216
 1598   2HE   LYS  97          HE1       LYS  97  11.519  16.348   1.897
 1599   1HZ   LYS  97          HZ1       LYS  97  12.963  16.772   4.459
 1600   2HZ   LYS  97          HZ2       LYS  97  13.558  15.851   3.174
 1601   3HZ   LYS  97          HZ3       LYS  97  12.149  15.370   3.975
 1602    H    LYS  98           HN       LYS  98   8.638  22.885   1.987
 1603    HA   LYS  98           HA       LYS  98   9.219  22.872  -0.889
 1604   1HB   LYS  98          HB2       LYS  98   6.987  24.240   0.625
 1605   2HB   LYS  98          HB1       LYS  98   7.178  24.217  -1.122
 1606   1HG   LYS  98          HG2       LYS  98   6.964  21.728  -1.036
 1607   2HG   LYS  98          HG1       LYS  98   6.579  21.883   0.679
 1608   1HD   LYS  98          HD2       LYS  98   4.644  23.248   0.152
 1609   2HD   LYS  98          HD1       LYS  98   5.048  23.197  -1.565
 1610   1HE   LYS  98          HE2       LYS  98   4.727  20.777  -1.575
 1611   2HE   LYS  98          HE1       LYS  98   4.345  20.813   0.146
 1612   1HZ   LYS  98          HZ1       LYS  98   2.355  20.732  -1.247
 1613   2HZ   LYS  98          HZ2       LYS  98   2.789  22.196  -1.972
 1614   3HZ   LYS  98          HZ3       LYS  98   2.409  22.149  -0.324
  Start of MODEL   19
    1   1H    MET   1          HT1       MET   1 -18.635   3.280  -3.256
    2   2H    MET   1          HT2       MET   1 -19.620   4.187  -2.228
    3   3H    MET   1          HT3       MET   1 -18.150   3.571  -1.661
    4    HA   MET   1           HA       MET   1 -18.605   5.751  -3.592
    5   1HB   MET   1          HB2       MET   1 -17.249   5.502  -0.917
    6   2HB   MET   1          HB1       MET   1 -16.797   6.761  -2.030
    7   1HG   MET   1          HG2       MET   1 -18.845   6.802  -0.167
    8   2HG   MET   1          HG1       MET   1 -18.441   8.045  -1.283
    9   1HE   MET   1          HE1       MET   1 -22.455   7.400  -1.077
   10   2HE   MET   1          HE2       MET   1 -21.393   8.792  -1.274
   11   3HE   MET   1          HE3       MET   1 -21.136   7.670   0.063
   12    H    ALA   2           HN       ALA   2 -16.307   6.871  -3.862
   13    HA   ALA   2           HA       ALA   2 -14.567   4.790  -4.962
   14   1HB   ALA   2          HB1       ALA   2 -13.802   6.426  -6.588
   15   2HB   ALA   2          HB2       ALA   2 -14.820   7.659  -5.842
   16   3HB   ALA   2          HB3       ALA   2 -15.557   6.273  -6.644
   17    H    ALA   3           HN       ALA   3 -12.687   4.490  -3.991
   18    HA   ALA   3           HA       ALA   3 -11.789   6.223  -1.926
   19   1HB   ALA   3          HB1       ALA   3 -11.138   4.005  -1.609
   20   2HB   ALA   3          HB2       ALA   3  -9.650   4.768  -2.173
   21   3HB   ALA   3          HB3       ALA   3 -10.630   3.812  -3.286
   22    H    GLU   4           HN       GLU   4 -11.474   8.236  -2.685
   23    HA   GLU   4           HA       GLU   4 -10.179   8.825  -5.122
   24   1HB   GLU   4          HB2       GLU   4 -11.755  10.368  -4.084
   25   2HB   GLU   4          HB1       GLU   4 -10.687  10.566  -2.702
   26   1HG   GLU   4          HG2       GLU   4 -10.629  12.435  -4.324
   27   2HG   GLU   4          HG1       GLU   4  -9.058  11.691  -4.024
   28    H    THR   5           HN       THR   5  -8.917  10.178  -2.091
   29    HA   THR   5           HA       THR   5  -6.300   9.180  -2.966
   30    HB   THR   5           HB       THR   5  -6.892  11.601  -1.283
   31    HG1  THR   5           HG1      THR   5  -6.061  11.243  -3.982
   32   1HG2  THR   5          HG21      THR   5  -4.611  12.009  -1.161
   33   2HG2  THR   5          HG22      THR   5  -4.232  10.878  -2.453
   34   3HG2  THR   5          HG23      THR   5  -4.681  10.277  -0.864
   35    H    LEU   6           HN       LEU   6  -6.499  10.537   0.235
   36    HA   LEU   6           HA       LEU   6  -5.207   8.273   1.317
   37   1HB   LEU   6          HB2       LEU   6  -6.354  10.744   2.566
   38   2HB   LEU   6          HB1       LEU   6  -5.523   9.509   3.490
   39    HG   LEU   6           HG       LEU   6  -4.181  10.876   1.193
   40   1HD1  LEU   6          HD11      LEU   6  -4.799  11.910   3.915
   41   2HD1  LEU   6          HD12      LEU   6  -4.666  12.780   2.389
   42   3HD1  LEU   6          HD13      LEU   6  -3.212  12.258   3.238
   43   1HD2  LEU   6          HD21      LEU   6  -3.000   9.837   3.748
   44   2HD2  LEU   6          HD22      LEU   6  -2.185  10.200   2.227
   45   3HD2  LEU   6          HD23      LEU   6  -3.255   8.808   2.343
   46    H    THR   7           HN       THR   7  -6.859   6.568   0.992
   47    HA   THR   7           HA       THR   7  -9.306   6.770   2.429
   48    HB   THR   7           HB       THR   7  -8.628   4.045   2.358
   49    HG1  THR   7           HG1      THR   7  -7.570   3.739   0.535
   50   1HG2  THR   7          HG21      THR   7 -10.838   5.273   1.933
   51   2HG2  THR   7          HG22      THR   7 -10.510   3.798   1.026
   52   3HG2  THR   7          HG23      THR   7 -10.297   5.369   0.254
   53    H    GLU   8           HN       GLU   8  -9.751   5.300   4.352
   54    HA   GLU   8           HA       GLU   8  -8.342   6.011   6.550
   55   1HB   GLU   8          HB2       GLU   8  -9.203   3.164   6.447
   56   2HB   GLU   8          HB1       GLU   8  -9.309   4.313   7.766
   57   1HG   GLU   8          HG2       GLU   8 -11.035   4.208   5.311
   58   2HG   GLU   8          HG1       GLU   8 -11.511   3.889   6.978
   59    H    LEU   9           HN       LEU   9  -7.364   3.660   4.210
   60    HA   LEU   9           HA       LEU   9  -5.416   2.218   5.484
   61   1HB   LEU   9          HB2       LEU   9  -5.100   3.363   2.744
   62   2HB   LEU   9          HB1       LEU   9  -4.534   1.813   3.321
   63    HG   LEU   9           HG       LEU   9  -7.249   2.653   2.422
   64   1HD1  LEU   9          HD11      LEU   9  -7.110   0.486   1.249
   65   2HD1  LEU   9          HD12      LEU   9  -5.476   0.302   1.874
   66   3HD1  LEU   9          HD13      LEU   9  -5.864   1.641   0.799
   67   1HD2  LEU   9          HD21      LEU   9  -8.440   1.124   3.595
   68   2HD2  LEU   9          HD22      LEU   9  -7.213   1.458   4.808
   69   3HD2  LEU   9          HD23      LEU   9  -7.076   0.034   3.787
   70    H    GLU  10           HN       GLU  10  -5.386   5.580   4.538
   71    HA   GLU  10           HA       GLU  10  -2.693   6.136   4.324
   72   1HB   GLU  10          HB2       GLU  10  -3.384   8.381   5.472
   73   2HB   GLU  10          HB1       GLU  10  -4.023   7.963   3.889
   74   1HG   GLU  10          HG2       GLU  10  -6.080   8.049   4.613
   75   2HG   GLU  10          HG1       GLU  10  -5.726   6.924   5.920
   76    H    ALA  11           HN       ALA  11  -4.694   5.699   7.193
   77    HA   ALA  11           HA       ALA  11  -2.845   6.372   9.178
   78   1HB   ALA  11          HB1       ALA  11  -5.411   5.442   9.173
   79   2HB   ALA  11          HB2       ALA  11  -4.410   5.609  10.612
   80   3HB   ALA  11          HB3       ALA  11  -4.531   4.049   9.798
   81    H    ALA  12           HN       ALA  12  -3.270   3.481   7.269
   82    HA   ALA  12           HA       ALA  12  -1.404   1.862   8.670
   83   1HB   ALA  12          HB1       ALA  12  -1.548   0.359   6.800
   84   2HB   ALA  12          HB2       ALA  12  -2.243   1.621   5.785
   85   3HB   ALA  12          HB3       ALA  12  -3.162   0.978   7.146
   86    H    ILE  13           HN       ILE  13  -1.139   4.383   6.317
   87    HA   ILE  13           HA       ILE  13   1.293   3.824   5.149
   88    HB   ILE  13           HB       ILE  13  -0.395   5.849   4.857
   89   1HG1  ILE  13          HG12      ILE  13   1.350   7.005   3.509
   90   2HG1  ILE  13          HG11      ILE  13   2.568   5.986   4.276
   91   1HG2  ILE  13          HG21      ILE  13   1.838   7.301   6.238
   92   2HG2  ILE  13          HG22      ILE  13   0.373   6.825   7.094
   93   3HG2  ILE  13          HG23      ILE  13   0.271   7.921   5.717
   94   1HD1  ILE  13          HD11      ILE  13   0.772   5.418   2.075
   95   2HD1  ILE  13          HD12      ILE  13   0.747   4.169   3.317
   96   3HD1  ILE  13          HD13      ILE  13   2.270   4.622   2.550
   97    H    GLU  14           HN       GLU  14   0.525   4.870   8.350
   98    HA   GLU  14           HA       GLU  14   3.022   5.857   9.174
   99   1HB   GLU  14          HB2       GLU  14   0.848   4.544  10.811
  100   2HB   GLU  14          HB1       GLU  14   2.179   5.493  11.460
  101   1HG   GLU  14          HG2       GLU  14   1.359   7.464  10.292
  102   2HG   GLU  14          HG1       GLU  14   0.038   6.517   9.609
  103    H    THR  15           HN       THR  15   1.603   2.584   9.389
  104    HA   THR  15           HA       THR  15   3.775   1.448  10.818
  105    HB   THR  15           HB       THR  15   1.938   0.032   8.873
  106    HG1  THR  15           HG1      THR  15   0.825  -0.519  10.885
  107   1HG2  THR  15          HG21      THR  15   3.863  -1.317   9.374
  108   2HG2  THR  15          HG22      THR  15   2.491  -1.953  10.280
  109   3HG2  THR  15          HG23      THR  15   3.710  -0.977  11.097
  110    H    VAL  16           HN       VAL  16   2.947   1.253   7.391
  111    HA   VAL  16           HA       VAL  16   5.206  -0.023   6.439
  112    HB   VAL  16           HB       VAL  16   3.222   0.266   5.096
  113   1HG1  VAL  16          HG11      VAL  16   3.934   3.198   4.973
  114   2HG1  VAL  16          HG12      VAL  16   2.630   2.511   5.941
  115   3HG1  VAL  16          HG13      VAL  16   2.570   2.408   4.183
  116   1HG2  VAL  16          HG21      VAL  16   5.727   1.514   3.996
  117   2HG2  VAL  16          HG22      VAL  16   4.308   1.220   2.996
  118   3HG2  VAL  16          HG23      VAL  16   5.130  -0.124   3.778
  119    H    VAL  17           HN       VAL  17   4.628   3.476   6.767
  120    HA   VAL  17           HA       VAL  17   7.178   4.169   5.696
  121    HB   VAL  17           HB       VAL  17   5.195   5.694   5.675
  122   1HG1  VAL  17          HG11      VAL  17   5.887   6.446   8.489
  123   2HG1  VAL  17          HG12      VAL  17   4.708   5.178   8.165
  124   3HG1  VAL  17          HG13      VAL  17   4.431   6.813   7.564
  125   1HG2  VAL  17          HG21      VAL  17   6.493   7.738   6.112
  126   2HG2  VAL  17          HG22      VAL  17   7.414   6.543   5.200
  127   3HG2  VAL  17          HG23      VAL  17   7.721   6.767   6.922
  128    H    SER  18           HN       SER  18   5.877   3.721   8.932
  129    HA   SER  18           HA       SER  18   8.289   4.628  10.214
  130   1HB   SER  18          HB2       SER  18   5.873   3.212  11.362
  131   2HB   SER  18          HB1       SER  18   7.176   3.934  12.306
  132    HG   SER  18           HG       SER  18   5.032   5.135  11.566
  133    H    THR  19           HN       THR  19   7.352   1.742   8.735
  134    HA   THR  19           HA       THR  19   8.902   0.056  10.481
  135    HB   THR  19           HB       THR  19   8.444  -1.661   8.548
  136    HG1  THR  19           HG1      THR  19   7.421   0.387   7.391
  137   1HG2  THR  19          HG21      THR  19   6.273  -0.596  10.358
  138   2HG2  THR  19          HG22      THR  19   7.478  -1.816  10.772
  139   3HG2  THR  19          HG23      THR  19   6.251  -2.166   9.555
  140    H    PHE  20           HN       PHE  20   9.198  -0.249   7.010
  141    HA   PHE  20           HA       PHE  20  12.066  -0.489   7.281
  142   1HB   PHE  20          HB2       PHE  20  10.660  -2.085   5.925
  143   2HB   PHE  20          HB1       PHE  20  10.455  -0.779   4.760
  144    HD1  PHE  20           HD1      PHE  20  11.836  -1.021   2.918
  145    HD2  PHE  20           HD2      PHE  20  13.258  -2.161   6.760
  146    HE1  PHE  20           HE1      PHE  20  14.022  -1.600   1.937
  147    HE2  PHE  20           HE2      PHE  20  15.433  -2.741   5.796
  148    HZ   PHE  20           HZ       PHE  20  15.819  -2.464   3.391
  149    H    PHE  21           HN       PHE  21   9.736   1.618   5.805
  150    HA   PHE  21           HA       PHE  21  11.464   3.058   4.185
  151   1HB   PHE  21          HB2       PHE  21   9.018   3.978   5.699
  152   2HB   PHE  21          HB1       PHE  21   9.785   4.893   4.424
  153    HD1  PHE  21           HD1      PHE  21   7.173   4.661   3.739
  154    HD2  PHE  21           HD2      PHE  21  10.093   1.558   3.512
  155    HE1  PHE  21           HE1      PHE  21   5.763   3.464   2.115
  156    HE2  PHE  21           HE2      PHE  21   8.691   0.378   1.869
  157    HZ   PHE  21           HZ       PHE  21   6.534   1.339   1.167
  158    H    THR  22           HN       THR  22  11.209   2.860   7.599
  159    HA   THR  22           HA       THR  22  12.374   5.308   8.321
  160    HB   THR  22           HB       THR  22  13.102   4.191  10.361
  161    HG1  THR  22           HG1      THR  22  13.727   2.257   9.225
  162   1HG2  THR  22          HG21      THR  22  10.399   3.253   9.443
  163   2HG2  THR  22          HG22      THR  22  10.750   4.835  10.138
  164   3HG2  THR  22          HG23      THR  22  10.937   3.383  11.119
  165    H    PHE  23           HN       PHE  23  13.698   2.602   6.644
  166    HA   PHE  23           HA       PHE  23  16.385   2.894   7.476
  167   1HB   PHE  23          HB2       PHE  23  16.806   1.095   6.168
  168   2HB   PHE  23          HB1       PHE  23  15.064   1.025   6.006
  169    HD1  PHE  23           HD1      PHE  23  14.420   0.420   3.948
  170    HD2  PHE  23           HD2      PHE  23  17.810   2.948   4.307
  171    HE1  PHE  23           HE1      PHE  23  14.667   0.451   1.510
  172    HE2  PHE  23           HE2      PHE  23  18.056   2.989   1.887
  173    HZ   PHE  23           HZ       PHE  23  16.493   1.730   0.494
  174    H    ALA  24           HN       ALA  24  14.406   4.851   5.564
  175    HA   ALA  24           HA       ALA  24  15.924   6.103   3.675
  176   1HB   ALA  24          HB1       ALA  24  13.626   6.756   5.063
  177   2HB   ALA  24          HB2       ALA  24  14.365   7.730   3.793
  178   3HB   ALA  24          HB3       ALA  24  14.724   8.068   5.485
  179    H    GLY  25           HN       GLY  25  16.124   6.404   7.120
  180   1HA   GLY  25          HA2       GLY  25  17.781   8.445   7.665
  181   2HA   GLY  25          HA1       GLY  25  17.914   6.881   8.477
  182    H    ARG  26           HN       ARG  26  18.745   5.519   5.980
  183    HA   ARG  26           HA       ARG  26  21.469   5.496   6.227
  184   1HB   ARG  26          HB2       ARG  26  19.635   4.854   3.964
  185   2HB   ARG  26          HB1       ARG  26  21.364   4.881   3.657
  186   1HG   ARG  26          HG2       ARG  26  20.193   3.283   5.900
  187   2HG   ARG  26          HG1       ARG  26  20.283   2.663   4.253
  188   1HD   ARG  26          HD2       ARG  26  22.214   1.867   5.265
  189   2HD   ARG  26          HD1       ARG  26  22.756   3.268   4.343
  190    HE   ARG  26           HE       ARG  26  22.093   3.864   7.077
  191   1HH1  ARG  26          HH11      ARG  26  24.583   2.774   4.899
  192   2HH1  ARG  26          HH12      ARG  26  25.883   3.247   5.940
  193   1HH2  ARG  26          HH21      ARG  26  23.799   4.488   8.458
  194   2HH2  ARG  26          HH22      ARG  26  25.438   4.223   7.963
  195    H    GLU  27           HN       GLU  27  19.539   7.571   4.119
  196    HA   GLU  27           HA       GLU  27  21.907   8.931   3.137
  197   1HB   GLU  27          HB2       GLU  27  18.990   9.553   2.632
  198   2HB   GLU  27          HB1       GLU  27  20.364  10.198   1.744
  199   1HG   GLU  27          HG2       GLU  27  19.489   7.317   1.816
  200   2HG   GLU  27          HG1       GLU  27  19.245   8.449   0.487
  201    H    GLY  28           HN       GLY  28  22.774  10.628   4.100
  202   1HA   GLY  28          HA2       GLY  28  22.232  11.653   6.526
  203   2HA   GLY  28          HA1       GLY  28  22.942  12.627   5.252
  204    H    ARG  29           HN       ARG  29  21.553  13.931   3.950
  205    HA   ARG  29           HA       ARG  29  19.822  15.524   5.291
  206   1HB   ARG  29          HB2       ARG  29  20.691  16.030   3.052
  207   2HB   ARG  29          HB1       ARG  29  19.637  14.804   2.362
  208   1HG   ARG  29          HG2       ARG  29  17.682  16.070   3.010
  209   2HG   ARG  29          HG1       ARG  29  18.696  17.269   3.812
  210   1HD   ARG  29          HD2       ARG  29  19.749  17.774   1.635
  211   2HD   ARG  29          HD1       ARG  29  18.647  16.632   0.866
  212    HE   ARG  29           HE       ARG  29  17.179  18.539   2.336
  213   1HH1  ARG  29          HH11      ARG  29  19.077  18.219  -0.564
  214   2HH1  ARG  29          HH12      ARG  29  18.246  19.486  -1.403
  215   1HH2  ARG  29          HH21      ARG  29  16.075  20.207   1.241
  216   2HH2  ARG  29          HH22      ARG  29  16.538  20.616  -0.378
  217    H    LYS  30           HN       LYS  30  17.442  15.848   4.973
  218    HA   LYS  30           HA       LYS  30  16.072  13.286   5.361
  219   1HB   LYS  30          HB2       LYS  30  14.850  16.006   5.795
  220   2HB   LYS  30          HB1       LYS  30  14.398  14.470   6.521
  221   1HG   LYS  30          HG2       LYS  30  16.949  15.964   7.088
  222   2HG   LYS  30          HG1       LYS  30  15.510  15.968   8.109
  223   1HD   LYS  30          HD2       LYS  30  17.151  13.541   7.386
  224   2HD   LYS  30          HD1       LYS  30  17.198  14.392   8.931
  225   1HE   LYS  30          HE2       LYS  30  14.818  12.972   7.741
  226   2HE   LYS  30          HE1       LYS  30  15.803  12.407   9.088
  227   1HZ   LYS  30          HZ1       LYS  30  13.755  13.437   9.852
  228   2HZ   LYS  30          HZ2       LYS  30  14.163  14.883   9.074
  229   3HZ   LYS  30          HZ3       LYS  30  15.099  14.327  10.370
  230    H    GLY  31           HN       GLY  31  16.640  13.449   2.825
  231   1HA   GLY  31          HA2       GLY  31  14.371  14.681   1.393
  232   2HA   GLY  31          HA1       GLY  31  15.843  14.045   0.655
  233    H    SER  32           HN       SER  32  16.117  11.683   0.689
  234    HA   SER  32           HA       SER  32  13.618  10.283   1.181
  235   1HB   SER  32          HB2       SER  32  13.670   9.182  -1.012
  236   2HB   SER  32          HB1       SER  32  13.417  10.919  -1.119
  237    HG   SER  32           HG       SER  32  15.962   9.700  -1.380
  238    H    LEU  33           HN       LEU  33  13.833   7.971   0.555
  239    HA   LEU  33           HA       LEU  33  16.194   6.867   1.867
  240   1HB   LEU  33          HB2       LEU  33  14.197   6.076   2.793
  241   2HB   LEU  33          HB1       LEU  33  13.450   5.902   1.230
  242    HG   LEU  33           HG       LEU  33  15.758   4.167   1.808
  243   1HD1  LEU  33          HD11      LEU  33  13.327   4.266   3.431
  244   2HD1  LEU  33          HD12      LEU  33  14.889   3.576   3.789
  245   3HD1  LEU  33          HD13      LEU  33  13.735   2.680   2.810
  246   1HD2  LEU  33          HD21      LEU  33  14.897   2.994   0.115
  247   2HD2  LEU  33          HD22      LEU  33  13.828   4.368  -0.148
  248   3HD2  LEU  33          HD23      LEU  33  13.289   3.007   0.830
  249    H    ASN  34           HN       ASN  34  17.253   4.909   0.821
  250    HA   ASN  34           HA       ASN  34  16.793   5.097  -2.067
  251   1HB   ASN  34          HB2       ASN  34  18.738   6.425  -1.203
  252   2HB   ASN  34          HB1       ASN  34  19.525   4.899  -0.815
  253   1HD2  ASN  34          HD21      ASN  34  18.443   6.986  -3.381
  254   2HD2  ASN  34          HD22      ASN  34  19.312   6.207  -4.655
  255    H    ILE  35           HN       ILE  35  19.452   3.109  -1.463
  256    HA   ILE  35           HA       ILE  35  17.812   0.827  -0.955
  257    HB   ILE  35           HB       ILE  35  19.199  -0.366  -2.835
  258   1HG1  ILE  35          HG12      ILE  35  19.462   1.078  -4.798
  259   2HG1  ILE  35          HG11      ILE  35  18.920   2.458  -3.859
  260   1HG2  ILE  35          HG21      ILE  35  17.180  -0.663  -3.720
  261   2HG2  ILE  35          HG22      ILE  35  17.024   1.045  -4.120
  262   3HG2  ILE  35          HG23      ILE  35  16.586   0.474  -2.511
  263   1HD1  ILE  35          HD11      ILE  35  21.286   2.527  -4.047
  264   2HD1  ILE  35          HD12      ILE  35  21.425   0.878  -3.437
  265   3HD1  ILE  35          HD13      ILE  35  20.852   2.165  -2.379
  266    H    ASN  36           HN       ASN  36  19.727   2.081   0.670
  267    HA   ASN  36           HA       ASN  36  22.069   0.394   0.614
  268   1HB   ASN  36          HB2       ASN  36  21.121   2.500   2.562
  269   2HB   ASN  36          HB1       ASN  36  22.608   1.585   2.783
  270   1HD2  ASN  36          HD21      ASN  36  24.336   1.939   1.373
  271   2HD2  ASN  36          HD22      ASN  36  24.438   3.360   0.396
  272    H    GLU  37           HN       GLU  37  19.538   1.017   3.058
  273    HA   GLU  37           HA       GLU  37  20.017  -1.591   4.179
  274   1HB   GLU  37          HB2       GLU  37  17.551  -0.061   4.801
  275   2HB   GLU  37          HB1       GLU  37  18.499  -1.096   5.844
  276   1HG   GLU  37          HG2       GLU  37  20.325   0.715   5.454
  277   2HG   GLU  37          HG1       GLU  37  18.932   1.733   5.097
  278    H    PHE  38           HN       PHE  38  17.966  -0.250   1.696
  279    HA   PHE  38           HA       PHE  38  15.925  -2.078   1.578
  280   1HB   PHE  38          HB2       PHE  38  16.380  -0.108   0.025
  281   2HB   PHE  38          HB1       PHE  38  17.466  -1.168  -0.860
  282    HD1  PHE  38           HD1      PHE  38  16.234  -3.560  -1.338
  283    HD2  PHE  38           HD2      PHE  38  14.353   0.222  -0.905
  284    HE1  PHE  38           HE1      PHE  38  14.315  -4.369  -2.622
  285    HE2  PHE  38           HE2      PHE  38  12.423  -0.577  -2.190
  286    HZ   PHE  38           HZ       PHE  38  12.395  -2.877  -3.052
  287    H    LYS  39           HN       LYS  39  19.319  -2.389   0.935
  288    HA   LYS  39           HA       LYS  39  19.317  -4.806  -0.439
  289   1HB   LYS  39          HB2       LYS  39  21.502  -3.881   1.397
  290   2HB   LYS  39          HB1       LYS  39  21.654  -4.898  -0.029
  291   1HG   LYS  39          HG2       LYS  39  20.396  -2.491  -0.762
  292   2HG   LYS  39          HG1       LYS  39  21.868  -2.105   0.135
  293   1HD   LYS  39          HD2       LYS  39  21.670  -3.922  -2.269
  294   2HD   LYS  39          HD1       LYS  39  22.313  -2.280  -2.268
  295   1HE   LYS  39          HE2       LYS  39  23.442  -4.611  -0.718
  296   2HE   LYS  39          HE1       LYS  39  24.094  -3.971  -2.224
  297   1HZ   LYS  39          HZ1       LYS  39  24.475  -1.853  -1.094
  298   2HZ   LYS  39          HZ2       LYS  39  25.314  -3.116  -0.344
  299   3HZ   LYS  39          HZ3       LYS  39  23.899  -2.510   0.354
  300    H    GLU  40           HN       GLU  40  18.620  -4.125   2.695
  301    HA   GLU  40           HA       GLU  40  19.179  -6.742   3.743
  302   1HB   GLU  40          HB2       GLU  40  18.499  -5.927   5.816
  303   2HB   GLU  40          HB1       GLU  40  19.104  -4.466   5.044
  304   1HG   GLU  40          HG2       GLU  40  17.165  -3.471   5.361
  305   2HG   GLU  40          HG1       GLU  40  16.325  -4.723   4.450
  306    H    LEU  41           HN       LEU  41  16.927  -5.487   1.646
  307    HA   LEU  41           HA       LEU  41  14.594  -6.853   2.576
  308   1HB   LEU  41          HB2       LEU  41  15.159  -5.454  -0.038
  309   2HB   LEU  41          HB1       LEU  41  13.605  -6.122   0.410
  310    HG   LEU  41           HG       LEU  41  15.012  -3.756   1.597
  311   1HD1  LEU  41          HD11      LEU  41  12.751  -4.226  -0.158
  312   2HD1  LEU  41          HD12      LEU  41  13.645  -2.742   0.163
  313   3HD1  LEU  41          HD13      LEU  41  12.330  -3.223   1.229
  314   1HD2  LEU  41          HD21      LEU  41  13.090  -5.608   2.871
  315   2HD2  LEU  41          HD22      LEU  41  12.777  -3.887   3.071
  316   3HD2  LEU  41          HD23      LEU  41  14.316  -4.569   3.597
  317    H    ALA  42           HN       ALA  42  15.395  -7.180  -0.837
  318    HA   ALA  42           HA       ALA  42  14.454  -9.603  -1.286
  319   1HB   ALA  42          HB1       ALA  42  16.185  -9.930  -2.990
  320   2HB   ALA  42          HB2       ALA  42  17.000  -8.508  -2.345
  321   3HB   ALA  42          HB3       ALA  42  15.391  -8.363  -3.031
  322    H    THR  43           HN       THR  43  17.488  -8.989   0.334
  323    HA   THR  43           HA       THR  43  18.517 -11.574   0.383
  324    HB   THR  43           HB       THR  43  19.538 -10.576   2.604
  325    HG1  THR  43           HG1      THR  43  18.882  -8.119   1.363
  326   1HG2  THR  43          HG21      THR  43  20.089  -9.510  -0.156
  327   2HG2  THR  43          HG22      THR  43  20.846 -10.905   0.610
  328   3HG2  THR  43          HG23      THR  43  21.162  -9.283   1.224
  329    H    GLN  44           HN       GLN  44  17.084  -9.889   3.177
  330    HA   GLN  44           HA       GLN  44  16.407 -12.279   4.533
  331   1HB   GLN  44          HB2       GLN  44  15.487  -9.444   5.085
  332   2HB   GLN  44          HB1       GLN  44  15.505 -10.788   6.231
  333   1HG   GLN  44          HG2       GLN  44  17.909  -9.481   4.978
  334   2HG   GLN  44          HG1       GLN  44  17.342  -9.252   6.632
  335   1HE2  GLN  44          HE21      GLN  44  17.641 -10.881   8.135
  336   2HE2  GLN  44          HE22      GLN  44  18.728 -12.198   7.869
  337    H    GLN  45           HN       GLN  45  14.865 -10.257   2.296
  338    HA   GLN  45           HA       GLN  45  12.169 -10.947   2.766
  339   1HB   GLN  45          HB2       GLN  45  13.707  -9.765   0.472
  340   2HB   GLN  45          HB1       GLN  45  11.988 -10.101   0.346
  341   1HG   GLN  45          HG2       GLN  45  12.881  -8.539   2.678
  342   2HG   GLN  45          HG1       GLN  45  12.956  -7.759   1.099
  343   1HE2  GLN  45          HE21      GLN  45  11.142  -7.403  -0.077
  344   2HE2  GLN  45          HE22      GLN  45   9.551  -7.489   0.603
  345    H    LEU  46           HN       LEU  46  14.759 -12.112   0.683
  346    HA   LEU  46           HA       LEU  46  13.639 -13.671  -1.160
  347   1HB   LEU  46          HB2       LEU  46  16.069 -13.929   0.462
  348   2HB   LEU  46          HB1       LEU  46  15.498 -15.458  -0.167
  349    HG   LEU  46           HG       LEU  46  16.580 -13.083  -1.651
  350   1HD1  LEU  46          HD11      LEU  46  17.872 -14.835  -2.770
  351   2HD1  LEU  46          HD12      LEU  46  17.053 -16.055  -1.795
  352   3HD1  LEU  46          HD13      LEU  46  18.096 -14.862  -1.021
  353   1HD2  LEU  46          HD21      LEU  46  14.701 -15.174  -2.738
  354   2HD2  LEU  46          HD22      LEU  46  15.815 -14.260  -3.753
  355   3HD2  LEU  46          HD23      LEU  46  14.557 -13.419  -2.846
  356    HA   PRO  47           HA       PRO  47  12.262 -17.074   1.717
  357   1HB   PRO  47          HB2       PRO  47  13.097 -17.252   4.243
  358   2HB   PRO  47          HB1       PRO  47  14.163 -17.715   2.912
  359   1HG   PRO  47          HG2       PRO  47  14.178 -15.271   4.612
  360   2HG   PRO  47          HG1       PRO  47  15.538 -16.145   3.891
  361   1HD   PRO  47          HD2       PRO  47  14.289 -13.808   2.871
  362   2HD   PRO  47          HD1       PRO  47  15.478 -14.838   2.044
  363    H    HIS  48           HN       HIS  48  10.339 -15.609   1.529
  364    HA   HIS  48           HA       HIS  48   9.419 -14.623   4.131
  365   1HB   HIS  48          HB2       HIS  48   8.998 -13.588   1.562
  366   2HB   HIS  48          HB1       HIS  48   7.418 -14.249   2.009
  367    HD1  HIS  48           HD1      HIS  48   6.324 -13.263   4.173
  368    HD2  HIS  48           HD2      HIS  48   9.770 -11.305   2.931
  369    HE1  HIS  48           HE1      HIS  48   6.376 -11.110   5.463
  370    HE2  HIS  48           HE2      HIS  48   8.520  -9.986   4.770
  371    H    LEU  49           HN       LEU  49   6.592 -15.097   3.500
  372    HA   LEU  49           HA       LEU  49   6.496 -17.896   4.180
  373   1HB   LEU  49          HB2       LEU  49   4.887 -16.435   5.243
  374   2HB   LEU  49          HB1       LEU  49   4.332 -15.836   3.692
  375    HG   LEU  49           HG       LEU  49   3.336 -17.984   3.167
  376   1HD1  LEU  49          HD11      LEU  49   4.934 -19.451   4.234
  377   2HD1  LEU  49          HD12      LEU  49   3.311 -19.792   4.837
  378   3HD1  LEU  49          HD13      LEU  49   4.445 -18.871   5.826
  379   1HD2  LEU  49          HD21      LEU  49   2.614 -17.048   5.942
  380   2HD2  LEU  49          HD22      LEU  49   1.604 -18.045   4.894
  381   3HD2  LEU  49          HD23      LEU  49   1.995 -16.389   4.427
  382    H    LEU  50           HN       LEU  50   4.294 -16.404   1.853
  383    HA   LEU  50           HA       LEU  50   4.881 -18.481  -0.090
  384   1HB   LEU  50          HB2       LEU  50   2.548 -17.709   0.459
  385   2HB   LEU  50          HB1       LEU  50   2.932 -16.194  -0.336
  386    HG   LEU  50           HG       LEU  50   3.225 -17.320  -2.460
  387   1HD1  LEU  50          HD11      LEU  50   4.174 -19.410  -1.667
  388   2HD1  LEU  50          HD12      LEU  50   2.770 -19.721  -2.689
  389   3HD1  LEU  50          HD13      LEU  50   2.632 -19.854  -0.936
  390   1HD2  LEU  50          HD21      LEU  50   0.932 -18.104  -2.814
  391   2HD2  LEU  50          HD22      LEU  50   0.973 -16.622  -1.860
  392   3HD2  LEU  50          HD23      LEU  50   0.688 -18.172  -1.069
  393    H    LYS  51           HN       LYS  51   6.862 -16.278   0.512
  394    HA   LYS  51           HA       LYS  51   7.114 -14.235  -1.189
  395   1HB   LYS  51          HB2       LYS  51   8.793 -15.217   0.512
  396   2HB   LYS  51          HB1       LYS  51   9.446 -16.085  -0.853
  397   1HG   LYS  51          HG2       LYS  51  10.671 -14.000  -0.362
  398   2HG   LYS  51          HG1       LYS  51   9.986 -14.037  -1.983
  399   1HD   LYS  51          HD2       LYS  51   8.773 -12.217  -1.599
  400   2HD   LYS  51          HD1       LYS  51   8.149 -12.865  -0.079
  401   1HE   LYS  51          HE2       LYS  51  10.006 -12.032   1.140
  402   2HE   LYS  51          HE1       LYS  51  10.912 -11.698  -0.334
  403   1HZ   LYS  51          HZ1       LYS  51   8.443 -10.316  -0.301
  404   2HZ   LYS  51          HZ2       LYS  51  10.003  -9.699  -0.466
  405   3HZ   LYS  51          HZ3       LYS  51   9.346  -9.944   1.074
  406    H    ASP  52           HN       ASP  52   8.331 -13.893  -3.083
  407    HA   ASP  52           HA       ASP  52   7.908 -15.977  -5.108
  408   1HB   ASP  52          HB2       ASP  52   8.084 -12.969  -5.289
  409   2HB   ASP  52          HB1       ASP  52   8.170 -14.004  -6.712
  410    H    VAL  53           HN       VAL  53  10.220 -15.532  -3.166
  411    HA   VAL  53           HA       VAL  53  12.485 -15.500  -3.125
  412    HB   VAL  53           HB       VAL  53  11.968 -16.925  -5.721
  413   1HG1  VAL  53          HG11      VAL  53  14.213 -17.980  -5.302
  414   2HG1  VAL  53          HG12      VAL  53  14.487 -16.742  -4.076
  415   3HG1  VAL  53          HG13      VAL  53  14.269 -16.279  -5.763
  416   1HG2  VAL  53          HG21      VAL  53  10.890 -17.973  -3.834
  417   2HG2  VAL  53          HG22      VAL  53  12.400 -17.946  -2.923
  418   3HG2  VAL  53          HG23      VAL  53  12.257 -18.956  -4.361
  419    H    GLY  54           HN       GLY  54  12.420 -13.115  -3.378
  420   1HA   GLY  54          HA2       GLY  54  12.614 -11.586  -5.585
  421   2HA   GLY  54          HA1       GLY  54  13.654 -11.312  -4.195
  422    H    SER  55           HN       SER  55  13.532 -12.087  -7.468
  423    HA   SER  55           HA       SER  55  15.651 -13.752  -7.972
  424   1HB   SER  55          HB2       SER  55  14.066 -12.728  -9.652
  425   2HB   SER  55          HB1       SER  55  15.056 -11.272  -9.590
  426    HG   SER  55           HG       SER  55  15.574 -12.823 -11.296
  427    H    LEU  56           HN       LEU  56  17.757 -13.693  -7.647
  428    HA   LEU  56           HA       LEU  56  19.111 -11.982  -6.079
  429   1HB   LEU  56          HB2       LEU  56  21.184 -12.671  -7.518
  430   2HB   LEU  56          HB1       LEU  56  20.328 -13.847  -6.542
  431    HG   LEU  56           HG       LEU  56  19.285 -13.651  -9.266
  432   1HD1  LEU  56          HD11      LEU  56  22.120 -14.590  -8.846
  433   2HD1  LEU  56          HD12      LEU  56  21.625 -13.168  -9.763
  434   3HD1  LEU  56          HD13      LEU  56  21.176 -14.779 -10.323
  435   1HD2  LEU  56          HD21      LEU  56  18.655 -15.412  -7.710
  436   2HD2  LEU  56          HD22      LEU  56  20.339 -15.922  -7.584
  437   3HD2  LEU  56          HD23      LEU  56  19.478 -16.089  -9.115
  438    H    ASP  57           HN       ASP  57  19.926 -11.840  -9.541
  439    HA   ASP  57           HA       ASP  57  21.182  -9.429  -9.581
  440   1HB   ASP  57          HB2       ASP  57  20.085  -9.218 -11.956
  441   2HB   ASP  57          HB1       ASP  57  21.311 -10.446 -11.633
  442    H    GLU  58           HN       GLU  58  17.714  -9.972  -9.831
  443    HA   GLU  58           HA       GLU  58  16.848  -7.432 -10.485
  444   1HB   GLU  58          HB2       GLU  58  15.414  -9.490 -10.240
  445   2HB   GLU  58          HB1       GLU  58  15.483  -9.260  -8.498
  446   1HG   GLU  58          HG2       GLU  58  14.417  -7.078  -8.748
  447   2HG   GLU  58          HG1       GLU  58  14.340  -7.323 -10.493
  448    H    LYS  59           HN       LYS  59  18.003  -8.756  -7.491
  449    HA   LYS  59           HA       LYS  59  17.236  -6.658  -5.817
  450   1HB   LYS  59          HB2       LYS  59  19.654  -8.420  -5.469
  451   2HB   LYS  59          HB1       LYS  59  18.790  -7.560  -4.208
  452   1HG   LYS  59          HG2       LYS  59  16.824  -8.967  -4.581
  453   2HG   LYS  59          HG1       LYS  59  17.698  -9.825  -5.850
  454   1HD   LYS  59          HD2       LYS  59  18.346  -9.765  -2.910
  455   2HD   LYS  59          HD1       LYS  59  17.824 -11.150  -3.868
  456   1HE   LYS  59          HE2       LYS  59  20.006 -10.507  -5.250
  457   2HE   LYS  59          HE1       LYS  59  20.481  -9.841  -3.691
  458   1HZ   LYS  59          HZ1       LYS  59  20.127 -11.983  -2.676
  459   2HZ   LYS  59          HZ2       LYS  59  21.200 -12.146  -3.973
  460   3HZ   LYS  59          HZ3       LYS  59  19.591 -12.638  -4.142
  461    H    MET  60           HN       MET  60  19.963  -7.167  -7.912
  462    HA   MET  60           HA       MET  60  21.359  -4.847  -6.986
  463   1HB   MET  60          HB2       MET  60  21.852  -6.635  -9.368
  464   2HB   MET  60          HB1       MET  60  22.925  -5.342  -8.852
  465   1HG   MET  60          HG2       MET  60  22.206  -7.776  -7.237
  466   2HG   MET  60          HG1       MET  60  23.709  -7.533  -8.125
  467   1HE   MET  60          HE1       MET  60  24.866  -7.259  -4.394
  468   2HE   MET  60          HE2       MET  60  25.140  -8.047  -5.948
  469   3HE   MET  60          HE3       MET  60  23.642  -8.338  -5.064
  470    H    LYS  61           HN       LYS  61  19.141  -5.690  -9.485
  471    HA   LYS  61           HA       LYS  61  19.537  -3.302 -11.051
  472   1HB   LYS  61          HB2       LYS  61  18.891  -5.274 -12.248
  473   2HB   LYS  61          HB1       LYS  61  17.514  -5.535 -11.183
  474   1HG   LYS  61          HG2       LYS  61  16.483  -3.482 -12.041
  475   2HG   LYS  61          HG1       LYS  61  17.848  -3.267 -13.138
  476   1HD   LYS  61          HD2       LYS  61  15.983  -5.640 -13.110
  477   2HD   LYS  61          HD1       LYS  61  15.912  -4.298 -14.254
  478   1HE   LYS  61          HE2       LYS  61  18.152  -4.850 -15.050
  479   2HE   LYS  61          HE1       LYS  61  18.245  -6.175 -13.891
  480   1HZ   LYS  61          HZ1       LYS  61  16.392  -7.242 -15.008
  481   2HZ   LYS  61          HZ2       LYS  61  17.651  -6.958 -16.100
  482   3HZ   LYS  61          HZ3       LYS  61  16.283  -5.964 -16.112
  483    H    THR  62           HN       THR  62  16.674  -4.634  -9.394
  484    HA   THR  62           HA       THR  62  15.124  -2.369  -9.408
  485    HB   THR  62           HB       THR  62  15.305  -4.402  -7.171
  486    HG1  THR  62           HG1      THR  62  14.663  -4.894  -9.563
  487   1HG2  THR  62          HG21      THR  62  13.038  -2.534  -7.870
  488   2HG2  THR  62          HG22      THR  62  14.153  -2.302  -6.523
  489   3HG2  THR  62          HG23      THR  62  13.077  -3.700  -6.547
  490    H    LEU  63           HN       LEU  63  17.927  -3.084  -7.519
  491    HA   LEU  63           HA       LEU  63  17.836  -1.425  -5.375
  492   1HB   LEU  63          HB2       LEU  63  19.713  -2.898  -5.992
  493   2HB   LEU  63          HB1       LEU  63  20.160  -1.791  -7.271
  494    HG   LEU  63           HG       LEU  63  20.048  -0.747  -4.494
  495   1HD1  LEU  63          HD11      LEU  63  22.361  -1.495  -4.104
  496   2HD1  LEU  63          HD12      LEU  63  22.265  -2.480  -5.565
  497   3HD1  LEU  63          HD13      LEU  63  21.220  -2.837  -4.190
  498   1HD2  LEU  63          HD21      LEU  63  21.900  -0.280  -6.827
  499   2HD2  LEU  63          HD22      LEU  63  21.913   0.605  -5.302
  500   3HD2  LEU  63          HD23      LEU  63  20.529   0.736  -6.385
  501    H    ASP  64           HN       ASP  64  19.014  -0.465  -8.600
  502    HA   ASP  64           HA       ASP  64  19.159   2.294  -7.987
  503   1HB   ASP  64          HB2       ASP  64  20.474   1.376  -9.798
  504   2HB   ASP  64          HB1       ASP  64  19.022   0.836 -10.634
  505    H    VAL  65           HN       VAL  65  16.577   0.217  -8.979
  506    HA   VAL  65           HA       VAL  65  14.874   2.328  -9.949
  507    HB   VAL  65           HB       VAL  65  14.216  -0.558  -9.322
  508   1HG1  VAL  65          HG11      VAL  65  12.655   1.532 -10.846
  509   2HG1  VAL  65          HG12      VAL  65  12.223   0.840  -9.282
  510   3HG1  VAL  65          HG13      VAL  65  12.231  -0.176 -10.724
  511   1HG2  VAL  65          HG21      VAL  65  14.368  -0.889 -11.738
  512   2HG2  VAL  65          HG22      VAL  65  15.901  -0.318 -11.077
  513   3HG2  VAL  65          HG23      VAL  65  14.846   0.796 -11.947
  514    H    ASN  66           HN       ASN  66  14.290  -0.036  -7.335
  515    HA   ASN  66           HA       ASN  66  12.378   1.710  -6.078
  516   1HB   ASN  66          HB2       ASN  66  13.519  -0.941  -5.209
  517   2HB   ASN  66          HB1       ASN  66  12.190  -0.111  -4.389
  518   1HD2  ASN  66          HD21      ASN  66  10.823  -1.872  -4.794
  519   2HD2  ASN  66          HD22      ASN  66  10.162  -2.176  -6.360
  520    H    GLN  67           HN       GLN  67  14.830   3.072  -6.022
  521    HA   GLN  67           HA       GLN  67  16.005   2.591  -3.444
  522   1HB   GLN  67          HB2       GLN  67  17.118   4.896  -3.944
  523   2HB   GLN  67          HB1       GLN  67  17.638   3.453  -4.777
  524   1HG   GLN  67          HG2       GLN  67  17.565   5.225  -6.317
  525   2HG   GLN  67          HG1       GLN  67  16.287   4.089  -6.671
  526   1HE2  GLN  67          HE21      GLN  67  14.435   4.883  -7.172
  527   2HE2  GLN  67          HE22      GLN  67  13.843   6.427  -6.701
  528    H    ASP  68           HN       ASP  68  13.820   4.864  -4.860
  529    HA   ASP  68           HA       ASP  68  13.614   6.385  -2.425
  530   1HB   ASP  68          HB2       ASP  68  12.680   6.713  -5.218
  531   2HB   ASP  68          HB1       ASP  68  11.749   7.498  -3.948
  532    H    SER  69           HN       SER  69  12.611   3.468  -2.898
  533    HA   SER  69           HA       SER  69   9.897   3.194  -2.965
  534   1HB   SER  69          HB2       SER  69  10.197   1.256  -1.393
  535   2HB   SER  69          HB1       SER  69  11.352   1.247  -2.732
  536    HG   SER  69           HG       SER  69  12.855   2.239  -1.259
  537    H    GLU  70           HN       GLU  70  11.927   4.431  -0.499
  538    HA   GLU  70           HA       GLU  70   9.606   5.367   1.046
  539   1HB   GLU  70          HB2       GLU  70  10.814   4.353   2.717
  540   2HB   GLU  70          HB1       GLU  70  12.309   4.519   1.824
  541   1HG   GLU  70          HG2       GLU  70  12.479   5.886   3.792
  542   2HG   GLU  70          HG1       GLU  70  12.358   6.956   2.409
  543    H    LEU  71           HN       LEU  71   9.620   7.579   1.602
  544    HA   LEU  71           HA       LEU  71  11.774   9.140   0.492
  545   1HB   LEU  71          HB2       LEU  71  10.444   8.964  -1.302
  546   2HB   LEU  71          HB1       LEU  71   8.968   8.932  -0.368
  547    HG   LEU  71           HG       LEU  71   9.227  10.841  -1.685
  548   1HD1  LEU  71          HD11      LEU  71   7.938  11.939  -0.344
  549   2HD1  LEU  71          HD12      LEU  71   9.310  12.346   0.659
  550   3HD1  LEU  71          HD13      LEU  71   8.446  10.848   0.939
  551   1HD2  LEU  71          HD21      LEU  71  11.716  11.208  -0.235
  552   2HD2  LEU  71          HD22      LEU  71  10.917  12.550  -1.011
  553   3HD2  LEU  71          HD23      LEU  71  11.445  11.182  -1.951
  554    H    ARG  72           HN       ARG  72  11.991  11.245   1.357
  555    HA   ARG  72           HA       ARG  72  10.255  11.913   3.618
  556   1HB   ARG  72          HB2       ARG  72  12.888  13.248   3.339
  557   2HB   ARG  72          HB1       ARG  72  12.054  12.716   4.789
  558   1HG   ARG  72          HG2       ARG  72  13.728  11.106   2.903
  559   2HG   ARG  72          HG1       ARG  72  13.999  11.401   4.618
  560   1HD   ARG  72          HD2       ARG  72  12.272   9.439   3.253
  561   2HD   ARG  72          HD1       ARG  72  13.158   9.309   4.769
  562    HE   ARG  72           HE       ARG  72  10.430  10.168   4.429
  563   1HH1  ARG  72          HH11      ARG  72  13.237  10.244   6.488
  564   2HH1  ARG  72          HH12      ARG  72  12.330  10.551   7.931
  565   1HH2  ARG  72          HH21      ARG  72   9.225  10.570   6.323
  566   2HH2  ARG  72          HH22      ARG  72  10.049  10.735   7.838
  567    H    PHE  73           HN       PHE  73  11.707  12.973   0.630
  568    HA   PHE  73           HA       PHE  73  10.343  15.509   0.788
  569   1HB   PHE  73          HB2       PHE  73  11.759  16.349  -0.895
  570   2HB   PHE  73          HB1       PHE  73  12.748  15.398   0.170
  571    HD1  PHE  73           HD1      PHE  73  13.040  12.826  -0.750
  572    HD2  PHE  73           HD2      PHE  73  12.257  16.295  -3.078
  573    HE1  PHE  73           HE1      PHE  73  13.995  11.718  -2.692
  574    HE2  PHE  73           HE2      PHE  73  13.226  15.187  -5.043
  575    HZ   PHE  73           HZ       PHE  73  14.108  12.897  -4.857
  576    H    SER  74           HN       SER  74  10.596  14.137  -2.526
  577    HA   SER  74           HA       SER  74   7.666  14.068  -2.447
  578   1HB   SER  74          HB2       SER  74   7.911  14.655  -4.984
  579   2HB   SER  74          HB1       SER  74   7.941  15.927  -3.760
  580    HG   SER  74           HG       SER  74  10.138  16.050  -3.947
  581    H    GLU  75           HN       GLU  75  10.250  12.195  -3.021
  582    HA   GLU  75           HA       GLU  75   9.268  10.620  -5.164
  583   1HB   GLU  75          HB2       GLU  75  11.177   9.701  -3.034
  584   2HB   GLU  75          HB1       GLU  75  11.040   9.096  -4.680
  585   1HG   GLU  75          HG2       GLU  75  11.787  11.914  -4.095
  586   2HG   GLU  75          HG1       GLU  75  12.985  10.620  -4.104
  587    H    TYR  76           HN       TYR  76   7.534  10.905  -2.553
  588    HA   TYR  76           HA       TYR  76   7.365   8.415  -1.355
  589   1HB   TYR  76          HB2       TYR  76   5.758  10.867  -1.372
  590   2HB   TYR  76          HB1       TYR  76   4.829   9.405  -1.059
  591    HD1  TYR  76           HD1      TYR  76   7.258   8.024   0.364
  592    HD2  TYR  76           HD2      TYR  76   5.353  11.783   0.798
  593    HE1  TYR  76           HE1      TYR  76   8.033   8.118   2.612
  594    HE2  TYR  76           HE2      TYR  76   6.130  11.897   3.117
  595    HH   TYR  76           HH       TYR  76   8.470   9.803   4.381
  596    H    TRP  77           HN       TRP  77   6.215   9.530  -4.349
  597    HA   TRP  77           HA       TRP  77   4.147   7.662  -4.782
  598   1HB   TRP  77          HB2       TRP  77   4.571   7.964  -7.180
  599   2HB   TRP  77          HB1       TRP  77   4.607   9.519  -6.360
  600    HD1  TRP  77           HD1      TRP  77   7.157   6.818  -7.438
  601    HE1  TRP  77           HE1      TRP  77   9.306   7.999  -8.168
  602    HE3  TRP  77           HE3      TRP  77   5.776  11.629  -6.497
  603    HZ2  TRP  77           HZ2      TRP  77  10.298  10.655  -8.341
  604    HZ3  TRP  77           HZ3      TRP  77   7.369  13.437  -6.960
  605    HH2  TRP  77           HH2      TRP  77   9.587  12.961  -7.869
  606    H    ARG  78           HN       ARG  78   7.469   7.150  -4.225
  607    HA   ARG  78           HA       ARG  78   7.732   4.848  -5.923
  608   1HB   ARG  78          HB2       ARG  78   9.488   6.202  -3.907
  609   2HB   ARG  78          HB1       ARG  78   9.923   4.612  -4.529
  610   1HG   ARG  78          HG2       ARG  78   9.294   6.929  -6.313
  611   2HG   ARG  78          HG1       ARG  78  10.903   6.636  -5.699
  612   1HD   ARG  78          HD2       ARG  78  10.918   4.433  -6.721
  613   2HD   ARG  78          HD1       ARG  78   9.276   4.691  -7.313
  614    HE   ARG  78           HE       ARG  78  10.845   6.775  -8.275
  615   1HH1  ARG  78          HH11      ARG  78  10.624   3.314  -8.602
  616   2HH1  ARG  78          HH12      ARG  78  11.258   3.295 -10.214
  617   1HH2  ARG  78          HH21      ARG  78  11.683   6.761 -10.399
  618   2HH2  ARG  78          HH22      ARG  78  11.860   5.255 -11.235
  619    H    LEU  79           HN       LEU  79   6.844   5.583  -2.639
  620    HA   LEU  79           HA       LEU  79   6.972   2.954  -1.612
  621   1HB   LEU  79          HB2       LEU  79   4.689   4.562  -0.687
  622   2HB   LEU  79          HB1       LEU  79   5.897   3.713   0.235
  623    HG   LEU  79           HG       LEU  79   6.979   6.149  -0.977
  624   1HD1  LEU  79          HD11      LEU  79   5.372   7.088   1.170
  625   2HD1  LEU  79          HD12      LEU  79   4.299   6.254   0.055
  626   3HD1  LEU  79          HD13      LEU  79   5.305   7.572  -0.516
  627   1HD2  LEU  79          HD21      LEU  79   7.799   4.644   0.971
  628   2HD2  LEU  79          HD22      LEU  79   6.638   5.546   1.938
  629   3HD2  LEU  79          HD23      LEU  79   7.950   6.389   1.116
  630    H    ILE  80           HN       ILE  80   4.799   4.678  -3.668
  631    HA   ILE  80           HA       ILE  80   2.434   3.531  -3.421
  632    HB   ILE  80           HB       ILE  80   3.353   5.252  -5.175
  633   1HG1  ILE  80          HG12      ILE  80   1.254   5.001  -6.478
  634   2HG1  ILE  80          HG11      ILE  80   0.992   3.434  -5.720
  635   1HG2  ILE  80          HG21      ILE  80   3.187   2.763  -6.850
  636   2HG2  ILE  80          HG22      ILE  80   4.653   3.661  -6.464
  637   3HG2  ILE  80          HG23      ILE  80   3.394   4.412  -7.438
  638   1HD1  ILE  80          HD11      ILE  80  -0.276   5.409  -4.776
  639   2HD1  ILE  80          HD12      ILE  80   1.268   5.949  -4.115
  640   3HD1  ILE  80          HD13      ILE  80   0.592   4.395  -3.628
  641    H    GLY  81           HN       GLY  81   4.938   2.057  -5.492
  642   1HA   GLY  81          HA2       GLY  81   3.304  -0.304  -5.827
  643   2HA   GLY  81          HA1       GLY  81   4.926  -0.057  -6.458
  644    H    GLU  82           HN       GLU  82   5.090   0.779  -3.280
  645    HA   GLU  82           HA       GLU  82   6.438  -1.715  -2.637
  646   1HB   GLU  82          HB2       GLU  82   6.011   0.698  -0.901
  647   2HB   GLU  82          HB1       GLU  82   7.162  -0.606  -0.632
  648   1HG   GLU  82          HG2       GLU  82   7.238   1.331  -2.916
  649   2HG   GLU  82          HG1       GLU  82   8.271   1.400  -1.487
  650    H    LEU  83           HN       LEU  83   3.926   0.256  -1.048
  651    HA   LEU  83           HA       LEU  83   3.213  -1.562   0.908
  652   1HB   LEU  83          HB2       LEU  83   1.544   0.466  -0.563
  653   2HB   LEU  83          HB1       LEU  83   0.914  -0.497   0.762
  654    HG   LEU  83           HG       LEU  83   2.707   0.469   2.225
  655   1HD1  LEU  83          HD11      LEU  83   3.158   2.209  -0.192
  656   2HD1  LEU  83          HD12      LEU  83   4.327   1.163   0.615
  657   3HD1  LEU  83          HD13      LEU  83   3.723   2.603   1.431
  658   1HD2  LEU  83          HD21      LEU  83   1.577   2.600   2.533
  659   2HD2  LEU  83          HD22      LEU  83   0.412   1.308   2.249
  660   3HD2  LEU  83          HD23      LEU  83   0.812   2.438   0.954
  661    H    ALA  84           HN       ALA  84   2.572  -1.600  -2.469
  662    HA   ALA  84           HA       ALA  84   0.506  -3.561  -2.324
  663   1HB   ALA  84          HB1       ALA  84   0.353  -2.429  -4.309
  664   2HB   ALA  84          HB2       ALA  84   1.316  -3.807  -4.846
  665   3HB   ALA  84          HB3       ALA  84   2.102  -2.275  -4.476
  666    H    LYS  85           HN       LYS  85   4.005  -3.613  -2.505
  667    HA   LYS  85           HA       LYS  85   4.506  -6.212  -3.304
  668   1HB   LYS  85          HB2       LYS  85   5.998  -4.177  -2.120
  669   2HB   LYS  85          HB1       LYS  85   6.111  -5.515  -0.985
  670   1HG   LYS  85          HG2       LYS  85   7.929  -5.855  -2.364
  671   2HG   LYS  85          HG1       LYS  85   6.709  -6.916  -3.073
  672   1HD   LYS  85          HD2       LYS  85   7.553  -5.839  -4.936
  673   2HD   LYS  85          HD1       LYS  85   6.145  -4.851  -4.545
  674   1HE   LYS  85          HE2       LYS  85   7.996  -3.570  -3.079
  675   2HE   LYS  85          HE1       LYS  85   9.031  -4.227  -4.344
  676   1HZ   LYS  85          HZ1       LYS  85   8.194  -2.012  -4.884
  677   2HZ   LYS  85          HZ2       LYS  85   6.606  -2.588  -4.826
  678   3HZ   LYS  85          HZ3       LYS  85   7.673  -3.168  -6.004
  679    H    GLU  86           HN       GLU  86   3.028  -5.024  -0.438
  680    HA   GLU  86           HA       GLU  86   3.231  -7.461   1.027
  681   1HB   GLU  86          HB2       GLU  86   1.169  -5.353   1.582
  682   2HB   GLU  86          HB1       GLU  86   1.997  -6.393   2.706
  683   1HG   GLU  86          HG2       GLU  86   3.891  -5.020   2.671
  684   2HG   GLU  86          HG1       GLU  86   3.355  -4.199   1.198
  685    H    VAL  87           HN       VAL  87   0.618  -5.687  -0.552
  686    HA   VAL  87           HA       VAL  87  -1.273  -7.792  -0.267
  687    HB   VAL  87           HB       VAL  87  -1.327  -5.289  -1.983
  688   1HG1  VAL  87          HG11      VAL  87  -2.858  -6.796  -2.976
  689   2HG1  VAL  87          HG12      VAL  87  -3.801  -5.668  -2.013
  690   3HG1  VAL  87          HG13      VAL  87  -3.491  -7.294  -1.409
  691   1HG2  VAL  87          HG21      VAL  87  -2.827  -4.442  -0.216
  692   2HG2  VAL  87          HG22      VAL  87  -1.191  -4.763   0.344
  693   3HG2  VAL  87          HG23      VAL  87  -2.489  -5.894   0.726
  694    H    ARG  88           HN       ARG  88   1.340  -7.530  -2.314
  695    HA   ARG  88           HA       ARG  88   0.245  -8.357  -4.767
  696   1HB   ARG  88          HB2       ARG  88   2.626  -7.482  -4.145
  697   2HB   ARG  88          HB1       ARG  88   2.989  -9.191  -3.916
  698   1HG   ARG  88          HG2       ARG  88   1.948  -7.932  -6.442
  699   2HG   ARG  88          HG1       ARG  88   3.612  -8.441  -6.145
  700   1HD   ARG  88          HD2       ARG  88   2.818 -10.757  -5.848
  701   2HD   ARG  88          HD1       ARG  88   1.179 -10.225  -6.222
  702    HE   ARG  88           HE       ARG  88   2.904  -9.462  -8.307
  703   1HH1  ARG  88          HH11      ARG  88   1.465 -12.310  -6.910
  704   2HH1  ARG  88          HH12      ARG  88   1.480 -13.203  -8.395
  705   1HH2  ARG  88          HH21      ARG  88   2.930 -10.628 -10.265
  706   2HH2  ARG  88          HH22      ARG  88   2.314 -12.246 -10.302
  707    H    LYS  89           HN       LYS  89   2.237 -10.482  -2.683
  708    HA   LYS  89           HA       LYS  89   1.158 -12.849  -3.810
  709   1HB   LYS  89          HB2       LYS  89   2.264 -14.039  -2.031
  710   2HB   LYS  89          HB1       LYS  89   3.323 -12.743  -2.550
  711   1HG   LYS  89          HG2       LYS  89   2.879 -11.472  -0.601
  712   2HG   LYS  89          HG1       LYS  89   1.499 -12.451  -0.187
  713   1HD   LYS  89          HD2       LYS  89   3.632 -14.227  -0.312
  714   2HD   LYS  89          HD1       LYS  89   4.207 -12.800   0.564
  715   1HE   LYS  89          HE2       LYS  89   3.240 -14.072   2.261
  716   2HE   LYS  89          HE1       LYS  89   1.942 -12.944   1.811
  717   1HZ   LYS  89          HZ1       LYS  89   1.351 -14.929   0.201
  718   2HZ   LYS  89          HZ2       LYS  89   0.803 -14.892   1.800
  719   3HZ   LYS  89          HZ3       LYS  89   2.141 -15.839   1.391
  720    H    GLU  90           HN       GLU  90   0.405 -10.860  -1.087
  721    HA   GLU  90           HA       GLU  90  -1.294 -12.448   0.344
  722   1HB   GLU  90          HB2       GLU  90  -0.906  -9.521   0.008
  723   2HB   GLU  90          HB1       GLU  90  -2.334 -10.073   0.898
  724   1HG   GLU  90          HG2       GLU  90   0.536 -10.751   1.482
  725   2HG   GLU  90          HG1       GLU  90  -0.453  -9.593   2.369
  726    H    LYS  91           HN       LYS  91  -1.829 -11.107  -2.781
  727    HA   LYS  91           HA       LYS  91  -4.631 -11.000  -2.760
  728   1HB   LYS  91          HB2       LYS  91  -4.560 -10.892  -5.101
  729   2HB   LYS  91          HB1       LYS  91  -3.102 -10.080  -4.549
  730   1HG   LYS  91          HG2       LYS  91  -1.847 -12.184  -4.995
  731   2HG   LYS  91          HG1       LYS  91  -3.323 -12.856  -5.690
  732   1HD   LYS  91          HD2       LYS  91  -3.373 -11.051  -7.341
  733   2HD   LYS  91          HD1       LYS  91  -1.900 -10.372  -6.645
  734   1HE   LYS  91          HE2       LYS  91  -0.695 -12.431  -7.206
  735   2HE   LYS  91          HE1       LYS  91  -2.166 -13.096  -7.913
  736   1HZ   LYS  91          HZ1       LYS  91  -2.152 -11.320  -9.543
  737   2HZ   LYS  91          HZ2       LYS  91  -0.693 -12.174  -9.598
  738   3HZ   LYS  91          HZ3       LYS  91  -0.756 -10.657  -8.854
  739    H    ALA  92           HN       ALA  92  -2.427 -13.566  -3.715
  740    HA   ALA  92           HA       ALA  92  -4.573 -15.444  -4.154
  741   1HB   ALA  92          HB1       ALA  92  -2.829 -17.025  -4.733
  742   2HB   ALA  92          HB2       ALA  92  -1.599 -15.920  -4.122
  743   3HB   ALA  92          HB3       ALA  92  -2.551 -15.482  -5.540
  744    H    LEU  93           HN       LEU  93  -2.327 -14.762  -1.533
  745    HA   LEU  93           HA       LEU  93  -2.976 -17.247  -0.203
  746   1HB   LEU  93          HB2       LEU  93  -0.768 -16.190   0.102
  747   2HB   LEU  93          HB1       LEU  93  -1.548 -14.854   0.935
  748    HG   LEU  93           HG       LEU  93  -2.388 -17.319   2.141
  749   1HD1  LEU  93          HD11      LEU  93  -0.300 -18.237   1.242
  750   2HD1  LEU  93          HD12      LEU  93  -0.245 -18.103   3.000
  751   3HD1  LEU  93          HD13      LEU  93   0.607 -16.927   1.999
  752   1HD2  LEU  93          HD21      LEU  93  -0.682 -15.023   3.125
  753   2HD2  LEU  93          HD22      LEU  93  -1.425 -16.256   4.143
  754   3HD2  LEU  93          HD23      LEU  93  -2.438 -15.143   3.225
  755    H    GLY  94           HN       GLY  94  -4.375 -14.104  -0.331
  756   1HA   GLY  94          HA2       GLY  94  -5.579 -13.762   2.120
  757   2HA   GLY  94          HA1       GLY  94  -6.395 -13.411   0.600
  758    H    ILE  95           HN       ILE  95  -6.440 -16.001  -0.419
  759    HA   ILE  95           HA       ILE  95  -8.794 -16.926   0.865
  760    HB   ILE  95           HB       ILE  95  -8.483 -18.929  -0.705
  761   1HG1  ILE  95          HG12      ILE  95  -6.535 -17.061  -2.036
  762   2HG1  ILE  95          HG11      ILE  95  -6.016 -18.431  -1.055
  763   1HG2  ILE  95          HG21      ILE  95  -9.912 -16.848  -0.959
  764   2HG2  ILE  95          HG22      ILE  95  -9.575 -17.799  -2.404
  765   3HG2  ILE  95          HG23      ILE  95  -8.685 -16.309  -2.097
  766   1HD1  ILE  95          HD11      ILE  95  -7.712 -18.588  -3.537
  767   2HD1  ILE  95          HD12      ILE  95  -7.150 -19.953  -2.572
  768   3HD1  ILE  95          HD13      ILE  95  -5.988 -18.947  -3.437
  769    H    ARG  96           HN       ARG  96  -7.575 -16.997   2.943
  770    HA   ARG  96           HA       ARG  96  -5.959 -19.356   3.392
  771   1HB   ARG  96          HB2       ARG  96  -6.960 -17.099   5.101
  772   2HB   ARG  96          HB1       ARG  96  -6.325 -18.551   5.864
  773   1HG   ARG  96          HG2       ARG  96  -4.764 -17.013   3.819
  774   2HG   ARG  96          HG1       ARG  96  -4.746 -16.580   5.528
  775   1HD   ARG  96          HD2       ARG  96  -4.078 -19.331   4.500
  776   2HD   ARG  96          HD1       ARG  96  -2.871 -18.074   4.763
  777    HE   ARG  96           HE       ARG  96  -4.409 -18.418   7.100
  778   1HH1  ARG  96          HH11      ARG  96  -1.966 -20.016   5.201
  779   2HH1  ARG  96          HH12      ARG  96  -1.284 -20.860   6.551
  780   1HH2  ARG  96          HH21      ARG  96  -3.517 -19.524   8.886
  781   2HH2  ARG  96          HH22      ARG  96  -2.167 -20.582   8.646
  782    H    LYS  97           HN       LYS  97  -9.182 -18.152   3.879
  783    HA   LYS  97           HA       LYS  97 -10.202 -20.413   5.275
  784   1HB   LYS  97          HB2       LYS  97 -12.423 -19.440   4.558
  785   2HB   LYS  97          HB1       LYS  97 -11.384 -18.306   5.417
  786   1HG   LYS  97          HG2       LYS  97 -11.667 -16.883   3.712
  787   2HG   LYS  97          HG1       LYS  97 -10.713 -17.995   2.735
  788   1HD   LYS  97          HD2       LYS  97 -13.084 -19.224   2.577
  789   2HD   LYS  97          HD1       LYS  97 -13.628 -17.554   2.782
  790   1HE   LYS  97          HE2       LYS  97 -11.751 -17.109   0.989
  791   2HE   LYS  97          HE1       LYS  97 -12.069 -18.793   0.577
  792   1HZ   LYS  97          HZ1       LYS  97 -14.395 -18.256   0.249
  793   2HZ   LYS  97          HZ2       LYS  97 -13.429 -17.277  -0.737
  794   3HZ   LYS  97          HZ3       LYS  97 -14.117 -16.641   0.671
  795    H    LYS  98           HN       LYS  98  -9.278 -22.101   3.979
  796    HA   LYS  98           HA       LYS  98 -10.532 -22.460   1.343
  797   1HB   LYS  98          HB2       LYS  98  -8.004 -23.690   2.459
  798   2HB   LYS  98          HB1       LYS  98  -8.663 -24.003   0.861
  799   1HG   LYS  98          HG2       LYS  98  -7.823 -21.250   1.782
  800   2HG   LYS  98          HG1       LYS  98  -6.750 -22.380   0.954
  801   1HD   LYS  98          HD2       LYS  98  -9.378 -21.385  -0.139
  802   2HD   LYS  98          HD1       LYS  98  -7.793 -20.739  -0.569
  803   1HE   LYS  98          HE2       LYS  98  -8.850 -23.512  -1.082
  804   2HE   LYS  98          HE1       LYS  98  -8.448 -22.273  -2.270
  805   1HZ   LYS  98          HZ1       LYS  98  -6.126 -22.441  -1.587
  806   2HZ   LYS  98          HZ2       LYS  98  -6.711 -23.926  -2.147
  807   3HZ   LYS  98          HZ3       LYS  98  -6.524 -23.664  -0.488
  808   1H    MET   1          HT1       MET   1  18.704  -3.290  -3.367
  809   2H    MET   1          HT2       MET   1  19.631  -4.140  -2.240
  810   3H    MET   1          HT3       MET   1  18.128  -3.515  -1.792
  811    HA   MET   1           HA       MET   1  18.667  -5.731  -3.671
  812   1HB   MET   1          HB2       MET   1  17.605  -5.489  -0.921
  813   2HB   MET   1          HB1       MET   1  16.841  -6.670  -1.949
  814   1HG   MET   1          HG2       MET   1  18.846  -7.289  -0.386
  815   2HG   MET   1          HG1       MET   1  18.676  -8.035  -1.957
  816   1HE   MET   1          HE1       MET   1  22.573  -7.504  -1.133
  817   2HE   MET   1          HE2       MET   1  21.349  -8.738  -1.432
  818   3HE   MET   1          HE3       MET   1  21.267  -7.751   0.026
  819    H    ALA   2           HN       ALA   2  16.327  -6.896  -3.853
  820    HA   ALA   2           HA       ALA   2  14.573  -4.817  -4.940
  821   1HB   ALA   2          HB1       ALA   2  13.769  -6.454  -6.549
  822   2HB   ALA   2          HB2       ALA   2  14.818  -7.679  -5.836
  823   3HB   ALA   2          HB3       ALA   2  15.520  -6.279  -6.644
  824    H    ALA   3           HN       ALA   3  12.692  -4.504  -3.989
  825    HA   ALA   3           HA       ALA   3  11.727  -6.190  -1.892
  826   1HB   ALA   3          HB1       ALA   3  11.099  -3.955  -1.657
  827   2HB   ALA   3          HB2       ALA   3   9.619  -4.722  -2.233
  828   3HB   ALA   3          HB3       ALA   3  10.629  -3.803  -3.349
  829    H    GLU   4           HN       GLU   4  11.471  -8.224  -2.715
  830    HA   GLU   4           HA       GLU   4  10.203  -8.787  -5.171
  831   1HB   GLU   4          HB2       GLU   4  11.769 -10.342  -4.149
  832   2HB   GLU   4          HB1       GLU   4  10.706 -10.546  -2.764
  833   1HG   GLU   4          HG2       GLU   4  10.641 -12.410  -4.394
  834   2HG   GLU   4          HG1       GLU   4   9.073 -11.669  -4.080
  835    H    THR   5           HN       THR   5   8.953 -10.098  -2.120
  836    HA   THR   5           HA       THR   5   6.307  -9.233  -3.042
  837    HB   THR   5           HB       THR   5   6.978 -11.631  -1.354
  838    HG1  THR   5           HG1      THR   5   6.124 -11.390  -4.062
  839   1HG2  THR   5          HG21      THR   5   4.742 -12.179  -1.346
  840   2HG2  THR   5          HG22      THR   5   4.354 -11.062  -2.651
  841   3HG2  THR   5          HG23      THR   5   4.714 -10.446  -1.042
  842    H    LEU   6           HN       LEU   6   6.503 -10.580   0.157
  843    HA   LEU   6           HA       LEU   6   5.238  -8.300   1.268
  844   1HB   LEU   6          HB2       LEU   6   6.398 -10.779   2.510
  845   2HB   LEU   6          HB1       LEU   6   5.564  -9.548   3.426
  846    HG   LEU   6           HG       LEU   6   4.227 -10.955   1.152
  847   1HD1  LEU   6          HD11      LEU   6   4.814 -11.894   3.918
  848   2HD1  LEU   6          HD12      LEU   6   4.716 -12.815   2.419
  849   3HD1  LEU   6          HD13      LEU   6   3.242 -12.273   3.221
  850   1HD2  LEU   6          HD21      LEU   6   3.031  -9.849   3.672
  851   2HD2  LEU   6          HD22      LEU   6   2.234 -10.233   2.149
  852   3HD2  LEU   6          HD23      LEU   6   3.308  -8.848   2.253
  853    H    THR   7           HN       THR   7   6.855  -6.583   0.963
  854    HA   THR   7           HA       THR   7   9.329  -6.782   2.393
  855    HB   THR   7           HB       THR   7   8.722  -4.057   2.239
  856    HG1  THR   7           HG1      THR   7   7.577  -3.758   0.475
  857   1HG2  THR   7          HG21      THR   7  10.869  -5.404   1.710
  858   2HG2  THR   7          HG22      THR   7  10.562  -3.915   0.822
  859   3HG2  THR   7          HG23      THR   7  10.242  -5.475   0.055
  860    H    GLU   8           HN       GLU   8   9.741  -5.187   4.303
  861    HA   GLU   8           HA       GLU   8   8.358  -5.992   6.495
  862   1HB   GLU   8          HB2       GLU   8   9.200  -3.129   6.348
  863   2HB   GLU   8          HB1       GLU   8   9.280  -4.225   7.716
  864   1HG   GLU   8          HG2       GLU   8  11.060  -4.184   5.294
  865   2HG   GLU   8          HG1       GLU   8  11.500  -3.877   6.971
  866    H    LEU   9           HN       LEU   9   7.373  -3.626   4.197
  867    HA   LEU   9           HA       LEU   9   5.349  -2.248   5.411
  868   1HB   LEU   9          HB2       LEU   9   5.027  -3.358   2.671
  869   2HB   LEU   9          HB1       LEU   9   4.517  -1.803   3.286
  870    HG   LEU   9           HG       LEU   9   7.221  -2.678   2.381
  871   1HD1  LEU   9          HD11      LEU   9   7.111  -0.493   1.243
  872   2HD1  LEU   9          HD12      LEU   9   5.470  -0.308   1.855
  873   3HD1  LEU   9          HD13      LEU   9   5.861  -1.633   0.760
  874   1HD2  LEU   9          HD21      LEU   9   8.412  -1.147   3.561
  875   2HD2  LEU   9          HD22      LEU   9   7.190  -1.503   4.774
  876   3HD2  LEU   9          HD23      LEU   9   7.043  -0.068   3.771
  877    H    GLU  10           HN       GLU  10   5.349  -5.604   4.518
  878    HA   GLU  10           HA       GLU  10   2.629  -6.086   4.399
  879   1HB   GLU  10          HB2       GLU  10   3.309  -8.365   5.491
  880   2HB   GLU  10          HB1       GLU  10   3.862  -7.961   3.866
  881   1HG   GLU  10          HG2       GLU  10   5.985  -8.065   4.505
  882   2HG   GLU  10          HG1       GLU  10   5.694  -6.961   5.844
  883    H    ALA  11           HN       ALA  11   4.702  -5.632   7.189
  884    HA   ALA  11           HA       ALA  11   2.878  -6.343   9.194
  885   1HB   ALA  11          HB1       ALA  11   5.444  -5.435   9.177
  886   2HB   ALA  11          HB2       ALA  11   4.448  -5.571  10.623
  887   3HB   ALA  11          HB3       ALA  11   4.584  -4.023   9.789
  888    H    ALA  12           HN       ALA  12   3.268  -3.487   7.246
  889    HA   ALA  12           HA       ALA  12   1.421  -1.846   8.657
  890   1HB   ALA  12          HB1       ALA  12   1.563  -0.354   6.778
  891   2HB   ALA  12          HB2       ALA  12   2.247  -1.625   5.765
  892   3HB   ALA  12          HB3       ALA  12   3.177  -0.979   7.117
  893    H    ILE  13           HN       ILE  13   1.151  -4.365   6.290
  894    HA   ILE  13           HA       ILE  13  -1.296  -3.814   5.133
  895    HB   ILE  13           HB       ILE  13   0.407  -5.837   4.838
  896   1HG1  ILE  13          HG12      ILE  13  -1.345  -7.007   3.499
  897   2HG1  ILE  13          HG11      ILE  13  -2.555  -5.968   4.253
  898   1HG2  ILE  13          HG21      ILE  13  -1.816  -7.317   6.198
  899   2HG2  ILE  13          HG22      ILE  13  -0.380  -6.809   7.083
  900   3HG2  ILE  13          HG23      ILE  13  -0.226  -7.904   5.710
  901   1HD1  ILE  13          HD11      ILE  13  -0.707  -5.433   2.077
  902   2HD1  ILE  13          HD12      ILE  13  -0.744  -4.165   3.299
  903   3HD1  ILE  13          HD13      ILE  13  -2.234  -4.653   2.489
  904    H    GLU  14           HN       GLU  14  -0.507  -4.852   8.329
  905    HA   GLU  14           HA       GLU  14  -2.999  -5.846   9.154
  906   1HB   GLU  14          HB2       GLU  14  -0.822  -4.540  10.791
  907   2HB   GLU  14          HB1       GLU  14  -2.153  -5.490  11.439
  908   1HG   GLU  14          HG2       GLU  14  -1.335  -7.458  10.265
  909   2HG   GLU  14          HG1       GLU  14  -0.017  -6.510   9.580
  910    H    THR  15           HN       THR  15  -1.620  -2.540   9.330
  911    HA   THR  15           HA       THR  15  -3.737  -1.471  10.806
  912    HB   THR  15           HB       THR  15  -1.919  -0.056   8.869
  913    HG1  THR  15           HG1      THR  15  -0.821   0.509  10.884
  914   1HG2  THR  15          HG21      THR  15  -3.827   1.326   9.333
  915   2HG2  THR  15          HG22      THR  15  -2.475   1.945  10.280
  916   3HG2  THR  15          HG23      THR  15  -3.725   0.974  11.058
  917    H    VAL  16           HN       VAL  16  -2.972  -1.274   7.390
  918    HA   VAL  16           HA       VAL  16  -5.276   0.002   6.456
  919    HB   VAL  16           HB       VAL  16  -3.264  -0.239   5.109
  920   1HG1  VAL  16          HG11      VAL  16  -3.920  -3.184   4.958
  921   2HG1  VAL  16          HG12      VAL  16  -2.626  -2.483   5.930
  922   3HG1  VAL  16          HG13      VAL  16  -2.573  -2.361   4.173
  923   1HG2  VAL  16          HG21      VAL  16  -5.745  -1.512   3.997
  924   2HG2  VAL  16          HG22      VAL  16  -4.323  -1.210   3.003
  925   3HG2  VAL  16          HG23      VAL  16  -5.157   0.127   3.781
  926    H    VAL  17           HN       VAL  17  -4.624  -3.488   6.741
  927    HA   VAL  17           HA       VAL  17  -7.170  -4.194   5.679
  928    HB   VAL  17           HB       VAL  17  -5.182  -5.713   5.668
  929   1HG1  VAL  17          HG11      VAL  17  -5.874  -6.452   8.484
  930   2HG1  VAL  17          HG12      VAL  17  -4.704  -5.176   8.157
  931   3HG1  VAL  17          HG13      VAL  17  -4.412  -6.811   7.564
  932   1HG2  VAL  17          HG21      VAL  17  -6.477  -7.757   6.111
  933   2HG2  VAL  17          HG22      VAL  17  -7.400  -6.566   5.195
  934   3HG2  VAL  17          HG23      VAL  17  -7.707  -6.786   6.918
  935    H    SER  18           HN       SER  18  -5.868  -3.733   8.907
  936    HA   SER  18           HA       SER  18  -8.289  -4.603  10.196
  937   1HB   SER  18          HB2       SER  18  -5.864  -3.202  11.346
  938   2HB   SER  18          HB1       SER  18  -7.166  -3.932  12.283
  939    HG   SER  18           HG       SER  18  -5.020  -5.126  11.545
  940    H    THR  19           HN       THR  19  -7.287  -1.716   8.723
  941    HA   THR  19           HA       THR  19  -8.831  -0.018  10.466
  942    HB   THR  19           HB       THR  19  -8.348   1.709   8.559
  943    HG1  THR  19           HG1      THR  19  -7.348  -0.321   7.373
  944   1HG2  THR  19          HG21      THR  19  -6.200   0.615  10.375
  945   2HG2  THR  19          HG22      THR  19  -7.394   1.846  10.780
  946   3HG2  THR  19          HG23      THR  19  -6.152   2.185   9.576
  947    H    PHE  20           HN       PHE  20  -9.084   0.403   6.978
  948    HA   PHE  20           HA       PHE  20 -11.947   0.588   7.311
  949   1HB   PHE  20          HB2       PHE  20 -10.605   2.123   5.851
  950   2HB   PHE  20          HB1       PHE  20 -10.413   0.772   4.737
  951    HD1  PHE  20           HD1      PHE  20 -11.802   0.963   2.918
  952    HD2  PHE  20           HD2      PHE  20 -13.208   2.175   6.739
  953    HE1  PHE  20           HE1      PHE  20 -14.005   1.509   1.935
  954    HE2  PHE  20           HE2      PHE  20 -15.402   2.712   5.782
  955    HZ   PHE  20           HZ       PHE  20 -15.803   2.383   3.385
  956    H    PHE  21           HN       PHE  21  -9.747  -1.497   5.579
  957    HA   PHE  21           HA       PHE  21 -11.514  -2.998   4.197
  958   1HB   PHE  21          HB2       PHE  21  -9.038  -3.957   5.652
  959   2HB   PHE  21          HB1       PHE  21  -9.843  -4.849   4.386
  960    HD1  PHE  21           HD1      PHE  21  -7.217  -4.635   3.791
  961    HD2  PHE  21           HD2      PHE  21 -10.119  -1.542   3.445
  962    HE1  PHE  21           HE1      PHE  21  -5.786  -3.480   2.165
  963    HE2  PHE  21           HE2      PHE  21  -8.699  -0.397   1.818
  964    HZ   PHE  21           HZ       PHE  21  -6.530  -1.362   1.163
  965    H    THR  22           HN       THR  22 -11.179  -2.899   7.622
  966    HA   THR  22           HA       THR  22 -12.349  -5.306   8.348
  967    HB   THR  22           HB       THR  22 -13.073  -4.168  10.400
  968    HG1  THR  22           HG1      THR  22 -13.287  -2.076   8.886
  969   1HG2  THR  22          HG21      THR  22 -10.355  -3.302   9.456
  970   2HG2  THR  22          HG22      THR  22 -10.744  -4.880  10.140
  971   3HG2  THR  22          HG23      THR  22 -10.882  -3.431  11.135
  972    H    PHE  23           HN       PHE  23 -13.703  -2.619   6.703
  973    HA   PHE  23           HA       PHE  23 -16.380  -2.892   7.472
  974   1HB   PHE  23          HB2       PHE  23 -16.648  -1.074   6.198
  975   2HB   PHE  23          HB1       PHE  23 -14.916  -1.151   5.932
  976    HD1  PHE  23           HD1      PHE  23 -14.442  -0.440   3.910
  977    HD2  PHE  23           HD2      PHE  23 -17.778  -3.019   4.321
  978    HE1  PHE  23           HE1      PHE  23 -14.754  -0.419   1.481
  979    HE2  PHE  23           HE2      PHE  23 -18.090  -3.022   1.904
  980    HZ   PHE  23           HZ       PHE  23 -16.585  -1.713   0.486
  981    H    ALA  24           HN       ALA  24 -14.393  -4.863   5.550
  982    HA   ALA  24           HA       ALA  24 -15.899  -6.117   3.682
  983   1HB   ALA  24          HB1       ALA  24 -13.620  -6.772   5.072
  984   2HB   ALA  24          HB2       ALA  24 -14.358  -7.750   3.804
  985   3HB   ALA  24          HB3       ALA  24 -14.717  -8.083   5.498
  986    H    GLY  25           HN       GLY  25 -16.107  -6.689   7.150
  987   1HA   GLY  25          HA2       GLY  25 -17.864  -8.654   7.495
  988   2HA   GLY  25          HA1       GLY  25 -17.964  -7.180   8.445
  989    H    ARG  26           HN       ARG  26 -18.735  -5.567   6.019
  990    HA   ARG  26           HA       ARG  26 -21.455  -5.479   6.241
  991   1HB   ARG  26          HB2       ARG  26 -19.602  -4.825   4.004
  992   2HB   ARG  26          HB1       ARG  26 -21.317  -4.865   3.653
  993   1HG   ARG  26          HG2       ARG  26 -20.217  -3.263   5.927
  994   2HG   ARG  26          HG1       ARG  26 -20.283  -2.639   4.278
  995   1HD   ARG  26          HD2       ARG  26 -22.278  -1.899   5.187
  996   2HD   ARG  26          HD1       ARG  26 -22.725  -3.372   4.319
  997    HE   ARG  26           HE       ARG  26 -22.095  -3.857   7.069
  998   1HH1  ARG  26          HH11      ARG  26 -24.598  -2.789   4.898
  999   2HH1  ARG  26          HH12      ARG  26 -25.890  -3.255   5.952
 1000   1HH2  ARG  26          HH21      ARG  26 -23.788  -4.472   8.465
 1001   2HH2  ARG  26          HH22      ARG  26 -25.429  -4.210   7.981
 1002    H    GLU  27           HN       GLU  27 -19.579  -7.439   4.022
 1003    HA   GLU  27           HA       GLU  27 -21.911  -8.899   3.103
 1004   1HB   GLU  27          HB2       GLU  27 -18.985  -9.495   2.622
 1005   2HB   GLU  27          HB1       GLU  27 -20.347 -10.159   1.730
 1006   1HG   GLU  27          HG2       GLU  27 -19.491  -7.275   1.782
 1007   2HG   GLU  27          HG1       GLU  27 -19.245  -8.418   0.461
 1008    H    GLY  28           HN       GLY  28 -22.759 -10.601   4.083
 1009   1HA   GLY  28          HA2       GLY  28 -22.202 -11.617   6.510
 1010   2HA   GLY  28          HA1       GLY  28 -22.909 -12.597   5.240
 1011    H    ARG  29           HN       ARG  29 -21.535 -13.928   3.964
 1012    HA   ARG  29           HA       ARG  29 -19.789 -15.497   5.304
 1013   1HB   ARG  29          HB2       ARG  29 -20.659 -16.011   3.061
 1014   2HB   ARG  29          HB1       ARG  29 -19.594 -14.796   2.369
 1015   1HG   ARG  29          HG2       ARG  29 -17.643 -16.076   3.036
 1016   2HG   ARG  29          HG1       ARG  29 -18.678 -17.267   3.831
 1017   1HD   ARG  29          HD2       ARG  29 -19.724 -17.763   1.650
 1018   2HD   ARG  29          HD1       ARG  29 -18.615 -16.627   0.884
 1019    HE   ARG  29           HE       ARG  29 -17.154 -18.542   2.346
 1020   1HH1  ARG  29          HH11      ARG  29 -19.066 -18.219  -0.546
 1021   2HH1  ARG  29          HH12      ARG  29 -18.243 -19.489  -1.388
 1022   1HH2  ARG  29          HH21      ARG  29 -16.063 -20.216   1.246
 1023   2HH2  ARG  29          HH22      ARG  29 -16.537 -20.626  -0.368
 1024    H    LYS  30           HN       LYS  30 -17.412 -15.813   4.985
 1025    HA   LYS  30           HA       LYS  30 -16.041 -13.236   5.369
 1026   1HB   LYS  30          HB2       LYS  30 -14.801 -15.958   5.765
 1027   2HB   LYS  30          HB1       LYS  30 -14.372 -14.429   6.522
 1028   1HG   LYS  30          HG2       LYS  30 -16.907 -15.963   7.059
 1029   2HG   LYS  30          HG1       LYS  30 -15.469 -15.975   8.082
 1030   1HD   LYS  30          HD2       LYS  30 -17.140 -13.554   7.406
 1031   2HD   LYS  30          HD1       LYS  30 -17.160 -14.429   8.939
 1032   1HE   LYS  30          HE2       LYS  30 -14.803 -12.971   7.747
 1033   2HE   LYS  30          HE1       LYS  30 -15.792 -12.418   9.098
 1034   1HZ   LYS  30          HZ1       LYS  30 -13.729 -13.436   9.850
 1035   2HZ   LYS  30          HZ2       LYS  30 -14.135 -14.884   9.076
 1036   3HZ   LYS  30          HZ3       LYS  30 -15.066 -14.330  10.375
 1037    H    GLY  31           HN       GLY  31 -16.628 -13.438   2.822
 1038   1HA   GLY  31          HA2       GLY  31 -14.358 -14.684   1.403
 1039   2HA   GLY  31          HA1       GLY  31 -15.829 -14.055   0.658
 1040    H    SER  32           HN       SER  32 -16.114 -11.693   0.704
 1041    HA   SER  32           HA       SER  32 -13.624 -10.291   1.198
 1042   1HB   SER  32          HB2       SER  32 -13.662  -9.203  -1.004
 1043   2HB   SER  32          HB1       SER  32 -13.398 -10.949  -1.079
 1044    HG   SER  32           HG       SER  32 -15.941  -9.725  -1.395
 1045    H    LEU  33           HN       LEU  33 -13.838  -7.983   0.546
 1046    HA   LEU  33           HA       LEU  33 -16.198  -6.887   1.860
 1047   1HB   LEU  33          HB2       LEU  33 -14.183  -6.107   2.776
 1048   2HB   LEU  33          HB1       LEU  33 -13.452  -5.924   1.204
 1049    HG   LEU  33           HG       LEU  33 -15.765  -4.194   1.796
 1050   1HD1  LEU  33          HD11      LEU  33 -13.332  -4.291   3.422
 1051   2HD1  LEU  33          HD12      LEU  33 -14.900  -3.621   3.784
 1052   3HD1  LEU  33          HD13      LEU  33 -13.755  -2.703   2.814
 1053   1HD2  LEU  33          HD21      LEU  33 -14.884  -2.965   0.145
 1054   2HD2  LEU  33          HD22      LEU  33 -13.860  -4.364  -0.172
 1055   3HD2  LEU  33          HD23      LEU  33 -13.268  -3.048   0.836
 1056    H    ASN  34           HN       ASN  34 -17.320  -4.992   0.767
 1057    HA   ASN  34           HA       ASN  34 -16.837  -5.158  -2.088
 1058   1HB   ASN  34          HB2       ASN  34 -18.831  -6.470  -1.280
 1059   2HB   ASN  34          HB1       ASN  34 -19.565  -4.939  -0.818
 1060   1HD2  ASN  34          HD21      ASN  34 -18.509  -6.949  -3.455
 1061   2HD2  ASN  34          HD22      ASN  34 -19.391  -6.138  -4.699
 1062    H    ILE  35           HN       ILE  35 -19.434  -3.170  -1.552
 1063    HA   ILE  35           HA       ILE  35 -17.762  -0.881  -0.971
 1064    HB   ILE  35           HB       ILE  35 -19.163   0.341  -2.824
 1065   1HG1  ILE  35          HG12      ILE  35 -19.458  -1.099  -4.800
 1066   2HG1  ILE  35          HG11      ILE  35 -18.955  -2.487  -3.849
 1067   1HG2  ILE  35          HG21      ILE  35 -17.154   0.623  -3.741
 1068   2HG2  ILE  35          HG22      ILE  35 -17.014  -1.084  -4.144
 1069   3HG2  ILE  35          HG23      ILE  35 -16.555  -0.518  -2.540
 1070   1HD1  ILE  35          HD11      ILE  35 -21.321  -2.486  -4.028
 1071   2HD1  ILE  35          HD12      ILE  35 -21.407  -0.830  -3.424
 1072   3HD1  ILE  35          HD13      ILE  35 -20.861  -2.132  -2.364
 1073    H    ASN  36           HN       ASN  36 -19.707  -2.148   0.652
 1074    HA   ASN  36           HA       ASN  36 -22.023  -0.423   0.605
 1075   1HB   ASN  36          HB2       ASN  36 -21.129  -2.540   2.571
 1076   2HB   ASN  36          HB1       ASN  36 -22.602  -1.594   2.755
 1077   1HD2  ASN  36          HD21      ASN  36 -24.328  -1.958   1.375
 1078   2HD2  ASN  36          HD22      ASN  36 -24.440  -3.376   0.395
 1079    H    GLU  37           HN       GLU  37 -19.560  -1.128   3.126
 1080    HA   GLU  37           HA       GLU  37 -20.005   1.505   4.190
 1081   1HB   GLU  37          HB2       GLU  37 -17.518   0.018   4.841
 1082   2HB   GLU  37          HB1       GLU  37 -18.493   1.055   5.856
 1083   1HG   GLU  37          HG2       GLU  37 -20.287  -0.797   5.486
 1084   2HG   GLU  37          HG1       GLU  37 -18.875  -1.793   5.148
 1085    H    PHE  38           HN       PHE  38 -17.985   0.227   1.685
 1086    HA   PHE  38           HA       PHE  38 -15.949   2.070   1.554
 1087   1HB   PHE  38          HB2       PHE  38 -16.486   0.115  -0.028
 1088   2HB   PHE  38          HB1       PHE  38 -17.519   1.250  -0.885
 1089    HD1  PHE  38           HD1      PHE  38 -16.242   3.582  -1.333
 1090    HD2  PHE  38           HD2      PHE  38 -14.431  -0.230  -0.899
 1091    HE1  PHE  38           HE1      PHE  38 -14.299   4.372  -2.596
 1092    HE2  PHE  38           HE2      PHE  38 -12.467   0.547  -2.165
 1093    HZ   PHE  38           HZ       PHE  38 -12.397   2.856  -3.016
 1094    H    LYS  39           HN       LYS  39 -19.351   2.347   0.900
 1095    HA   LYS  39           HA       LYS  39 -19.408   4.824  -0.438
 1096   1HB   LYS  39          HB2       LYS  39 -21.524   3.818   1.453
 1097   2HB   LYS  39          HB1       LYS  39 -21.739   4.859   0.050
 1098   1HG   LYS  39          HG2       LYS  39 -20.476   2.410  -0.683
 1099   2HG   LYS  39          HG1       LYS  39 -21.976   2.083   0.181
 1100   1HD   LYS  39          HD2       LYS  39 -21.678   3.881  -2.226
 1101   2HD   LYS  39          HD1       LYS  39 -22.339   2.244  -2.233
 1102   1HE   LYS  39          HE2       LYS  39 -23.480   4.600  -0.733
 1103   2HE   LYS  39          HE1       LYS  39 -24.114   3.930  -2.235
 1104   1HZ   LYS  39          HZ1       LYS  39 -24.523   1.842  -1.076
 1105   2HZ   LYS  39          HZ2       LYS  39 -25.351   3.119  -0.339
 1106   3HZ   LYS  39          HZ3       LYS  39 -23.940   2.507   0.366
 1107    H    GLU  40           HN       GLU  40 -18.586   4.079   2.747
 1108    HA   GLU  40           HA       GLU  40 -19.173   6.702   3.768
 1109   1HB   GLU  40          HB2       GLU  40 -18.457   5.909   5.842
 1110   2HB   GLU  40          HB1       GLU  40 -19.101   4.454   5.090
 1111   1HG   GLU  40          HG2       GLU  40 -17.182   3.428   5.406
 1112   2HG   GLU  40          HG1       GLU  40 -16.340   4.630   4.436
 1113    H    LEU  41           HN       LEU  41 -16.990   5.603   1.549
 1114    HA   LEU  41           HA       LEU  41 -14.631   6.840   2.592
 1115   1HB   LEU  41          HB2       LEU  41 -15.183   5.523  -0.047
 1116   2HB   LEU  41          HB1       LEU  41 -13.619   6.155   0.415
 1117    HG   LEU  41           HG       LEU  41 -15.094   3.816   1.492
 1118   1HD1  LEU  41          HD11      LEU  41 -12.817   4.249  -0.214
 1119   2HD1  LEU  41          HD12      LEU  41 -13.671   2.750   0.150
 1120   3HD1  LEU  41          HD13      LEU  41 -12.364   3.290   1.195
 1121   1HD2  LEU  41          HD21      LEU  41 -13.184   5.582   2.897
 1122   2HD2  LEU  41          HD22      LEU  41 -12.874   3.857   3.042
 1123   3HD2  LEU  41          HD23      LEU  41 -14.426   4.520   3.556
 1124    H    ALA  42           HN       ALA  42 -15.521   7.191  -0.761
 1125    HA   ALA  42           HA       ALA  42 -14.420   9.616  -1.225
 1126   1HB   ALA  42          HB1       ALA  42 -16.118   9.961  -2.976
 1127   2HB   ALA  42          HB2       ALA  42 -16.993   8.576  -2.330
 1128   3HB   ALA  42          HB3       ALA  42 -15.379   8.365  -2.990
 1129    H    THR  43           HN       THR  43 -17.457   9.016   0.293
 1130    HA   THR  43           HA       THR  43 -18.510  11.582   0.367
 1131    HB   THR  43           HB       THR  43 -19.574  10.670   2.592
 1132    HG1  THR  43           HG1      THR  43 -18.617   8.233   1.430
 1133   1HG2  THR  43          HG21      THR  43 -20.020   9.522  -0.150
 1134   2HG2  THR  43          HG22      THR  43 -20.860  10.877   0.596
 1135   3HG2  THR  43          HG23      THR  43 -21.112   9.241   1.205
 1136    H    GLN  44           HN       GLN  44 -16.995   9.903   3.097
 1137    HA   GLN  44           HA       GLN  44 -16.360  12.337   4.522
 1138   1HB   GLN  44          HB2       GLN  44 -15.435   9.488   5.010
 1139   2HB   GLN  44          HB1       GLN  44 -15.500  10.801   6.196
 1140   1HG   GLN  44          HG2       GLN  44 -17.863   9.513   4.830
 1141   2HG   GLN  44          HG1       GLN  44 -17.329   9.208   6.491
 1142   1HE2  GLN  44          HE21      GLN  44 -17.613  10.822   8.058
 1143   2HE2  GLN  44          HE22      GLN  44 -18.725  12.123   7.831
 1144    H    GLN  45           HN       GLN  45 -14.818  10.260   2.309
 1145    HA   GLN  45           HA       GLN  45 -12.106  10.915   2.778
 1146   1HB   GLN  45          HB2       GLN  45 -13.683   9.747   0.508
 1147   2HB   GLN  45          HB1       GLN  45 -11.966  10.068   0.352
 1148   1HG   GLN  45          HG2       GLN  45 -12.813   8.550   2.725
 1149   2HG   GLN  45          HG1       GLN  45 -12.956   7.736   1.167
 1150   1HE2  GLN  45          HE21      GLN  45 -11.133   7.322  -0.039
 1151   2HE2  GLN  45          HE22      GLN  45  -9.542   7.424   0.622
 1152    H    LEU  46           HN       LEU  46 -14.723  12.099   0.711
 1153    HA   LEU  46           HA       LEU  46 -13.623  13.669  -1.147
 1154   1HB   LEU  46          HB2       LEU  46 -16.048  13.920   0.490
 1155   2HB   LEU  46          HB1       LEU  46 -15.477  15.452  -0.125
 1156    HG   LEU  46           HG       LEU  46 -16.603  13.113  -1.617
 1157   1HD1  LEU  46          HD11      LEU  46 -17.858  14.887  -2.734
 1158   2HD1  LEU  46          HD12      LEU  46 -17.014  16.088  -1.756
 1159   3HD1  LEU  46          HD13      LEU  46 -18.078  14.911  -0.985
 1160   1HD2  LEU  46          HD21      LEU  46 -14.694  15.159  -2.730
 1161   2HD2  LEU  46          HD22      LEU  46 -15.823  14.243  -3.726
 1162   3HD2  LEU  46          HD23      LEU  46 -14.574  13.402  -2.813
 1163    HA   PRO  47           HA       PRO  47 -12.244  17.076   1.708
 1164   1HB   PRO  47          HB2       PRO  47 -13.105  17.316   4.214
 1165   2HB   PRO  47          HB1       PRO  47 -14.159  17.762   2.869
 1166   1HG   PRO  47          HG2       PRO  47 -14.183  15.326   4.591
 1167   2HG   PRO  47          HG1       PRO  47 -15.546  16.223   3.901
 1168   1HD   PRO  47          HD2       PRO  47 -14.403  13.877   2.853
 1169   2HD   PRO  47          HD1       PRO  47 -15.515  14.973   2.016
 1170    H    HIS  48           HN       HIS  48 -10.360  15.649   1.566
 1171    HA   HIS  48           HA       HIS  48  -9.472  14.653   4.166
 1172   1HB   HIS  48          HB2       HIS  48  -9.129  13.661   1.590
 1173   2HB   HIS  48          HB1       HIS  48  -7.551  14.322   2.012
 1174    HD1  HIS  48           HD1      HIS  48  -6.353  13.303   4.121
 1175    HD2  HIS  48           HD2      HIS  48  -9.837  11.337   2.994
 1176    HE1  HIS  48           HE1      HIS  48  -6.360  11.149   5.416
 1177    HE2  HIS  48           HE2      HIS  48  -8.507  10.004   4.762
 1178    H    LEU  49           HN       LEU  49  -6.639  15.109   3.485
 1179    HA   LEU  49           HA       LEU  49  -6.509  17.906   4.165
 1180   1HB   LEU  49          HB2       LEU  49  -4.902  16.439   5.224
 1181   2HB   LEU  49          HB1       LEU  49  -4.361  15.831   3.672
 1182    HG   LEU  49           HG       LEU  49  -3.351  17.972   3.134
 1183   1HD1  LEU  49          HD11      LEU  49  -4.929  19.456   4.210
 1184   2HD1  LEU  49          HD12      LEU  49  -3.300  19.783   4.803
 1185   3HD1  LEU  49          HD13      LEU  49  -4.435  18.873   5.799
 1186   1HD2  LEU  49          HD21      LEU  49  -2.617  17.036   5.906
 1187   2HD2  LEU  49          HD22      LEU  49  -1.608  18.027   4.853
 1188   3HD2  LEU  49          HD23      LEU  49  -2.009  16.374   4.388
 1189    H    LEU  50           HN       LEU  50  -4.338  16.391   1.830
 1190    HA   LEU  50           HA       LEU  50  -4.911  18.475  -0.113
 1191   1HB   LEU  50          HB2       LEU  50  -2.575  17.720   0.444
 1192   2HB   LEU  50          HB1       LEU  50  -2.947  16.199  -0.345
 1193    HG   LEU  50           HG       LEU  50  -3.245  17.320  -2.476
 1194   1HD1  LEU  50          HD11      LEU  50  -4.189  19.415  -1.686
 1195   2HD1  LEU  50          HD12      LEU  50  -2.786  19.718  -2.711
 1196   3HD1  LEU  50          HD13      LEU  50  -2.643  19.856  -0.959
 1197   1HD2  LEU  50          HD21      LEU  50  -0.951  18.100  -2.832
 1198   2HD2  LEU  50          HD22      LEU  50  -0.994  16.619  -1.875
 1199   3HD2  LEU  50          HD23      LEU  50  -0.707  18.170  -1.087
 1200    H    LYS  51           HN       LYS  51  -6.885  16.271   0.489
 1201    HA   LYS  51           HA       LYS  51  -7.120  14.221  -1.207
 1202   1HB   LYS  51          HB2       LYS  51  -8.818  15.234   0.484
 1203   2HB   LYS  51          HB1       LYS  51  -9.476  16.040  -0.918
 1204   1HG   LYS  51          HG2       LYS  51 -10.657  13.947  -0.357
 1205   2HG   LYS  51          HG1       LYS  51  -9.972  13.936  -1.978
 1206   1HD   LYS  51          HD2       LYS  51  -8.716  12.167  -1.535
 1207   2HD   LYS  51          HD1       LYS  51  -8.117  12.874  -0.032
 1208   1HE   LYS  51          HE2       LYS  51  -9.880  11.997   1.214
 1209   2HE   LYS  51          HE1       LYS  51 -10.887  11.722  -0.201
 1210   1HZ   LYS  51          HZ1       LYS  51  -8.434  10.279  -0.289
 1211   2HZ   LYS  51          HZ2       LYS  51 -10.012   9.707  -0.454
 1212   3HZ   LYS  51          HZ3       LYS  51  -9.328   9.891   1.083
 1213    H    ASP  52           HN       ASP  52  -8.400  13.889  -3.095
 1214    HA   ASP  52           HA       ASP  52  -7.929  15.963  -5.119
 1215   1HB   ASP  52          HB2       ASP  52  -8.133  12.958  -5.305
 1216   2HB   ASP  52          HB1       ASP  52  -8.212  13.996  -6.727
 1217    H    VAL  53           HN       VAL  53 -10.270  15.419  -3.154
 1218    HA   VAL  53           HA       VAL  53 -12.527  15.485  -3.145
 1219    HB   VAL  53           HB       VAL  53 -11.989  16.907  -5.740
 1220   1HG1  VAL  53          HG11      VAL  53 -14.221  17.982  -5.327
 1221   2HG1  VAL  53          HG12      VAL  53 -14.508  16.757  -4.091
 1222   3HG1  VAL  53          HG13      VAL  53 -14.297  16.279  -5.774
 1223   1HG2  VAL  53          HG21      VAL  53 -10.900  17.950  -3.858
 1224   2HG2  VAL  53          HG22      VAL  53 -12.404  17.927  -2.938
 1225   3HG2  VAL  53          HG23      VAL  53 -12.264  18.941  -4.374
 1226    H    GLY  54           HN       GLY  54 -12.516  13.129  -3.395
 1227   1HA   GLY  54          HA2       GLY  54 -12.743  11.535  -5.526
 1228   2HA   GLY  54          HA1       GLY  54 -13.805  11.349  -4.136
 1229    H    SER  55           HN       SER  55 -13.578  12.105  -7.410
 1230    HA   SER  55           HA       SER  55 -15.687  13.759  -7.954
 1231   1HB   SER  55          HB2       SER  55 -13.991  12.666  -9.500
 1232   2HB   SER  55          HB1       SER  55 -15.101  11.296  -9.577
 1233    HG   SER  55           HG       SER  55 -15.507  12.755 -11.277
 1234    H    LEU  56           HN       LEU  56 -17.790  13.682  -7.669
 1235    HA   LEU  56           HA       LEU  56 -19.113  11.946  -6.112
 1236   1HB   LEU  56          HB2       LEU  56 -21.206  12.652  -7.512
 1237   2HB   LEU  56          HB1       LEU  56 -20.337  13.821  -6.538
 1238    HG   LEU  56           HG       LEU  56 -19.315  13.643  -9.270
 1239   1HD1  LEU  56          HD11      LEU  56 -22.151  14.572  -8.833
 1240   2HD1  LEU  56          HD12      LEU  56 -21.657  13.152  -9.755
 1241   3HD1  LEU  56          HD13      LEU  56 -21.213  14.766 -10.314
 1242   1HD2  LEU  56          HD21      LEU  56 -18.688  15.399  -7.701
 1243   2HD2  LEU  56          HD22      LEU  56 -20.372  15.906  -7.578
 1244   3HD2  LEU  56          HD23      LEU  56 -19.509  16.078  -9.106
 1245    H    ASP  57           HN       ASP  57 -19.937  11.826  -9.565
 1246    HA   ASP  57           HA       ASP  57 -21.190   9.426  -9.598
 1247   1HB   ASP  57          HB2       ASP  57 -20.114   9.200 -11.976
 1248   2HB   ASP  57          HB1       ASP  57 -21.339  10.428 -11.652
 1249    H    GLU  58           HN       GLU  58 -17.803   9.958  -9.772
 1250    HA   GLU  58           HA       GLU  58 -16.883   7.438 -10.472
 1251   1HB   GLU  58          HB2       GLU  58 -15.477   9.510 -10.211
 1252   2HB   GLU  58          HB1       GLU  58 -15.556   9.274  -8.467
 1253   1HG   GLU  58          HG2       GLU  58 -14.453   7.109  -8.713
 1254   2HG   GLU  58          HG1       GLU  58 -14.389   7.340 -10.460
 1255    H    LYS  59           HN       LYS  59 -18.028   8.745  -7.467
 1256    HA   LYS  59           HA       LYS  59 -17.277   6.634  -5.801
 1257   1HB   LYS  59          HB2       LYS  59 -19.669   8.449  -5.492
 1258   2HB   LYS  59          HB1       LYS  59 -18.880   7.534  -4.209
 1259   1HG   LYS  59          HG2       LYS  59 -16.866   8.834  -4.499
 1260   2HG   LYS  59          HG1       LYS  59 -17.608   9.735  -5.813
 1261   1HD   LYS  59          HD2       LYS  59 -18.306   9.793  -2.889
 1262   2HD   LYS  59          HD1       LYS  59 -17.752  11.123  -3.912
 1263   1HE   LYS  59          HE2       LYS  59 -19.973  10.509  -5.240
 1264   2HE   LYS  59          HE1       LYS  59 -20.445   9.859  -3.676
 1265   1HZ   LYS  59          HZ1       LYS  59 -20.069  12.002  -2.675
 1266   2HZ   LYS  59          HZ2       LYS  59 -21.145  12.166  -3.969
 1267   3HZ   LYS  59          HZ3       LYS  59 -19.533  12.644  -4.145
 1268    H    MET  60           HN       MET  60 -19.952   7.160  -7.945
 1269    HA   MET  60           HA       MET  60 -21.393   4.824  -6.996
 1270   1HB   MET  60          HB2       MET  60 -21.877   6.625  -9.380
 1271   2HB   MET  60          HB1       MET  60 -22.953   5.333  -8.862
 1272   1HG   MET  60          HG2       MET  60 -22.228   7.769  -7.251
 1273   2HG   MET  60          HG1       MET  60 -23.736   7.523  -8.130
 1274   1HE   MET  60          HE1       MET  60 -24.874   7.247  -4.393
 1275   2HE   MET  60          HE2       MET  60 -25.148   8.043  -5.942
 1276   3HE   MET  60          HE3       MET  60 -23.648   8.326  -5.059
 1277    H    LYS  61           HN       LYS  61 -19.172   5.667  -9.505
 1278    HA   LYS  61           HA       LYS  61 -19.577   3.259 -11.033
 1279   1HB   LYS  61          HB2       LYS  61 -18.997   5.124 -12.303
 1280   2HB   LYS  61          HB1       LYS  61 -17.655   5.554 -11.254
 1281   1HG   LYS  61          HG2       LYS  61 -16.500   3.493 -11.999
 1282   2HG   LYS  61          HG1       LYS  61 -17.820   3.209 -13.136
 1283   1HD   LYS  61          HD2       LYS  61 -16.013   5.627 -13.091
 1284   2HD   LYS  61          HD1       LYS  61 -15.924   4.290 -14.239
 1285   1HE   LYS  61          HE2       LYS  61 -18.173   4.827 -15.036
 1286   2HE   LYS  61          HE1       LYS  61 -18.270   6.154 -13.881
 1287   1HZ   LYS  61          HZ1       LYS  61 -16.418   7.221 -15.001
 1288   2HZ   LYS  61          HZ2       LYS  61 -17.679   6.934 -16.091
 1289   3HZ   LYS  61          HZ3       LYS  61 -16.310   5.941 -16.104
 1290    H    THR  62           HN       THR  62 -16.704   4.625  -9.410
 1291    HA   THR  62           HA       THR  62 -15.138   2.372  -9.432
 1292    HB   THR  62           HB       THR  62 -15.320   4.425  -7.218
 1293    HG1  THR  62           HG1      THR  62 -14.790   5.188  -9.360
 1294   1HG2  THR  62          HG21      THR  62 -13.038   2.564  -7.880
 1295   2HG2  THR  62          HG22      THR  62 -14.165   2.322  -6.545
 1296   3HG2  THR  62          HG23      THR  62 -13.104   3.730  -6.560
 1297    H    LEU  63           HN       LEU  63 -17.926   3.072  -7.521
 1298    HA   LEU  63           HA       LEU  63 -17.804   1.402  -5.381
 1299   1HB   LEU  63          HB2       LEU  63 -19.663   2.884  -5.949
 1300   2HB   LEU  63          HB1       LEU  63 -20.140   1.816  -7.248
 1301    HG   LEU  63           HG       LEU  63 -20.028   0.729  -4.485
 1302   1HD1  LEU  63          HD11      LEU  63 -22.334   1.487  -4.084
 1303   2HD1  LEU  63          HD12      LEU  63 -22.244   2.476  -5.542
 1304   3HD1  LEU  63          HD13      LEU  63 -21.192   2.828  -4.171
 1305   1HD2  LEU  63          HD21      LEU  63 -21.885   0.290  -6.821
 1306   2HD2  LEU  63          HD22      LEU  63 -21.905  -0.603  -5.301
 1307   3HD2  LEU  63          HD23      LEU  63 -20.522  -0.739  -6.385
 1308    H    ASP  64           HN       ASP  64 -19.014   0.478  -8.599
 1309    HA   ASP  64           HA       ASP  64 -19.194  -2.281  -8.011
 1310   1HB   ASP  64          HB2       ASP  64 -20.501  -1.349  -9.807
 1311   2HB   ASP  64          HB1       ASP  64 -19.053  -0.780 -10.639
 1312    H    VAL  65           HN       VAL  65 -16.591  -0.234  -9.014
 1313    HA   VAL  65           HA       VAL  65 -14.906  -2.360  -9.986
 1314    HB   VAL  65           HB       VAL  65 -14.228   0.512  -9.339
 1315   1HG1  VAL  65          HG11      VAL  65 -12.681  -1.571 -10.880
 1316   2HG1  VAL  65          HG12      VAL  65 -12.243  -0.881  -9.317
 1317   3HG1  VAL  65          HG13      VAL  65 -12.253   0.136 -10.758
 1318   1HG2  VAL  65          HG21      VAL  65 -14.387   0.877 -11.751
 1319   2HG2  VAL  65          HG22      VAL  65 -15.921   0.310 -11.089
 1320   3HG2  VAL  65          HG23      VAL  65 -14.878  -0.801 -11.977
 1321    H    ASN  66           HN       ASN  66 -14.318   0.007  -7.397
 1322    HA   ASN  66           HA       ASN  66 -12.374  -1.681  -6.132
 1323   1HB   ASN  66          HB2       ASN  66 -13.621   0.929  -5.265
 1324   2HB   ASN  66          HB1       ASN  66 -12.256   0.140  -4.470
 1325   1HD2  ASN  66          HD21      ASN  66 -10.894   1.880  -4.848
 1326   2HD2  ASN  66          HD22      ASN  66 -10.252   2.224  -6.415
 1327    H    GLN  67           HN       GLN  67 -14.886  -3.070  -6.056
 1328    HA   GLN  67           HA       GLN  67 -15.912  -2.553  -3.427
 1329   1HB   GLN  67          HB2       GLN  67 -17.234  -4.664  -3.802
 1330   2HB   GLN  67          HB1       GLN  67 -17.606  -3.273  -4.771
 1331   1HG   GLN  67          HG2       GLN  67 -17.729  -5.441  -5.853
 1332   2HG   GLN  67          HG1       GLN  67 -16.729  -4.258  -6.697
 1333   1HE2  GLN  67          HE21      GLN  67 -14.650  -4.805  -7.156
 1334   2HE2  GLN  67          HE22      GLN  67 -13.902  -6.296  -6.679
 1335    H    ASP  68           HN       ASP  68 -13.789  -4.857  -4.884
 1336    HA   ASP  68           HA       ASP  68 -13.654  -6.403  -2.461
 1337   1HB   ASP  68          HB2       ASP  68 -12.704  -6.736  -5.241
 1338   2HB   ASP  68          HB1       ASP  68 -11.754  -7.494  -3.969
 1339    H    SER  69           HN       SER  69 -12.609  -3.469  -3.014
 1340    HA   SER  69           HA       SER  69  -9.902  -3.258  -2.999
 1341   1HB   SER  69          HB2       SER  69 -10.173  -1.308  -1.431
 1342   2HB   SER  69          HB1       SER  69 -11.326  -1.286  -2.763
 1343    HG   SER  69           HG       SER  69 -12.846  -2.247  -1.290
 1344    H    GLU  70           HN       GLU  70 -11.954  -4.486  -0.506
 1345    HA   GLU  70           HA       GLU  70  -9.613  -5.378   1.031
 1346   1HB   GLU  70          HB2       GLU  70 -10.825  -4.351   2.695
 1347   2HB   GLU  70          HB1       GLU  70 -12.321  -4.553   1.813
 1348   1HG   GLU  70          HG2       GLU  70 -12.456  -5.895   3.808
 1349   2HG   GLU  70          HG1       GLU  70 -12.334  -6.973   2.433
 1350    H    LEU  71           HN       LEU  71  -9.615  -7.590   1.593
 1351    HA   LEU  71           HA       LEU  71 -11.768  -9.156   0.486
 1352   1HB   LEU  71          HB2       LEU  71 -10.431  -8.958  -1.306
 1353   2HB   LEU  71          HB1       LEU  71  -8.962  -8.940  -0.363
 1354    HG   LEU  71           HG       LEU  71  -9.227 -10.833  -1.712
 1355   1HD1  LEU  71          HD11      LEU  71  -7.917 -11.925  -0.376
 1356   2HD1  LEU  71          HD12      LEU  71  -9.286 -12.363   0.617
 1357   3HD1  LEU  71          HD13      LEU  71  -8.442 -10.861   0.921
 1358   1HD2  LEU  71          HD21      LEU  71 -11.697 -11.213  -0.242
 1359   2HD2  LEU  71          HD22      LEU  71 -10.901 -12.550  -1.026
 1360   3HD2  LEU  71          HD23      LEU  71 -11.440 -11.184  -1.962
 1361    H    ARG  72           HN       ARG  72 -11.991 -11.240   1.362
 1362    HA   ARG  72           HA       ARG  72 -10.255 -11.900   3.623
 1363   1HB   ARG  72          HB2       ARG  72 -12.886 -13.235   3.287
 1364   2HB   ARG  72          HB1       ARG  72 -12.061 -12.758   4.762
 1365   1HG   ARG  72          HG2       ARG  72 -13.766 -11.115   2.938
 1366   2HG   ARG  72          HG1       ARG  72 -13.960 -11.407   4.662
 1367   1HD   ARG  72          HD2       ARG  72 -12.259  -9.461   3.222
 1368   2HD   ARG  72          HD1       ARG  72 -13.135  -9.299   4.741
 1369    HE   ARG  72           HE       ARG  72 -10.415 -10.157   4.410
 1370   1HH1  ARG  72          HH11      ARG  72 -13.222 -10.251   6.469
 1371   2HH1  ARG  72          HH12      ARG  72 -12.315 -10.561   7.911
 1372   1HH2  ARG  72          HH21      ARG  72  -9.210 -10.569   6.304
 1373   2HH2  ARG  72          HH22      ARG  72 -10.033 -10.744   7.818
 1374    H    PHE  73           HN       PHE  73 -11.682 -12.962   0.626
 1375    HA   PHE  73           HA       PHE  73 -10.307 -15.487   0.793
 1376   1HB   PHE  73          HB2       PHE  73 -11.734 -16.339  -0.868
 1377   2HB   PHE  73          HB1       PHE  73 -12.704 -15.346   0.169
 1378    HD1  PHE  73           HD1      PHE  73 -13.027 -12.833  -0.754
 1379    HD2  PHE  73           HD2      PHE  73 -12.178 -16.282  -3.081
 1380    HE1  PHE  73           HE1      PHE  73 -13.989 -11.735  -2.692
 1381    HE2  PHE  73           HE2      PHE  73 -13.158 -15.186  -5.050
 1382    HZ   PHE  73           HZ       PHE  73 -14.078 -12.911  -4.863
 1383    H    SER  74           HN       SER  74 -10.603 -13.901  -2.426
 1384    HA   SER  74           HA       SER  74  -7.673 -14.070  -2.469
 1385   1HB   SER  74          HB2       SER  74  -8.030 -14.595  -5.026
 1386   2HB   SER  74          HB1       SER  74  -8.003 -15.878  -3.818
 1387    HG   SER  74           HG       SER  74 -10.168 -16.070  -3.951
 1388    H    GLU  75           HN       GLU  75 -10.267 -12.155  -3.109
 1389    HA   GLU  75           HA       GLU  75  -9.276 -10.556  -5.224
 1390   1HB   GLU  75          HB2       GLU  75 -11.167  -9.694  -3.055
 1391   2HB   GLU  75          HB1       GLU  75 -11.055  -9.063  -4.693
 1392   1HG   GLU  75          HG2       GLU  75 -11.798 -11.884  -4.114
 1393   2HG   GLU  75          HG1       GLU  75 -12.988 -10.589  -4.136
 1394    H    TYR  76           HN       TYR  76  -7.532 -10.883  -2.600
 1395    HA   TYR  76           HA       TYR  76  -7.427  -8.445  -1.357
 1396   1HB   TYR  76          HB2       TYR  76  -5.784 -10.847  -1.406
 1397   2HB   TYR  76          HB1       TYR  76  -4.856  -9.386  -1.085
 1398    HD1  TYR  76           HD1      TYR  76  -7.239  -8.010   0.397
 1399    HD2  TYR  76           HD2      TYR  76  -5.396 -11.816   0.725
 1400    HE1  TYR  76           HE1      TYR  76  -7.989  -8.151   2.682
 1401    HE2  TYR  76           HE2      TYR  76  -6.154 -11.981   3.044
 1402    HH   TYR  76           HH       TYR  76  -8.426  -9.839   4.398
 1403    H    TRP  77           HN       TRP  77  -6.131  -9.512  -4.334
 1404    HA   TRP  77           HA       TRP  77  -4.136  -7.567  -4.787
 1405   1HB   TRP  77          HB2       TRP  77  -4.581  -7.905  -7.177
 1406   2HB   TRP  77          HB1       TRP  77  -4.596  -9.454  -6.340
 1407    HD1  TRP  77           HD1      TRP  77  -7.216  -6.780  -7.346
 1408    HE1  TRP  77           HE1      TRP  77  -9.325  -8.005  -8.110
 1409    HE3  TRP  77           HE3      TRP  77  -5.720 -11.587  -6.511
 1410    HZ2  TRP  77           HZ2      TRP  77 -10.271 -10.670  -8.315
 1411    HZ3  TRP  77           HZ3      TRP  77  -7.287 -13.419  -6.992
 1412    HH2  TRP  77           HH2      TRP  77  -9.515 -12.968  -7.871
 1413    H    ARG  78           HN       ARG  78  -7.564  -7.226  -4.461
 1414    HA   ARG  78           HA       ARG  78  -7.803  -4.855  -5.918
 1415   1HB   ARG  78          HB2       ARG  78  -9.534  -6.225  -3.908
 1416   2HB   ARG  78          HB1       ARG  78  -9.972  -4.629  -4.519
 1417   1HG   ARG  78          HG2       ARG  78  -9.354  -6.945  -6.314
 1418   2HG   ARG  78          HG1       ARG  78 -10.956  -6.613  -5.713
 1419   1HD   ARG  78          HD2       ARG  78 -10.926  -4.419  -6.741
 1420   2HD   ARG  78          HD1       ARG  78  -9.281  -4.704  -7.312
 1421    HE   ARG  78           HE       ARG  78 -10.850  -6.770  -8.292
 1422   1HH1  ARG  78          HH11      ARG  78 -10.643  -3.308  -8.610
 1423   2HH1  ARG  78          HH12      ARG  78 -11.277  -3.290 -10.222
 1424   1HH2  ARG  78          HH21      ARG  78 -11.686  -6.757 -10.413
 1425   2HH2  ARG  78          HH22      ARG  78 -11.870  -5.249 -11.247
 1426    H    LEU  79           HN       LEU  79  -6.638  -5.584  -2.747
 1427    HA   LEU  79           HA       LEU  79  -6.872  -2.919  -1.693
 1428   1HB   LEU  79          HB2       LEU  79  -4.647  -4.579  -0.731
 1429   2HB   LEU  79          HB1       LEU  79  -5.831  -3.697   0.195
 1430    HG   LEU  79           HG       LEU  79  -6.918  -6.147  -1.024
 1431   1HD1  LEU  79          HD11      LEU  79  -5.395  -7.077   1.172
 1432   2HD1  LEU  79          HD12      LEU  79  -4.282  -6.245   0.102
 1433   3HD1  LEU  79          HD13      LEU  79  -5.264  -7.563  -0.512
 1434   1HD2  LEU  79          HD21      LEU  79  -7.773  -4.607   0.906
 1435   2HD2  LEU  79          HD22      LEU  79  -6.653  -5.532   1.895
 1436   3HD2  LEU  79          HD23      LEU  79  -7.958  -6.351   1.040
 1437    H    ILE  80           HN       ILE  80  -4.690  -4.696  -3.675
 1438    HA   ILE  80           HA       ILE  80  -2.293  -3.552  -3.470
 1439    HB   ILE  80           HB       ILE  80  -3.331  -5.268  -5.216
 1440   1HG1  ILE  80          HG12      ILE  80  -1.238  -5.058  -6.533
 1441   2HG1  ILE  80          HG11      ILE  80  -0.934  -3.492  -5.785
 1442   1HG2  ILE  80          HG21      ILE  80  -3.135  -2.740  -6.876
 1443   2HG2  ILE  80          HG22      ILE  80  -4.614  -3.615  -6.491
 1444   3HG2  ILE  80          HG23      ILE  80  -3.380  -4.373  -7.493
 1445   1HD1  ILE  80          HD11      ILE  80   0.304  -5.464  -4.820
 1446   2HD1  ILE  80          HD12      ILE  80  -1.248  -6.011  -4.187
 1447   3HD1  ILE  80          HD13      ILE  80  -0.583  -4.461  -3.672
 1448    H    GLY  81           HN       GLY  81  -4.927  -2.087  -5.407
 1449   1HA   GLY  81          HA2       GLY  81  -3.355   0.302  -5.841
 1450   2HA   GLY  81          HA1       GLY  81  -4.991   0.013  -6.406
 1451    H    GLU  82           HN       GLU  82  -5.216  -0.760  -3.247
 1452    HA   GLU  82           HA       GLU  82  -6.453   1.765  -2.608
 1453   1HB   GLU  82          HB2       GLU  82  -6.048  -0.593  -0.850
 1454   2HB   GLU  82          HB1       GLU  82  -7.227   0.688  -0.637
 1455   1HG   GLU  82          HG2       GLU  82  -7.208  -1.304  -2.882
 1456   2HG   GLU  82          HG1       GLU  82  -8.252  -1.370  -1.466
 1457    H    LEU  83           HN       LEU  83  -3.962  -0.259  -1.092
 1458    HA   LEU  83           HA       LEU  83  -3.202   1.495   0.905
 1459   1HB   LEU  83          HB2       LEU  83  -1.644  -0.565  -0.640
 1460   2HB   LEU  83          HB1       LEU  83  -0.905   0.377   0.646
 1461    HG   LEU  83           HG       LEU  83  -2.725  -0.499   2.172
 1462   1HD1  LEU  83          HD11      LEU  83  -3.179  -2.294  -0.202
 1463   2HD1  LEU  83          HD12      LEU  83  -4.344  -1.215   0.567
 1464   3HD1  LEU  83          HD13      LEU  83  -3.759  -2.639   1.427
 1465   1HD2  LEU  83          HD21      LEU  83  -1.591  -2.619   2.523
 1466   2HD2  LEU  83          HD22      LEU  83  -0.429  -1.335   2.202
 1467   3HD2  LEU  83          HD23      LEU  83  -0.835  -2.496   0.937
 1468    H    ALA  84           HN       ALA  84  -2.641   1.537  -2.488
 1469    HA   ALA  84           HA       ALA  84  -0.517   3.448  -2.340
 1470   1HB   ALA  84          HB1       ALA  84  -0.397   2.333  -4.331
 1471   2HB   ALA  84          HB2       ALA  84  -1.300   3.758  -4.848
 1472   3HB   ALA  84          HB3       ALA  84  -2.148   2.252  -4.509
 1473    H    LYS  85           HN       LYS  85  -3.998   3.592  -2.484
 1474    HA   LYS  85           HA       LYS  85  -4.451   6.176  -3.330
 1475   1HB   LYS  85          HB2       LYS  85  -5.980   4.190  -2.152
 1476   2HB   LYS  85          HB1       LYS  85  -6.070   5.518  -1.004
 1477   1HG   LYS  85          HG2       LYS  85  -7.876   5.926  -2.375
 1478   2HG   LYS  85          HG1       LYS  85  -6.631   6.949  -3.098
 1479   1HD   LYS  85          HD2       LYS  85  -7.588   5.859  -4.929
 1480   2HD   LYS  85          HD1       LYS  85  -6.131   4.919  -4.598
 1481   1HE   LYS  85          HE2       LYS  85  -7.822   3.591  -3.039
 1482   2HE   LYS  85          HE1       LYS  85  -8.984   4.214  -4.211
 1483   1HZ   LYS  85          HZ1       LYS  85  -8.172   2.046  -4.872
 1484   2HZ   LYS  85          HZ2       LYS  85  -6.575   2.603  -4.858
 1485   3HZ   LYS  85          HZ3       LYS  85  -7.675   3.219  -5.986
 1486    H    GLU  86           HN       GLU  86  -2.941   5.079  -0.470
 1487    HA   GLU  86           HA       GLU  86  -3.147   7.585   0.921
 1488   1HB   GLU  86          HB2       GLU  86  -1.082   5.495   1.537
 1489   2HB   GLU  86          HB1       GLU  86  -1.919   6.563   2.641
 1490   1HG   GLU  86          HG2       GLU  86  -3.818   5.224   2.681
 1491   2HG   GLU  86          HG1       GLU  86  -3.369   4.372   1.207
 1492    H    VAL  87           HN       VAL  87  -0.574   5.692  -0.572
 1493    HA   VAL  87           HA       VAL  87   1.388   7.721  -0.398
 1494    HB   VAL  87           HB       VAL  87   1.333   5.204  -2.051
 1495   1HG1  VAL  87          HG11      VAL  87   2.896   6.672  -3.064
 1496   2HG1  VAL  87          HG12      VAL  87   3.815   5.535  -2.084
 1497   3HG1  VAL  87          HG13      VAL  87   3.533   7.174  -1.501
 1498   1HG2  VAL  87          HG21      VAL  87   2.833   4.376  -0.261
 1499   2HG2  VAL  87          HG22      VAL  87   1.201   4.734   0.295
 1500   3HG2  VAL  87          HG23      VAL  87   2.513   5.858   0.641
 1501    H    ARG  88           HN       ARG  88  -1.280   7.534  -2.388
 1502    HA   ARG  88           HA       ARG  88  -0.219   8.345  -4.867
 1503   1HB   ARG  88          HB2       ARG  88  -2.592   7.472  -4.200
 1504   2HB   ARG  88          HB1       ARG  88  -2.946   9.178  -3.943
 1505   1HG   ARG  88          HG2       ARG  88  -1.983   7.940  -6.513
 1506   2HG   ARG  88          HG1       ARG  88  -3.630   8.461  -6.160
 1507   1HD   ARG  88          HD2       ARG  88  -2.825  10.765  -5.881
 1508   2HD   ARG  88          HD1       ARG  88  -1.190  10.231  -6.268
 1509    HE   ARG  88           HE       ARG  88  -2.928   9.475  -8.344
 1510   1HH1  ARG  88          HH11      ARG  88  -1.482  12.315  -6.943
 1511   2HH1  ARG  88          HH12      ARG  88  -1.497  13.212  -8.424
 1512   1HH2  ARG  88          HH21      ARG  88  -2.954  10.645 -10.300
 1513   2HH2  ARG  88          HH22      ARG  88  -2.335  12.262 -10.335
 1514    H    LYS  89           HN       LYS  89  -2.159  10.450  -2.717
 1515    HA   LYS  89           HA       LYS  89  -1.173  12.846  -3.854
 1516   1HB   LYS  89          HB2       LYS  89  -2.299  13.977  -2.112
 1517   2HB   LYS  89          HB1       LYS  89  -3.248  12.544  -2.408
 1518   1HG   LYS  89          HG2       LYS  89  -2.339  11.449  -0.382
 1519   2HG   LYS  89          HG1       LYS  89  -1.231  12.815  -0.188
 1520   1HD   LYS  89          HD2       LYS  89  -3.611  14.121  -0.305
 1521   2HD   LYS  89          HD1       LYS  89  -4.031  12.650   0.572
 1522   1HE   LYS  89          HE2       LYS  89  -3.344  14.199   2.217
 1523   2HE   LYS  89          HE1       LYS  89  -1.992  13.087   2.004
 1524   1HZ   LYS  89          HZ1       LYS  89  -1.391  14.982   0.227
 1525   2HZ   LYS  89          HZ2       LYS  89  -0.825  14.970   1.820
 1526   3HZ   LYS  89          HZ3       LYS  89  -2.169  15.909   1.409
 1527    H    GLU  90           HN       GLU  90  -0.376  10.953  -1.096
 1528    HA   GLU  90           HA       GLU  90   1.348  12.522   0.287
 1529   1HB   GLU  90          HB2       GLU  90   1.044   9.593  -0.134
 1530   2HB   GLU  90          HB1       GLU  90   2.327  10.194   0.926
 1531   1HG   GLU  90          HG2       GLU  90  -0.630  10.813   1.174
 1532   2HG   GLU  90          HG1       GLU  90   0.256   9.599   2.129
 1533    H    LYS  91           HN       LYS  91   1.883  11.087  -2.812
 1534    HA   LYS  91           HA       LYS  91   4.676  11.024  -2.810
 1535   1HB   LYS  91          HB2       LYS  91   4.584  10.919  -5.149
 1536   2HB   LYS  91          HB1       LYS  91   3.141  10.091  -4.590
 1537   1HG   LYS  91          HG2       LYS  91   1.866  12.194  -5.027
 1538   2HG   LYS  91          HG1       LYS  91   3.330  12.864  -5.744
 1539   1HD   LYS  91          HD2       LYS  91   3.364  11.045  -7.382
 1540   2HD   LYS  91          HD1       LYS  91   1.896  10.375  -6.668
 1541   1HE   LYS  91          HE2       LYS  91   0.687  12.427  -7.235
 1542   2HE   LYS  91          HE1       LYS  91   2.154  13.094  -7.949
 1543   1HZ   LYS  91          HZ1       LYS  91   2.137  11.313  -9.575
 1544   2HZ   LYS  91          HZ2       LYS  91   0.678  12.169  -9.628
 1545   3HZ   LYS  91          HZ3       LYS  91   0.743  10.652  -8.881
 1546    H    ALA  92           HN       ALA  92   2.425  13.570  -3.761
 1547    HA   ALA  92           HA       ALA  92   4.558  15.467  -4.200
 1548   1HB   ALA  92          HB1       ALA  92   2.802  17.036  -4.769
 1549   2HB   ALA  92          HB2       ALA  92   1.580  15.922  -4.155
 1550   3HB   ALA  92          HB3       ALA  92   2.528  15.492  -5.578
 1551    H    LEU  93           HN       LEU  93   2.256  14.813  -1.599
 1552    HA   LEU  93           HA       LEU  93   2.896  17.274  -0.259
 1553   1HB   LEU  93          HB2       LEU  93   0.714  16.167   0.066
 1554   2HB   LEU  93          HB1       LEU  93   1.538  14.838   0.873
 1555    HG   LEU  93           HG       LEU  93   2.351  17.282   2.106
 1556   1HD1  LEU  93          HD11      LEU  93   0.269  18.216   1.212
 1557   2HD1  LEU  93          HD12      LEU  93   0.238  18.094   2.971
 1558   3HD1  LEU  93          HD13      LEU  93  -0.639  16.921   1.991
 1559   1HD2  LEU  93          HD21      LEU  93   0.649  14.988   3.077
 1560   2HD2  LEU  93          HD22      LEU  93   1.394  16.215   4.100
 1561   3HD2  LEU  93          HD23      LEU  93   2.406  15.108   3.172
 1562    H    GLY  94           HN       GLY  94   4.275  14.121  -0.390
 1563   1HA   GLY  94          HA2       GLY  94   5.480  13.731   2.032
 1564   2HA   GLY  94          HA1       GLY  94   6.288  13.398   0.501
 1565    H    ILE  95           HN       ILE  95   6.418  15.987  -0.480
 1566    HA   ILE  95           HA       ILE  95   8.770  16.872   0.831
 1567    HB   ILE  95           HB       ILE  95   8.439  18.929  -0.684
 1568   1HG1  ILE  95          HG12      ILE  95   6.589  17.022  -2.105
 1569   2HG1  ILE  95          HG11      ILE  95   6.011  18.372  -1.132
 1570   1HG2  ILE  95          HG21      ILE  95   9.953  16.927  -0.883
 1571   2HG2  ILE  95          HG22      ILE  95   9.653  17.887  -2.332
 1572   3HG2  ILE  95          HG23      ILE  95   8.815  16.352  -2.101
 1573   1HD1  ILE  95          HD11      ILE  95   7.749  18.569  -3.580
 1574   2HD1  ILE  95          HD12      ILE  95   7.181  19.926  -2.607
 1575   3HD1  ILE  95          HD13      ILE  95   6.026  18.930  -3.490
 1576    H    ARG  96           HN       ARG  96   7.552  16.953   2.918
 1577    HA   ARG  96           HA       ARG  96   5.985  19.341   3.359
 1578   1HB   ARG  96          HB2       ARG  96   7.004  17.142   5.153
 1579   2HB   ARG  96          HB1       ARG  96   6.300  18.610   5.823
 1580   1HG   ARG  96          HG2       ARG  96   4.822  16.993   3.789
 1581   2HG   ARG  96          HG1       ARG  96   4.794  16.560   5.501
 1582   1HD   ARG  96          HD2       ARG  96   4.098  19.299   4.470
 1583   2HD   ARG  96          HD1       ARG  96   2.901  18.030   4.723
 1584    HE   ARG  96           HE       ARG  96   4.410  18.383   7.072
 1585   1HH1  ARG  96          HH11      ARG  96   1.993  20.001   5.153
 1586   2HH1  ARG  96          HH12      ARG  96   1.313  20.855   6.497
 1587   1HH2  ARG  96          HH21      ARG  96   3.519  19.504   8.847
 1588   2HH2  ARG  96          HH22      ARG  96   2.180  20.573   8.596
 1589    H    LYS  97           HN       LYS  97   9.219  18.145   3.772
 1590    HA   LYS  97           HA       LYS  97  10.205  20.423   5.142
 1591   1HB   LYS  97          HB2       LYS  97  12.450  19.489   4.501
 1592   2HB   LYS  97          HB1       LYS  97  11.418  18.364   5.375
 1593   1HG   LYS  97          HG2       LYS  97  11.857  16.908   3.750
 1594   2HG   LYS  97          HG1       LYS  97  10.795  17.883   2.735
 1595   1HD   LYS  97          HD2       LYS  97  13.109  19.269   2.526
 1596   2HD   LYS  97          HD1       LYS  97  13.715  17.620   2.710
 1597   1HE   LYS  97          HE2       LYS  97  11.783  17.135   0.966
 1598   2HE   LYS  97          HE1       LYS  97  12.092  18.818   0.539
 1599   1HZ   LYS  97          HZ1       LYS  97  14.413  18.282   0.182
 1600   2HZ   LYS  97          HZ2       LYS  97  13.439  17.297  -0.786
 1601   3HZ   LYS  97          HZ3       LYS  97  14.145  16.670   0.618
 1602    H    LYS  98           HN       LYS  98   9.311  22.095   3.887
 1603    HA   LYS  98           HA       LYS  98  10.561  22.479   1.253
 1604   1HB   LYS  98          HB2       LYS  98   8.030  23.694   2.377
 1605   2HB   LYS  98          HB1       LYS  98   8.681  23.999   0.773
 1606   1HG   LYS  98          HG2       LYS  98   7.901  21.243   1.709
 1607   2HG   LYS  98          HG1       LYS  98   6.775  22.350   0.919
 1608   1HD   LYS  98          HD2       LYS  98   9.385  21.380  -0.242
 1609   2HD   LYS  98          HD1       LYS  98   7.787  20.753  -0.650
 1610   1HE   LYS  98          HE2       LYS  98   8.839  23.532  -1.134
 1611   2HE   LYS  98          HE1       LYS  98   8.443  22.309  -2.340
 1612   1HZ   LYS  98          HZ1       LYS  98   6.121  22.443  -1.634
 1613   2HZ   LYS  98          HZ2       LYS  98   6.689  23.937  -2.189
 1614   3HZ   LYS  98          HZ3       LYS  98   6.519  23.662  -0.529
  Start of MODEL   20
    1   1H    MET   1          HT1       MET   1 -18.539   3.665  -1.108
    2   2H    MET   1          HT2       MET   1 -18.942   3.581  -2.747
    3   3H    MET   1          HT3       MET   1 -20.011   4.300  -1.654
    4    HA   MET   1           HA       MET   1 -19.025   6.085  -2.708
    5   1HB   MET   1          HB2       MET   1 -17.989   5.459  -0.002
    6   2HB   MET   1          HB1       MET   1 -17.128   6.692  -0.890
    7   1HG   MET   1          HG2       MET   1 -19.055   7.441   0.654
    8   2HG   MET   1          HG1       MET   1 -18.912   8.154  -0.948
    9   1HE   MET   1          HE1       MET   1 -21.205   9.044  -0.307
   10   2HE   MET   1          HE2       MET   1 -22.059   7.982   0.807
   11   3HE   MET   1          HE3       MET   1 -22.685   8.240  -0.820
   12    H    ALA   2           HN       ALA   2 -16.805   7.294  -2.947
   13    HA   ALA   2           HA       ALA   2 -14.986   5.374  -4.224
   14   1HB   ALA   2          HB1       ALA   2 -15.545   8.222  -5.010
   15   2HB   ALA   2          HB2       ALA   2 -16.086   6.771  -5.850
   16   3HB   ALA   2          HB3       ALA   2 -14.371   7.159  -5.786
   17    H    ALA   3           HN       ALA   3 -12.984   5.213  -3.473
   18    HA   ALA   3           HA       ALA   3 -12.044   6.947  -1.411
   19   1HB   ALA   3          HB1       ALA   3  -9.999   5.643  -1.490
   20   2HB   ALA   3          HB2       ALA   3 -10.464   4.949  -3.043
   21   3HB   ALA   3          HB3       ALA   3 -11.383   4.554  -1.591
   22    H    GLU   4           HN       GLU   4 -11.949   9.027  -2.141
   23    HA   GLU   4           HA       GLU   4 -10.935   9.781  -4.672
   24   1HB   GLU   4          HB2       GLU   4 -11.468  11.346  -2.174
   25   2HB   GLU   4          HB1       GLU   4 -10.864  12.074  -3.650
   26   1HG   GLU   4          HG2       GLU   4 -13.538  10.866  -3.102
   27   2HG   GLU   4          HG1       GLU   4 -13.111  12.453  -3.748
   28    H    THR   5           HN       THR   5  -9.565  11.230  -1.773
   29    HA   THR   5           HA       THR   5  -6.942  11.073  -2.975
   30    HB   THR   5           HB       THR   5  -7.949  12.479  -0.509
   31    HG1  THR   5           HG1      THR   5  -8.413  13.236  -2.751
   32   1HG2  THR   5          HG21      THR   5  -5.492  11.734  -0.377
   33   2HG2  THR   5          HG22      THR   5  -5.856  13.435  -0.114
   34   3HG2  THR   5          HG23      THR   5  -5.216  12.906  -1.666
   35    H    LEU   6           HN       LEU   6  -7.337  10.922   0.508
   36    HA   LEU   6           HA       LEU   6  -5.679   8.502   0.450
   37   1HB   LEU   6          HB2       LEU   6  -6.058  10.582   2.603
   38   2HB   LEU   6          HB1       LEU   6  -5.042   9.170   2.747
   39    HG   LEU   6           HG       LEU   6  -4.207  10.540   0.416
   40   1HD1  LEU   6          HD11      LEU   6  -4.207  12.382   2.789
   41   2HD1  LEU   6          HD12      LEU   6  -5.446  12.461   1.539
   42   3HD1  LEU   6          HD13      LEU   6  -3.755  12.737   1.122
   43   1HD2  LEU   6          HD21      LEU   6  -2.653   9.270   1.610
   44   2HD2  LEU   6          HD22      LEU   6  -3.067  10.038   3.142
   45   3HD2  LEU   6          HD23      LEU   6  -2.174  10.939   1.919
   46    H    THR   7           HN       THR   7  -6.860   6.691   0.752
   47    HA   THR   7           HA       THR   7  -9.215   6.788   2.384
   48    HB   THR   7           HB       THR   7  -8.338   4.079   1.980
   49    HG1  THR   7           HG1      THR   7  -8.523   4.202  -0.398
   50   1HG2  THR   7          HG21      THR   7 -10.628   5.340   0.522
   51   2HG2  THR   7          HG22      THR   7 -10.702   5.014   2.254
   52   3HG2  THR   7          HG23      THR   7 -10.456   3.691   1.124
   53    H    GLU   8           HN       GLU   8  -9.399   5.045   4.130
   54    HA   GLU   8           HA       GLU   8  -7.952   5.564   6.317
   55   1HB   GLU   8          HB2       GLU   8  -8.743   2.740   5.647
   56   2HB   GLU   8          HB1       GLU   8  -8.508   3.439   7.241
   57   1HG   GLU   8          HG2       GLU   8 -10.686   4.136   5.294
   58   2HG   GLU   8          HG1       GLU   8 -10.854   3.190   6.775
   59    H    LEU   9           HN       LEU   9  -6.737   3.699   3.618
   60    HA   LEU   9           HA       LEU   9  -4.702   2.266   4.893
   61   1HB   LEU   9          HB2       LEU   9  -4.179   3.394   2.230
   62   2HB   LEU   9          HB1       LEU   9  -3.924   1.759   2.799
   63    HG   LEU   9           HG       LEU   9  -6.662   1.978   2.752
   64   1HD1  LEU   9          HD11      LEU   9  -5.552   3.444   0.377
   65   2HD1  LEU   9          HD12      LEU   9  -6.431   4.183   1.709
   66   3HD1  LEU   9          HD13      LEU   9  -7.240   3.021   0.656
   67   1HD2  LEU   9          HD21      LEU   9  -6.291   0.122   1.613
   68   2HD2  LEU   9          HD22      LEU   9  -4.611   0.583   1.350
   69   3HD2  LEU   9          HD23      LEU   9  -5.854   1.080   0.211
   70    H    GLU  10           HN       GLU  10  -4.946   5.643   4.050
   71    HA   GLU  10           HA       GLU  10  -2.252   6.345   3.921
   72   1HB   GLU  10          HB2       GLU  10  -3.088   8.559   4.967
   73   2HB   GLU  10          HB1       GLU  10  -3.713   8.069   3.399
   74   1HG   GLU  10          HG2       GLU  10  -5.779   8.092   4.153
   75   2HG   GLU  10          HG1       GLU  10  -5.357   6.985   5.457
   76    H    ALA  11           HN       ALA  11  -4.326   5.561   6.614
   77    HA   ALA  11           HA       ALA  11  -2.540   6.355   8.687
   78   1HB   ALA  11          HB1       ALA  11  -3.938   5.014  10.156
   79   2HB   ALA  11          HB2       ALA  11  -4.694   4.235   8.767
   80   3HB   ALA  11          HB3       ALA  11  -4.957   5.951   9.065
   81    H    ALA  12           HN       ALA  12  -3.060   3.505   6.754
   82    HA   ALA  12           HA       ALA  12  -1.280   1.787   8.125
   83   1HB   ALA  12          HB1       ALA  12  -3.041   1.019   6.537
   84   2HB   ALA  12          HB2       ALA  12  -1.446   0.350   6.198
   85   3HB   ALA  12          HB3       ALA  12  -2.074   1.672   5.214
   86    H    ILE  13           HN       ILE  13  -0.919   4.303   5.739
   87    HA   ILE  13           HA       ILE  13   1.554   3.690   4.685
   88    HB   ILE  13           HB       ILE  13  -0.090   5.739   4.273
   89   1HG1  ILE  13          HG12      ILE  13   1.809   4.923   2.858
   90   2HG1  ILE  13          HG11      ILE  13   1.559   6.666   2.795
   91   1HG2  ILE  13          HG21      ILE  13   0.516   7.792   5.133
   92   2HG2  ILE  13          HG22      ILE  13   2.137   7.250   5.564
   93   3HG2  ILE  13          HG23      ILE  13   0.753   6.738   6.527
   94   1HD1  ILE  13          HD11      ILE  13   3.701   5.168   4.279
   95   2HD1  ILE  13          HD12      ILE  13   3.393   6.892   4.481
   96   3HD1  ILE  13          HD13      ILE  13   3.892   6.264   2.910
   97    H    GLU  14           HN       GLU  14   0.644   4.795   7.826
   98    HA   GLU  14           HA       GLU  14   3.080   5.796   8.785
   99   1HB   GLU  14          HB2       GLU  14   0.785   4.509  10.263
  100   2HB   GLU  14          HB1       GLU  14   2.101   5.389  11.029
  101   1HG   GLU  14          HG2       GLU  14   1.445   7.414   9.840
  102   2HG   GLU  14          HG1       GLU  14   0.132   6.534   9.060
  103    H    THR  15           HN       THR  15   1.702   2.509   8.848
  104    HA   THR  15           HA       THR  15   3.767   1.374  10.444
  105    HB   THR  15           HB       THR  15   2.200  -0.102   8.326
  106    HG1  THR  15           HG1      THR  15   0.814  -0.525  10.314
  107   1HG2  THR  15          HG21      THR  15   3.369  -0.994  10.965
  108   2HG2  THR  15          HG22      THR  15   4.044  -1.331   9.372
  109   3HG2  THR  15          HG23      THR  15   2.482  -2.010   9.829
  110    H    VAL  16           HN       VAL  16   3.156   1.290   6.985
  111    HA   VAL  16           HA       VAL  16   5.525   0.009   6.214
  112    HB   VAL  16           HB       VAL  16   3.545   0.080   4.816
  113   1HG1  VAL  16          HG11      VAL  16   2.727   2.286   5.357
  114   2HG1  VAL  16          HG12      VAL  16   2.951   2.154   3.613
  115   3HG1  VAL  16          HG13      VAL  16   4.129   3.032   4.589
  116   1HG2  VAL  16          HG21      VAL  16   4.669   0.832   2.678
  117   2HG2  VAL  16          HG22      VAL  16   5.553  -0.350   3.643
  118   3HG2  VAL  16          HG23      VAL  16   6.025   1.347   3.679
  119    H    VAL  17           HN       VAL  17   4.795   3.405   6.757
  120    HA   VAL  17           HA       VAL  17   7.180   4.294   5.434
  121    HB   VAL  17           HB       VAL  17   5.111   5.677   5.527
  122   1HG1  VAL  17          HG11      VAL  17   4.460   6.825   7.477
  123   2HG1  VAL  17          HG12      VAL  17   5.929   6.362   8.334
  124   3HG1  VAL  17          HG13      VAL  17   4.703   5.151   7.971
  125   1HG2  VAL  17          HG21      VAL  17   7.248   6.666   4.935
  126   2HG2  VAL  17          HG22      VAL  17   7.619   6.926   6.640
  127   3HG2  VAL  17          HG23      VAL  17   6.289   7.803   5.885
  128    H    SER  18           HN       SER  18   6.160   3.767   8.765
  129    HA   SER  18           HA       SER  18   8.568   4.907   9.856
  130   1HB   SER  18          HB2       SER  18   6.372   3.313  11.194
  131   2HB   SER  18          HB1       SER  18   7.667   4.167  12.033
  132    HG   SER  18           HG       SER  18   6.812   6.084  11.427
  133    H    THR  19           HN       THR  19   7.643   1.801   8.729
  134    HA   THR  19           HA       THR  19   9.629   0.431  10.318
  135    HB   THR  19           HB       THR  19   8.985  -1.595   9.068
  136    HG1  THR  19           HG1      THR  19   7.351   0.251   7.650
  137   1HG2  THR  19          HG21      THR  19   6.887   0.092  10.386
  138   2HG2  THR  19          HG22      THR  19   7.727  -1.329  11.007
  139   3HG2  THR  19          HG23      THR  19   6.493  -1.510   9.761
  140    H    PHE  20           HN       PHE  20   9.141   0.239   6.859
  141    HA   PHE  20           HA       PHE  20  11.923  -0.343   6.405
  142   1HB   PHE  20          HB2       PHE  20  10.397  -1.761   5.288
  143   2HB   PHE  20          HB1       PHE  20   9.441  -0.406   4.711
  144    HD1  PHE  20           HD1      PHE  20   9.444  -0.783   2.418
  145    HD2  PHE  20           HD2      PHE  20  13.115  -0.770   4.574
  146    HE1  PHE  20           HE1      PHE  20  10.682  -0.806   0.303
  147    HE2  PHE  20           HE2      PHE  20  14.364  -0.788   2.454
  148    HZ   PHE  20           HZ       PHE  20  13.134  -0.805   0.322
  149    H    PHE  21           HN       PHE  21   9.627   2.182   5.604
  150    HA   PHE  21           HA       PHE  21  11.386   3.473   3.816
  151   1HB   PHE  21          HB2       PHE  21   8.974   4.592   5.223
  152   2HB   PHE  21          HB1       PHE  21   9.793   5.333   3.855
  153    HD1  PHE  21           HD1      PHE  21  10.047   2.013   3.086
  154    HD2  PHE  21           HD2      PHE  21   7.062   5.050   3.406
  155    HE1  PHE  21           HE1      PHE  21   8.574   0.755   1.552
  156    HE2  PHE  21           HE2      PHE  21   5.601   3.779   1.890
  157    HZ   PHE  21           HZ       PHE  21   6.365   1.657   0.949
  158    H    THR  22           HN       THR  22  11.517   3.177   7.126
  159    HA   THR  22           HA       THR  22  12.565   5.833   7.615
  160    HB   THR  22           HB       THR  22  13.149   5.059   9.822
  161    HG1  THR  22           HG1      THR  22  13.744   2.953   9.131
  162   1HG2  THR  22          HG21      THR  22  10.427   4.138   8.929
  163   2HG2  THR  22          HG22      THR  22  10.861   5.793   9.343
  164   3HG2  THR  22          HG23      THR  22  10.890   4.544  10.583
  165    H    PHE  23           HN       PHE  23  13.974   3.347   5.934
  166    HA   PHE  23           HA       PHE  23  16.519   3.505   7.255
  167   1HB   PHE  23          HB2       PHE  23  17.283   1.794   5.979
  168   2HB   PHE  23          HB1       PHE  23  15.562   1.492   5.945
  169    HD1  PHE  23           HD1      PHE  23  14.515   1.080   3.938
  170    HD2  PHE  23           HD2      PHE  23  18.290   3.056   3.929
  171    HE1  PHE  23           HE1      PHE  23  14.617   0.927   1.489
  172    HE2  PHE  23           HE2      PHE  23  18.369   2.916   1.494
  173    HZ   PHE  23           HZ       PHE  23  16.536   1.834   0.282
  174    H    ALA  24           HN       ALA  24  15.191   5.899   5.730
  175    HA   ALA  24           HA       ALA  24  17.130   6.804   3.872
  176   1HB   ALA  24          HB1       ALA  24  15.456   8.282   3.637
  177   2HB   ALA  24          HB2       ALA  24  16.142   9.105   5.031
  178   3HB   ALA  24          HB3       ALA  24  14.832   7.953   5.250
  179    H    GLY  25           HN       GLY  25  17.012   6.627   7.315
  180   1HA   GLY  25          HA2       GLY  25  18.697   8.557   8.209
  181   2HA   GLY  25          HA1       GLY  25  18.716   6.888   8.824
  182    H    ARG  26           HN       ARG  26  19.460   5.828   6.207
  183    HA   ARG  26           HA       ARG  26  22.204   5.664   6.329
  184   1HB   ARG  26          HB2       ARG  26  20.873   4.105   5.037
  185   2HB   ARG  26          HB1       ARG  26  20.319   5.392   3.968
  186   1HG   ARG  26          HG2       ARG  26  21.930   4.445   2.666
  187   2HG   ARG  26          HG1       ARG  26  22.904   5.648   3.508
  188   1HD   ARG  26          HD2       ARG  26  22.587   2.816   4.470
  189   2HD   ARG  26          HD1       ARG  26  23.886   3.328   3.390
  190    HE   ARG  26           HE       ARG  26  23.890   5.027   5.603
  191   1HH1  ARG  26          HH11      ARG  26  24.458   1.672   4.870
  192   2HH1  ARG  26          HH12      ARG  26  25.595   1.449   6.157
  193   1HH2  ARG  26          HH21      ARG  26  25.386   4.746   7.301
  194   2HH2  ARG  26          HH22      ARG  26  26.122   3.197   7.540
  195    H    GLU  27           HN       GLU  27  20.206   7.736   4.250
  196    HA   GLU  27           HA       GLU  27  22.540   9.202   3.342
  197   1HB   GLU  27          HB2       GLU  27  19.610   9.598   2.702
  198   2HB   GLU  27          HB1       GLU  27  20.953  10.407   1.905
  199   1HG   GLU  27          HG2       GLU  27  20.389   7.450   1.868
  200   2HG   GLU  27          HG1       GLU  27  20.094   8.587   0.552
  201    H    GLY  28           HN       GLY  28  22.652  11.534   3.489
  202   1HA   GLY  28          HA2       GLY  28  22.369  12.472   6.117
  203   2HA   GLY  28          HA1       GLY  28  22.736  13.466   4.719
  204    H    ARG  29           HN       ARG  29  21.047  14.461   3.581
  205    HA   ARG  29           HA       ARG  29  19.175  15.775   4.993
  206   1HB   ARG  29          HB2       ARG  29  19.612  16.403   2.727
  207   2HB   ARG  29          HB1       ARG  29  19.014  14.865   2.122
  208   1HG   ARG  29          HG2       ARG  29  16.754  15.453   2.811
  209   2HG   ARG  29          HG1       ARG  29  17.343  16.980   3.470
  210   1HD   ARG  29          HD2       ARG  29  17.644  16.176   0.583
  211   2HD   ARG  29          HD1       ARG  29  16.283  17.117   1.194
  212    HE   ARG  29           HE       ARG  29  18.639  18.387   1.987
  213   1HH1  ARG  29          HH11      ARG  29  16.907  17.637  -0.938
  214   2HH1  ARG  29          HH12      ARG  29  17.492  19.024  -1.795
  215   1HH2  ARG  29          HH21      ARG  29  19.414  20.219   0.871
  216   2HH2  ARG  29          HH22      ARG  29  18.917  20.493  -0.766
  217    H    LYS  30           HN       LYS  30  16.793  15.685   4.971
  218    HA   LYS  30           HA       LYS  30  15.884  12.969   5.584
  219   1HB   LYS  30          HB2       LYS  30  14.472  15.583   6.144
  220   2HB   LYS  30          HB1       LYS  30  14.081  14.003   6.806
  221   1HG   LYS  30          HG2       LYS  30  16.190  13.981   8.028
  222   2HG   LYS  30          HG1       LYS  30  16.598  15.561   7.353
  223   1HD   LYS  30          HD2       LYS  30  15.699  15.743   9.631
  224   2HD   LYS  30          HD1       LYS  30  14.664  16.549   8.450
  225   1HE   LYS  30          HE2       LYS  30  13.178  14.609   8.424
  226   2HE   LYS  30          HE1       LYS  30  14.219  13.791   9.588
  227   1HZ   LYS  30          HZ1       LYS  30  12.750  16.326  10.074
  228   2HZ   LYS  30          HZ2       LYS  30  13.736  15.527  11.193
  229   3HZ   LYS  30          HZ3       LYS  30  12.304  14.802  10.659
  230    H    GLY  31           HN       GLY  31  16.114  13.030   3.040
  231   1HA   GLY  31          HA2       GLY  31  13.555  13.916   1.840
  232   2HA   GLY  31          HA1       GLY  31  15.029  13.563   0.943
  233    H    SER  32           HN       SER  32  15.727  11.338   0.845
  234    HA   SER  32           HA       SER  32  13.633   9.398   1.458
  235   1HB   SER  32          HB2       SER  32  13.110   9.871  -0.789
  236   2HB   SER  32          HB1       SER  32  14.795   9.902  -1.270
  237    HG   SER  32           HG       SER  32  14.706   7.827  -1.548
  238    H    LEU  33           HN       LEU  33  14.300   7.221   1.021
  239    HA   LEU  33           HA       LEU  33  17.115   6.825   1.662
  240   1HB   LEU  33          HB2       LEU  33  15.994   4.357   1.831
  241   2HB   LEU  33          HB1       LEU  33  16.275   5.389   3.196
  242    HG   LEU  33           HG       LEU  33  13.736   5.179   1.671
  243   1HD1  LEU  33          HD11      LEU  33  13.874   3.165   2.760
  244   2HD1  LEU  33          HD12      LEU  33  13.093   4.157   3.950
  245   3HD1  LEU  33          HD13      LEU  33  14.798   3.844   4.092
  246   1HD2  LEU  33          HD21      LEU  33  14.094   6.405   4.365
  247   2HD2  LEU  33          HD22      LEU  33  12.665   6.420   3.352
  248   3HD2  LEU  33          HD23      LEU  33  14.066   7.353   2.897
  249    H    ASN  34           HN       ASN  34  18.106   5.032   0.478
  250    HA   ASN  34           HA       ASN  34  17.080   5.039  -2.243
  251   1HB   ASN  34          HB2       ASN  34  19.826   5.365  -1.145
  252   2HB   ASN  34          HB1       ASN  34  19.648   4.609  -2.734
  253   1HD2  ASN  34          HD21      ASN  34  20.635   6.314  -3.795
  254   2HD2  ASN  34          HD22      ASN  34  19.873   7.852  -3.993
  255    H    ILE  35           HN       ILE  35  19.821   3.048  -1.591
  256    HA   ILE  35           HA       ILE  35  18.168   0.798  -1.095
  257    HB   ILE  35           HB       ILE  35  19.604  -0.363  -3.056
  258   1HG1  ILE  35          HG12      ILE  35  19.503   1.049  -5.045
  259   2HG1  ILE  35          HG11      ILE  35  18.799   2.362  -4.112
  260   1HG2  ILE  35          HG21      ILE  35  17.550  -0.880  -3.788
  261   2HG2  ILE  35          HG22      ILE  35  17.102   0.801  -4.016
  262   3HG2  ILE  35          HG23      ILE  35  16.975   0.064  -2.425
  263   1HD1  ILE  35          HD11      ILE  35  20.944   3.065  -4.186
  264   2HD1  ILE  35          HD12      ILE  35  21.598   1.430  -4.272
  265   3HD1  ILE  35          HD13      ILE  35  21.036   2.074  -2.732
  266    H    ASN  36           HN       ASN  36  20.223   2.161   0.331
  267    HA   ASN  36           HA       ASN  36  22.475   0.356   0.386
  268   1HB   ASN  36          HB2       ASN  36  21.701   2.580   2.278
  269   2HB   ASN  36          HB1       ASN  36  23.257   1.754   2.254
  270   1HD2  ASN  36          HD21      ASN  36  24.691   2.153   0.554
  271   2HD2  ASN  36          HD22      ASN  36  24.541   3.546  -0.458
  272    H    GLU  37           HN       GLU  37  20.085   1.392   2.806
  273    HA   GLU  37           HA       GLU  37  20.520  -1.029   4.266
  274   1HB   GLU  37          HB2       GLU  37  18.194   0.750   4.745
  275   2HB   GLU  37          HB1       GLU  37  19.063  -0.242   5.887
  276   1HG   GLU  37          HG2       GLU  37  21.051   1.241   5.431
  277   2HG   GLU  37          HG1       GLU  37  19.913   2.361   4.676
  278    H    PHE  38           HN       PHE  38  18.432   0.006   1.665
  279    HA   PHE  38           HA       PHE  38  16.325  -1.764   1.886
  280   1HB   PHE  38          HB2       PHE  38  16.796  -0.058   0.010
  281   2HB   PHE  38          HB1       PHE  38  17.864  -1.266  -0.692
  282    HD1  PHE  38           HD1      PHE  38  16.427  -3.728  -0.604
  283    HD2  PHE  38           HD2      PHE  38  14.930   0.188  -1.202
  284    HE1  PHE  38           HE1      PHE  38  14.490  -4.665  -1.787
  285    HE2  PHE  38           HE2      PHE  38  12.983  -0.725  -2.391
  286    HZ   PHE  38           HZ       PHE  38  12.761  -3.160  -2.687
  287    H    LYS  39           HN       LYS  39  19.703  -2.193   1.180
  288    HA   LYS  39           HA       LYS  39  19.756  -4.756   0.231
  289   1HB   LYS  39          HB2       LYS  39  21.819  -3.490   1.990
  290   2HB   LYS  39          HB1       LYS  39  22.074  -4.818   0.866
  291   1HG   LYS  39          HG2       LYS  39  20.875  -2.550  -0.401
  292   2HG   LYS  39          HG1       LYS  39  22.430  -2.144   0.335
  293   1HD   LYS  39          HD2       LYS  39  21.944  -4.441  -1.562
  294   2HD   LYS  39          HD1       LYS  39  22.653  -2.889  -2.009
  295   1HE   LYS  39          HE2       LYS  39  24.473  -3.303  -0.384
  296   2HE   LYS  39          HE1       LYS  39  23.782  -4.892  -0.057
  297   1HZ   LYS  39          HZ1       LYS  39  24.785  -3.957  -2.692
  298   2HZ   LYS  39          HZ2       LYS  39  24.134  -5.484  -2.371
  299   3HZ   LYS  39          HZ3       LYS  39  25.592  -5.019  -1.652
  300    H    GLU  40           HN       GLU  40  19.056  -3.652   3.259
  301    HA   GLU  40           HA       GLU  40  19.550  -6.111   4.665
  302   1HB   GLU  40          HB2       GLU  40  18.914  -4.985   6.600
  303   2HB   GLU  40          HB1       GLU  40  19.530  -3.665   5.612
  304   1HG   GLU  40          HG2       GLU  40  16.985  -3.557   4.873
  305   2HG   GLU  40          HG1       GLU  40  16.763  -4.273   6.468
  306    H    LEU  41           HN       LEU  41  17.245  -5.081   2.486
  307    HA   LEU  41           HA       LEU  41  14.904  -6.214   3.624
  308   1HB   LEU  41          HB2       LEU  41  15.529  -5.424   0.784
  309   2HB   LEU  41          HB1       LEU  41  13.956  -5.956   1.333
  310    HG   LEU  41           HG       LEU  41  15.240  -3.340   1.532
  311   1HD1  LEU  41          HD11      LEU  41  13.338  -3.019   0.442
  312   2HD1  LEU  41          HD12      LEU  41  12.546  -3.104   2.016
  313   3HD1  LEU  41          HD13      LEU  41  12.659  -4.545   1.006
  314   1HD2  LEU  41          HD21      LEU  41  13.641  -4.332   3.896
  315   2HD2  LEU  41          HD22      LEU  41  14.228  -2.688   3.641
  316   3HD2  LEU  41          HD23      LEU  41  15.372  -4.001   3.908
  317    H    ALA  42           HN       ALA  42  15.824  -7.245   0.385
  318    HA   ALA  42           HA       ALA  42  14.873  -9.716   0.432
  319   1HB   ALA  42          HB1       ALA  42  16.826 -10.241  -1.176
  320   2HB   ALA  42          HB2       ALA  42  17.133  -8.514  -1.020
  321   3HB   ALA  42          HB3       ALA  42  15.578  -9.079  -1.615
  322    H    THR  43           HN       THR  43  17.797  -8.642   1.946
  323    HA   THR  43           HA       THR  43  19.028 -11.106   2.384
  324    HB   THR  43           HB       THR  43  20.010  -9.721   4.375
  325    HG1  THR  43           HG1      THR  43  19.119  -7.525   2.845
  326   1HG2  THR  43          HG21      THR  43  20.379  -8.943   1.493
  327   2HG2  THR  43          HG22      THR  43  21.255 -10.207   2.351
  328   3HG2  THR  43          HG23      THR  43  21.486  -8.515   2.794
  329    H    GLN  44           HN       GLN  44  17.241  -9.132   4.763
  330    HA   GLN  44           HA       GLN  44  16.818 -11.390   6.449
  331   1HB   GLN  44          HB2       GLN  44  17.238  -9.314   7.548
  332   2HB   GLN  44          HB1       GLN  44  16.001  -8.501   6.603
  333   1HG   GLN  44          HG2       GLN  44  14.283  -9.849   7.744
  334   2HG   GLN  44          HG1       GLN  44  15.547 -10.582   8.730
  335   1HE2  GLN  44          HE21      GLN  44  16.600  -9.331  10.285
  336   2HE2  GLN  44          HE22      GLN  44  15.934  -7.846  10.865
  337    H    GLN  45           HN       GLN  45  15.182  -9.816   3.934
  338    HA   GLN  45           HA       GLN  45  12.542 -10.706   4.599
  339   1HB   GLN  45          HB2       GLN  45  13.702  -9.412   2.140
  340   2HB   GLN  45          HB1       GLN  45  12.002  -9.816   2.326
  341   1HG   GLN  45          HG2       GLN  45  12.403  -8.394   4.569
  342   2HG   GLN  45          HG1       GLN  45  13.566  -7.628   3.495
  343   1HE2  GLN  45          HE21      GLN  45  11.890  -8.277   1.119
  344   2HE2  GLN  45          HE22      GLN  45  10.584  -7.156   1.151
  345    H    LEU  46           HN       LEU  46  15.142 -11.726   2.382
  346    HA   LEU  46           HA       LEU  46  13.831 -13.318   0.653
  347   1HB   LEU  46          HB2       LEU  46  15.779 -14.980   0.765
  348   2HB   LEU  46          HB1       LEU  46  16.084 -13.341   0.242
  349    HG   LEU  46           HG       LEU  46  16.755 -12.961   2.728
  350   1HD1  LEU  46          HD11      LEU  46  16.017 -15.487   3.116
  351   2HD1  LEU  46          HD12      LEU  46  17.416 -14.822   3.957
  352   3HD1  LEU  46          HD13      LEU  46  17.642 -15.819   2.520
  353   1HD2  LEU  46          HD21      LEU  46  18.469 -14.462   0.753
  354   2HD2  LEU  46          HD22      LEU  46  19.062 -13.551   2.142
  355   3HD2  LEU  46          HD23      LEU  46  18.234 -12.716   0.827
  356    HA   PRO  47           HA       PRO  47  12.834 -16.690   3.640
  357   1HB   PRO  47          HB2       PRO  47  13.323 -16.072   6.362
  358   2HB   PRO  47          HB1       PRO  47  14.271 -17.181   5.368
  359   1HG   PRO  47          HG2       PRO  47  15.190 -14.779   6.450
  360   2HG   PRO  47          HG1       PRO  47  15.948 -15.653   5.106
  361   1HD   PRO  47          HD2       PRO  47  14.041 -13.340   5.026
  362   2HD   PRO  47          HD1       PRO  47  15.479 -13.629   4.033
  363    H    HIS  48           HN       HIS  48  10.932 -15.432   2.928
  364    HA   HIS  48           HA       HIS  48   9.517 -14.113   5.122
  365   1HB   HIS  48          HB2       HIS  48   9.715 -13.494   2.379
  366   2HB   HIS  48          HB1       HIS  48   8.017 -13.902   2.653
  367    HD1  HIS  48           HD1      HIS  48  10.713 -11.515   3.783
  368    HD2  HIS  48           HD2      HIS  48   6.601 -12.016   4.080
  369    HE1  HIS  48           HE1      HIS  48   9.852  -9.390   4.813
  370    HE2  HIS  48           HE2      HIS  48   7.368  -9.735   5.028
  371    H    LEU  49           HN       LEU  49   6.901 -14.573   4.037
  372    HA   LEU  49           HA       LEU  49   6.490 -17.264   4.983
  373   1HB   LEU  49          HB2       LEU  49   4.616 -15.140   3.922
  374   2HB   LEU  49          HB1       LEU  49   4.071 -16.742   4.385
  375    HG   LEU  49           HG       LEU  49   3.620 -15.216   6.185
  376   1HD1  LEU  49          HD11      LEU  49   4.334 -17.470   6.801
  377   2HD1  LEU  49          HD12      LEU  49   4.836 -16.281   8.004
  378   3HD1  LEU  49          HD13      LEU  49   6.011 -16.925   6.855
  379   1HD2  LEU  49          HD21      LEU  49   6.564 -14.564   6.178
  380   2HD2  LEU  49          HD22      LEU  49   5.353 -13.934   7.293
  381   3HD2  LEU  49          HD23      LEU  49   5.283 -13.508   5.583
  382    H    LEU  50           HN       LEU  50   4.962 -15.808   2.147
  383    HA   LEU  50           HA       LEU  50   5.468 -18.186   0.567
  384   1HB   LEU  50          HB2       LEU  50   3.274 -16.994   0.581
  385   2HB   LEU  50          HB1       LEU  50   4.052 -15.635  -0.204
  386    HG   LEU  50           HG       LEU  50   4.495 -16.965  -2.180
  387   1HD1  LEU  50          HD11      LEU  50   3.661 -19.270  -2.358
  388   2HD1  LEU  50          HD12      LEU  50   3.228 -19.232  -0.649
  389   3HD1  LEU  50          HD13      LEU  50   4.919 -19.108  -1.132
  390   1HD2  LEU  50          HD21      LEU  50   2.312 -15.860  -1.975
  391   2HD2  LEU  50          HD22      LEU  50   1.646 -17.328  -1.260
  392   3HD2  LEU  50          HD23      LEU  50   2.219 -17.341  -2.928
  393    H    LYS  51           HN       LYS  51   7.591 -16.037   1.327
  394    HA   LYS  51           HA       LYS  51   8.490 -14.454  -0.622
  395   1HB   LYS  51          HB2       LYS  51   9.563 -15.280   1.638
  396   2HB   LYS  51          HB1       LYS  51  10.508 -16.279   0.565
  397   1HG   LYS  51          HG2       LYS  51  11.505 -14.043   1.261
  398   2HG   LYS  51          HG1       LYS  51  11.542 -14.447  -0.451
  399   1HD   LYS  51          HD2       LYS  51   9.887 -12.890  -0.954
  400   2HD   LYS  51          HD1       LYS  51   9.325 -12.804   0.712
  401   1HE   LYS  51          HE2       LYS  51  11.484 -11.749   1.331
  402   2HE   LYS  51          HE1       LYS  51  11.924 -11.732  -0.370
  403   1HZ   LYS  51          HZ1       LYS  51  10.638  -9.747   0.931
  404   2HZ   LYS  51          HZ2       LYS  51   9.356 -10.550   0.174
  405   3HZ   LYS  51          HZ3       LYS  51  10.646  -9.958  -0.747
  406    H    ASP  52           HN       ASP  52  10.283 -14.662  -2.083
  407    HA   ASP  52           HA       ASP  52  10.227 -17.164  -3.633
  408   1HB   ASP  52          HB2       ASP  52  10.400 -14.310  -4.632
  409   2HB   ASP  52          HB1       ASP  52  10.622 -15.733  -5.650
  410    H    VAL  53           HN       VAL  53  12.049 -16.014  -1.474
  411    HA   VAL  53           HA       VAL  53  14.257 -15.695  -1.029
  412    HB   VAL  53           HB       VAL  53  14.279 -18.065  -1.290
  413   1HG1  VAL  53          HG11      VAL  53  14.777 -19.140  -3.471
  414   2HG1  VAL  53          HG12      VAL  53  14.564 -17.572  -4.248
  415   3HG1  VAL  53          HG13      VAL  53  13.211 -18.334  -3.415
  416   1HG2  VAL  53          HG21      VAL  53  16.624 -16.834  -2.731
  417   2HG2  VAL  53          HG22      VAL  53  16.590 -18.461  -2.054
  418   3HG2  VAL  53          HG23      VAL  53  16.455 -17.060  -0.990
  419    H    GLY  54           HN       GLY  54  14.260 -13.563  -1.907
  420   1HA   GLY  54          HA2       GLY  54  14.813 -12.701  -4.426
  421   2HA   GLY  54          HA1       GLY  54  15.475 -11.926  -2.999
  422    H    SER  55           HN       SER  55  16.242 -13.081  -5.899
  423    HA   SER  55           HA       SER  55  18.725 -14.409  -5.280
  424   1HB   SER  55          HB2       SER  55  19.002 -14.641  -7.628
  425   2HB   SER  55          HB1       SER  55  17.269 -14.814  -7.354
  426    HG   SER  55           HG       SER  55  18.153 -13.294  -9.082
  427    H    LEU  56           HN       LEU  56  20.807 -13.538  -5.594
  428    HA   LEU  56           HA       LEU  56  21.269 -10.981  -4.721
  429   1HB   LEU  56          HB2       LEU  56  22.935 -12.772  -6.476
  430   2HB   LEU  56          HB1       LEU  56  23.521 -11.215  -5.922
  431    HG   LEU  56           HG       LEU  56  22.634 -13.428  -4.074
  432   1HD1  LEU  56          HD11      LEU  56  24.588 -14.127  -5.356
  433   2HD1  LEU  56          HD12      LEU  56  25.011 -13.817  -3.673
  434   3HD1  LEU  56          HD13      LEU  56  25.419 -12.635  -4.916
  435   1HD2  LEU  56          HD21      LEU  56  22.520 -11.084  -3.227
  436   2HD2  LEU  56          HD22      LEU  56  24.255 -10.951  -3.513
  437   3HD2  LEU  56          HD23      LEU  56  23.642 -12.119  -2.342
  438    H    ASP  57           HN       ASP  57  21.194 -12.043  -8.135
  439    HA   ASP  57           HA       ASP  57  21.774  -9.635  -9.348
  440   1HB   ASP  57          HB2       ASP  57  19.993 -11.895 -10.186
  441   2HB   ASP  57          HB1       ASP  57  20.147 -10.436 -11.162
  442    H    GLU  58           HN       GLU  58  18.509 -10.889  -8.683
  443    HA   GLU  58           HA       GLU  58  17.051  -8.651  -9.413
  444   1HB   GLU  58          HB2       GLU  58  16.574 -10.814  -7.376
  445   2HB   GLU  58          HB1       GLU  58  15.429  -9.486  -7.535
  446   1HG   GLU  58          HG2       GLU  58  14.752 -11.463  -8.803
  447   2HG   GLU  58          HG1       GLU  58  15.026 -10.068  -9.844
  448    H    LYS  59           HN       LYS  59  18.418  -9.534  -6.291
  449    HA   LYS  59           HA       LYS  59  17.657  -7.244  -4.907
  450   1HB   LYS  59          HB2       LYS  59  20.069  -8.991  -4.420
  451   2HB   LYS  59          HB1       LYS  59  19.322  -7.914  -3.248
  452   1HG   LYS  59          HG2       LYS  59  17.495  -9.295  -2.941
  453   2HG   LYS  59          HG1       LYS  59  17.678 -10.051  -4.518
  454   1HD   LYS  59          HD2       LYS  59  18.257 -11.562  -2.667
  455   2HD   LYS  59          HD1       LYS  59  19.610 -11.280  -3.756
  456   1HE   LYS  59          HE2       LYS  59  20.458  -9.579  -2.152
  457   2HE   LYS  59          HE1       LYS  59  19.159 -10.039  -1.052
  458   1HZ   LYS  59          HZ1       LYS  59  21.206 -11.925  -2.076
  459   2HZ   LYS  59          HZ2       LYS  59  20.043 -12.234  -0.888
  460   3HZ   LYS  59          HZ3       LYS  59  21.299 -11.145  -0.578
  461    H    MET  60           HN       MET  60  20.202  -7.817  -7.153
  462    HA   MET  60           HA       MET  60  21.692  -5.484  -6.462
  463   1HB   MET  60          HB2       MET  60  21.900  -7.528  -8.650
  464   2HB   MET  60          HB1       MET  60  22.874  -6.062  -8.687
  465   1HG   MET  60          HG2       MET  60  23.888  -6.639  -6.569
  466   2HG   MET  60          HG1       MET  60  22.868  -8.070  -6.446
  467   1HE   MET  60          HE1       MET  60  26.479  -9.507  -7.107
  468   2HE   MET  60          HE2       MET  60  25.112  -9.469  -5.993
  469   3HE   MET  60          HE3       MET  60  26.108  -8.030  -6.218
  470    H    LYS  61           HN       LYS  61  19.772  -6.466  -9.263
  471    HA   LYS  61           HA       LYS  61  19.943  -4.021 -10.650
  472   1HB   LYS  61          HB2       LYS  61  19.344  -5.992 -11.852
  473   2HB   LYS  61          HB1       LYS  61  17.973  -6.293 -10.785
  474   1HG   LYS  61          HG2       LYS  61  16.938  -4.207 -11.634
  475   2HG   LYS  61          HG1       LYS  61  18.257  -4.070 -12.798
  476   1HD   LYS  61          HD2       LYS  61  17.643  -6.293 -13.696
  477   2HD   LYS  61          HD1       LYS  61  16.273  -6.333 -12.585
  478   1HE   LYS  61          HE2       LYS  61  15.529  -5.627 -14.773
  479   2HE   LYS  61          HE1       LYS  61  15.394  -4.285 -13.637
  480   1HZ   LYS  61          HZ1       LYS  61  17.604  -4.677 -15.583
  481   2HZ   LYS  61          HZ2       LYS  61  17.449  -3.378 -14.511
  482   3HZ   LYS  61          HZ3       LYS  61  16.325  -3.583 -15.758
  483    H    THR  62           HN       THR  62  17.021  -5.382  -9.130
  484    HA   THR  62           HA       THR  62  15.458  -3.151  -9.167
  485    HB   THR  62           HB       THR  62  15.602  -5.178  -6.926
  486    HG1  THR  62           HG1      THR  62  14.951  -5.554  -9.403
  487   1HG2  THR  62          HG21      THR  62  13.381  -3.271  -7.670
  488   2HG2  THR  62          HG22      THR  62  14.401  -3.159  -6.235
  489   3HG2  THR  62          HG23      THR  62  13.296  -4.520  -6.427
  490    H    LEU  63           HN       LEU  63  18.190  -3.812  -7.162
  491    HA   LEU  63           HA       LEU  63  17.983  -2.128  -5.061
  492   1HB   LEU  63          HB2       LEU  63  19.931  -3.630  -5.999
  493   2HB   LEU  63          HB1       LEU  63  20.519  -2.112  -6.629
  494    HG   LEU  63           HG       LEU  63  19.825  -2.141  -3.756
  495   1HD1  LEU  63          HD11      LEU  63  21.100  -3.868  -3.203
  496   2HD1  LEU  63          HD12      LEU  63  22.483  -3.045  -3.924
  497   3HD1  LEU  63          HD13      LEU  63  21.509  -4.147  -4.895
  498   1HD2  LEU  63          HD21      LEU  63  22.368  -1.180  -4.980
  499   2HD2  LEU  63          HD22      LEU  63  21.467  -0.535  -3.608
  500   3HD2  LEU  63          HD23      LEU  63  20.880  -0.278  -5.251
  501    H    ASP  64           HN       ASP  64  19.692  -1.121  -8.027
  502    HA   ASP  64           HA       ASP  64  19.523   1.637  -7.418
  503   1HB   ASP  64          HB2       ASP  64  21.219   0.507  -8.929
  504   2HB   ASP  64          HB1       ASP  64  19.955   0.455 -10.154
  505    H    VAL  65           HN       VAL  65  17.184  -0.504  -8.601
  506    HA   VAL  65           HA       VAL  65  15.764   1.419 -10.214
  507    HB   VAL  65           HB       VAL  65  14.892  -1.313  -9.234
  508   1HG1  VAL  65          HG11      VAL  65  13.696   0.468 -11.359
  509   2HG1  VAL  65          HG12      VAL  65  12.997   0.143  -9.773
  510   3HG1  VAL  65          HG13      VAL  65  13.162  -1.162 -10.947
  511   1HG2  VAL  65          HG21      VAL  65  16.016  -0.433 -11.894
  512   2HG2  VAL  65          HG22      VAL  65  15.413  -2.046 -11.513
  513   3HG2  VAL  65          HG23      VAL  65  16.843  -1.422 -10.690
  514    H    ASN  66           HN       ASN  66  14.938  -0.368  -7.253
  515    HA   ASN  66           HA       ASN  66  12.799   1.450  -6.608
  516   1HB   ASN  66          HB2       ASN  66  13.944  -0.945  -5.209
  517   2HB   ASN  66          HB1       ASN  66  12.572  -0.036  -4.598
  518   1HD2  ASN  66          HD21      ASN  66  11.217  -1.816  -4.748
  519   2HD2  ASN  66          HD22      ASN  66  10.640  -2.413  -6.263
  520    H    GLN  67           HN       GLN  67  15.523   2.626  -6.469
  521    HA   GLN  67           HA       GLN  67  16.491   2.732  -3.856
  522   1HB   GLN  67          HB2       GLN  67  17.691   4.713  -4.491
  523   2HB   GLN  67          HB1       GLN  67  17.781   3.534  -5.783
  524   1HG   GLN  67          HG2       GLN  67  16.070   5.973  -5.673
  525   2HG   GLN  67          HG1       GLN  67  17.520   5.770  -6.640
  526   1HE2  GLN  67          HE21      GLN  67  14.488   6.170  -7.009
  527   2HE2  GLN  67          HE22      GLN  67  14.108   5.030  -8.227
  528    H    ASP  68           HN       ASP  68  14.351   4.954  -5.504
  529    HA   ASP  68           HA       ASP  68  13.891   6.484  -3.103
  530   1HB   ASP  68          HB2       ASP  68  12.721   6.775  -5.877
  531   2HB   ASP  68          HB1       ASP  68  12.440   7.886  -4.539
  532    H    SER  69           HN       SER  69  12.825   3.605  -4.082
  533    HA   SER  69           HA       SER  69  10.021   3.663  -4.083
  534   1HB   SER  69          HB2       SER  69  11.907   1.487  -3.192
  535   2HB   SER  69          HB1       SER  69  10.181   1.288  -3.457
  536    HG   SER  69           HG       SER  69  10.525   1.937  -5.630
  537    H    GLU  70           HN       GLU  70  12.311   4.080  -1.660
  538    HA   GLU  70           HA       GLU  70  10.258   4.189   0.424
  539   1HB   GLU  70          HB2       GLU  70  12.345   3.936   1.848
  540   2HB   GLU  70          HB1       GLU  70  11.790   2.503   1.017
  541   1HG   GLU  70          HG2       GLU  70  13.769   4.248  -0.332
  542   2HG   GLU  70          HG1       GLU  70  14.332   3.217   0.972
  543    H    LEU  71           HN       LEU  71   9.892   6.340   0.942
  544    HA   LEU  71           HA       LEU  71  12.226   7.998   1.151
  545   1HB   LEU  71          HB2       LEU  71  11.356   9.827  -0.140
  546   2HB   LEU  71          HB1       LEU  71  11.713   8.401  -1.095
  547    HG   LEU  71           HG       LEU  71   9.754   9.348  -1.850
  548   1HD1  LEU  71          HD11      LEU  71   9.972   6.811  -1.327
  549   2HD1  LEU  71          HD12      LEU  71   8.537   7.478  -2.069
  550   3HD1  LEU  71          HD13      LEU  71   8.568   7.175  -0.338
  551   1HD2  LEU  71          HD21      LEU  71   7.820   9.890  -0.588
  552   2HD2  LEU  71          HD22      LEU  71   9.220  10.677   0.130
  553   3HD2  LEU  71          HD23      LEU  71   8.560   9.223   0.851
  554    H    ARG  72           HN       ARG  72  11.847  10.170   1.766
  555    HA   ARG  72           HA       ARG  72   9.760  10.389   3.821
  556   1HB   ARG  72          HB2       ARG  72  12.168  12.090   3.972
  557   2HB   ARG  72          HB1       ARG  72  11.302  11.272   5.264
  558   1HG   ARG  72          HG2       ARG  72  13.444  10.225   3.457
  559   2HG   ARG  72          HG1       ARG  72  13.428  10.302   5.222
  560   1HD   ARG  72          HD2       ARG  72  12.241   8.319   3.370
  561   2HD   ARG  72          HD1       ARG  72  12.979   8.096   4.955
  562    HE   ARG  72           HE       ARG  72  10.190   8.588   4.419
  563   1HH1  ARG  72          HH11      ARG  72  12.741   8.688   6.788
  564   2HH1  ARG  72          HH12      ARG  72  11.664   8.571   8.139
  565   1HH2  ARG  72          HH21      ARG  72   8.766   8.436   6.190
  566   2HH2  ARG  72          HH22      ARG  72   9.404   8.429   7.799
  567    H    PHE  73           HN       PHE  73  10.812  11.548   0.829
  568    HA   PHE  73           HA       PHE  73   9.657  14.162   1.361
  569   1HB   PHE  73          HB2       PHE  73  11.022  15.175  -0.301
  570   2HB   PHE  73          HB1       PHE  73  12.045  14.255   0.770
  571    HD1  PHE  73           HD1      PHE  73  11.967  15.384  -2.287
  572    HD2  PHE  73           HD2      PHE  73  12.140  11.554  -0.430
  573    HE1  PHE  73           HE1      PHE  73  13.036  14.464  -4.285
  574    HE2  PHE  73           HE2      PHE  73  13.185  10.619  -2.461
  575    HZ   PHE  73           HZ       PHE  73  13.652  12.088  -4.374
  576    H    SER  74           HN       SER  74   9.887  14.011  -1.971
  577    HA   SER  74           HA       SER  74   7.072  13.325  -2.048
  578   1HB   SER  74          HB2       SER  74   7.194  14.517  -4.344
  579   2HB   SER  74          HB1       SER  74   7.164  15.492  -2.874
  580    HG   SER  74           HG       SER  74   9.384  14.839  -4.505
  581    H    GLU  75           HN       GLU  75   9.644  11.655  -2.421
  582    HA   GLU  75           HA       GLU  75   9.166  10.633  -5.051
  583   1HB   GLU  75          HB2       GLU  75  11.076  10.244  -2.856
  584   2HB   GLU  75          HB1       GLU  75  10.761   8.784  -3.792
  585   1HG   GLU  75          HG2       GLU  75  11.656  11.394  -4.976
  586   2HG   GLU  75          HG1       GLU  75  12.756  10.112  -4.459
  587    H    TYR  76           HN       TYR  76   7.327  10.474  -2.385
  588    HA   TYR  76           HA       TYR  76   6.868   7.924  -1.675
  589   1HB   TYR  76          HB2       TYR  76   5.190  10.325  -1.707
  590   2HB   TYR  76          HB1       TYR  76   4.321   8.799  -1.583
  591    HD1  TYR  76           HD1      TYR  76   6.766   7.540  -0.007
  592    HD2  TYR  76           HD2      TYR  76   4.403  11.015   0.515
  593    HE1  TYR  76           HE1      TYR  76   7.325   7.500   2.311
  594    HE2  TYR  76           HE2      TYR  76   4.952  11.004   2.909
  595    HH   TYR  76           HH       TYR  76   5.692   9.459   4.631
  596    H    TRP  77           HN       TRP  77   6.097   9.256  -4.727
  597    HA   TRP  77           HA       TRP  77   4.212   7.261  -5.486
  598   1HB   TRP  77          HB2       TRP  77   4.731   7.832  -7.816
  599   2HB   TRP  77          HB1       TRP  77   4.495   9.289  -6.874
  600    HD1  TRP  77           HD1      TRP  77   7.407   7.088  -8.092
  601    HE1  TRP  77           HE1      TRP  77   9.404   8.597  -8.605
  602    HE3  TRP  77           HE3      TRP  77   5.445  11.576  -6.662
  603    HZ2  TRP  77           HZ2      TRP  77  10.078  11.340  -8.440
  604    HZ3  TRP  77           HZ3      TRP  77   6.818  13.593  -6.868
  605    HH2  TRP  77           HH2      TRP  77   9.094  13.479  -7.740
  606    H    ARG  78           HN       ARG  78   7.477   7.011  -4.676
  607    HA   ARG  78           HA       ARG  78   8.124   4.932  -6.565
  608   1HB   ARG  78          HB2       ARG  78   9.642   6.005  -4.183
  609   2HB   ARG  78          HB1       ARG  78  10.313   4.894  -5.374
  610   1HG   ARG  78          HG2       ARG  78   9.190   7.469  -6.324
  611   2HG   ARG  78          HG1       ARG  78  10.738   7.487  -5.480
  612   1HD   ARG  78          HD2       ARG  78  11.153   7.291  -7.836
  613   2HD   ARG  78          HD1       ARG  78  11.560   5.760  -7.063
  614    HE   ARG  78           HE       ARG  78   8.884   5.837  -8.093
  615   1HH1  ARG  78          HH11      ARG  78  12.223   5.247  -8.882
  616   2HH1  ARG  78          HH12      ARG  78  11.857   4.216 -10.224
  617   1HH2  ARG  78          HH21      ARG  78   8.390   4.482  -9.857
  618   2HH2  ARG  78          HH22      ARG  78   9.679   3.781 -10.779
  619    H    LEU  79           HN       LEU  79   7.200   5.270  -3.136
  620    HA   LEU  79           HA       LEU  79   7.326   2.525  -2.506
  621   1HB   LEU  79          HB2       LEU  79   4.980   3.813  -1.329
  622   2HB   LEU  79          HB1       LEU  79   6.316   2.995  -0.558
  623    HG   LEU  79           HG       LEU  79   6.616   5.821  -1.528
  624   1HD1  LEU  79          HD11      LEU  79   6.016   5.852   1.199
  625   2HD1  LEU  79          HD12      LEU  79   4.794   4.799   0.484
  626   3HD1  LEU  79          HD13      LEU  79   5.002   6.441  -0.117
  627   1HD2  LEU  79          HD21      LEU  79   8.671   5.160  -0.793
  628   2HD2  LEU  79          HD22      LEU  79   8.022   3.901   0.248
  629   3HD2  LEU  79          HD23      LEU  79   7.978   5.584   0.770
  630    H    ILE  80           HN       ILE  80   5.281   4.254  -4.597
  631    HA   ILE  80           HA       ILE  80   2.855   3.114  -4.407
  632    HB   ILE  80           HB       ILE  80   3.794   4.880  -6.066
  633   1HG1  ILE  80          HG12      ILE  80   1.400   4.255  -5.827
  634   2HG1  ILE  80          HG11      ILE  80   1.835   4.654  -7.486
  635   1HG2  ILE  80          HG21      ILE  80   5.321   3.399  -7.211
  636   2HG2  ILE  80          HG22      ILE  80   4.134   4.081  -8.322
  637   3HG2  ILE  80          HG23      ILE  80   3.972   2.413  -7.771
  638   1HD1  ILE  80          HD11      ILE  80   1.346   1.933  -6.316
  639   2HD1  ILE  80          HD12      ILE  80   2.045   2.194  -7.914
  640   3HD1  ILE  80          HD13      ILE  80   0.415   2.767  -7.559
  641    H    GLY  81           HN       GLY  81   5.544   1.692  -6.247
  642   1HA   GLY  81          HA2       GLY  81   4.041  -0.705  -6.780
  643   2HA   GLY  81          HA1       GLY  81   5.758  -0.463  -7.080
  644    H    GLU  82           HN       GLU  82   5.716   0.499  -4.094
  645    HA   GLU  82           HA       GLU  82   6.538  -2.080  -3.057
  646   1HB   GLU  82          HB2       GLU  82   6.550   0.621  -1.737
  647   2HB   GLU  82          HB1       GLU  82   7.215  -0.864  -1.075
  648   1HG   GLU  82          HG2       GLU  82   8.458  -0.734  -3.487
  649   2HG   GLU  82          HG1       GLU  82   8.316   0.972  -3.050
  650    H    LEU  83           HN       LEU  83   4.218   0.443  -2.064
  651    HA   LEU  83           HA       LEU  83   3.149  -0.907   0.104
  652   1HB   LEU  83          HB2       LEU  83   2.211   1.214  -1.716
  653   2HB   LEU  83          HB1       LEU  83   0.941   0.333  -0.885
  654    HG   LEU  83           HG       LEU  83   3.245   1.437   0.680
  655   1HD1  LEU  83          HD11      LEU  83   2.520   3.333  -0.594
  656   2HD1  LEU  83          HD12      LEU  83   1.900   3.486   1.051
  657   3HD1  LEU  83          HD13      LEU  83   0.828   2.973  -0.253
  658   1HD2  LEU  83          HD21      LEU  83   1.709  -0.079   1.792
  659   2HD2  LEU  83          HD22      LEU  83   0.339   0.920   1.302
  660   3HD2  LEU  83          HD23      LEU  83   1.533   1.554   2.434
  661    H    ALA  84           HN       ALA  84   2.843  -1.569  -3.261
  662    HA   ALA  84           HA       ALA  84   0.680  -3.414  -2.861
  663   1HB   ALA  84          HB1       ALA  84   2.445  -2.958  -5.270
  664   2HB   ALA  84          HB2       ALA  84   0.860  -2.236  -4.993
  665   3HB   ALA  84          HB3       ALA  84   1.006  -3.977  -5.239
  666    H    LYS  85           HN       LYS  85   4.164  -3.490  -2.995
  667    HA   LYS  85           HA       LYS  85   4.911  -6.022  -3.476
  668   1HB   LYS  85          HB2       LYS  85   6.152  -3.937  -2.321
  669   2HB   LYS  85          HB1       LYS  85   6.009  -5.022  -0.943
  670   1HG   LYS  85          HG2       LYS  85   8.120  -5.383  -2.024
  671   2HG   LYS  85          HG1       LYS  85   7.101  -6.796  -2.274
  672   1HD   LYS  85          HD2       LYS  85   8.157  -6.345  -4.348
  673   2HD   LYS  85          HD1       LYS  85   6.489  -5.794  -4.517
  674   1HE   LYS  85          HE2       LYS  85   7.162  -3.512  -4.150
  675   2HE   LYS  85          HE1       LYS  85   8.826  -4.010  -3.841
  676   1HZ   LYS  85          HZ1       LYS  85   8.958  -4.814  -6.119
  677   2HZ   LYS  85          HZ2       LYS  85   8.550  -3.172  -6.090
  678   3HZ   LYS  85          HZ3       LYS  85   7.361  -4.332  -6.408
  679    H    GLU  86           HN       GLU  86   3.085  -4.939  -0.749
  680    HA   GLU  86           HA       GLU  86   3.111  -7.502   0.559
  681   1HB   GLU  86          HB2       GLU  86   1.543  -6.454   2.146
  682   2HB   GLU  86          HB1       GLU  86   2.967  -5.450   1.911
  683   1HG   GLU  86          HG2       GLU  86   1.656  -4.157   0.250
  684   2HG   GLU  86          HG1       GLU  86   0.225  -5.030   0.785
  685    H    VAL  87           HN       VAL  87   0.730  -5.513  -1.159
  686    HA   VAL  87           HA       VAL  87  -1.395  -7.378  -0.932
  687    HB   VAL  87           HB       VAL  87  -1.555  -4.864  -1.263
  688   1HG1  VAL  87          HG11      VAL  87  -0.088  -5.089  -3.427
  689   2HG1  VAL  87          HG12      VAL  87  -1.357  -3.877  -3.316
  690   3HG1  VAL  87          HG13      VAL  87  -1.647  -5.380  -4.191
  691   1HG2  VAL  87          HG21      VAL  87  -3.474  -6.348  -1.251
  692   2HG2  VAL  87          HG22      VAL  87  -3.255  -6.659  -2.972
  693   3HG2  VAL  87          HG23      VAL  87  -3.687  -5.042  -2.416
  694    H    ARG  88           HN       ARG  88   0.918  -6.739  -3.515
  695    HA   ARG  88           HA       ARG  88  -0.314  -7.932  -5.652
  696   1HB   ARG  88          HB2       ARG  88   2.180  -6.910  -5.161
  697   2HB   ARG  88          HB1       ARG  88   2.530  -8.601  -5.490
  698   1HG   ARG  88          HG2       ARG  88   1.375  -8.443  -7.624
  699   2HG   ARG  88          HG1       ARG  88   0.977  -6.756  -7.291
  700   1HD   ARG  88          HD2       ARG  88   2.898  -6.904  -8.773
  701   2HD   ARG  88          HD1       ARG  88   3.364  -6.212  -7.220
  702    HE   ARG  88           HE       ARG  88   3.810  -8.965  -7.108
  703   1HH1  ARG  88          HH11      ARG  88   5.011  -6.166  -8.796
  704   2HH1  ARG  88          HH12      ARG  88   6.603  -6.816  -9.009
  705   1HH2  ARG  88          HH21      ARG  88   5.904  -9.830  -7.380
  706   2HH2  ARG  88          HH22      ARG  88   7.111  -8.897  -8.202
  707    H    LYS  89           HN       LYS  89   1.757  -9.649  -3.330
  708    HA   LYS  89           HA       LYS  89   1.156 -12.185  -4.603
  709   1HB   LYS  89          HB2       LYS  89   2.550 -13.134  -2.717
  710   2HB   LYS  89          HB1       LYS  89   3.393 -12.041  -3.804
  711   1HG   LYS  89          HG2       LYS  89   2.256 -10.616  -1.571
  712   2HG   LYS  89          HG1       LYS  89   3.325 -11.928  -1.024
  713   1HD   LYS  89          HD2       LYS  89   4.519  -9.790  -1.377
  714   2HD   LYS  89          HD1       LYS  89   5.108 -11.066  -2.427
  715   1HE   LYS  89          HE2       LYS  89   3.575 -10.128  -4.207
  716   2HE   LYS  89          HE1       LYS  89   3.400  -8.721  -3.164
  717   1HZ   LYS  89          HZ1       LYS  89   5.969  -9.755  -4.228
  718   2HZ   LYS  89          HZ2       LYS  89   5.778  -8.383  -3.257
  719   3HZ   LYS  89          HZ3       LYS  89   5.132  -8.409  -4.820
  720    H    GLU  90           HN       GLU  90   0.382 -10.331  -1.783
  721    HA   GLU  90           HA       GLU  90  -1.019 -12.287  -0.374
  722   1HB   GLU  90          HB2       GLU  90  -1.057  -9.276  -0.394
  723   2HB   GLU  90          HB1       GLU  90  -2.199 -10.188   0.601
  724   1HG   GLU  90          HG2       GLU  90   0.804 -10.362   0.724
  725   2HG   GLU  90          HG1       GLU  90  -0.233  -9.516   1.870
  726    H    LYS  91           HN       LYS  91  -1.731 -10.630  -3.291
  727    HA   LYS  91           HA       LYS  91  -4.463 -10.470  -3.297
  728   1HB   LYS  91          HB2       LYS  91  -4.415 -10.370  -5.579
  729   2HB   LYS  91          HB1       LYS  91  -2.855  -9.745  -5.101
  730   1HG   LYS  91          HG2       LYS  91  -1.862 -11.945  -5.619
  731   2HG   LYS  91          HG1       LYS  91  -3.440 -12.490  -6.191
  732   1HD   LYS  91          HD2       LYS  91  -3.433 -10.713  -7.879
  733   2HD   LYS  91          HD1       LYS  91  -1.851 -10.180  -7.307
  734   1HE   LYS  91          HE2       LYS  91  -0.924 -12.385  -7.883
  735   2HE   LYS  91          HE1       LYS  91  -2.502 -12.871  -8.503
  736   1HZ   LYS  91          HZ1       LYS  91  -0.828 -10.652  -9.550
  737   2HZ   LYS  91          HZ2       LYS  91  -2.356 -11.081 -10.133
  738   3HZ   LYS  91          HZ3       LYS  91  -1.060 -12.156 -10.289
  739    H    ALA  92           HN       ALA  92  -2.608 -13.265  -4.414
  740    HA   ALA  92           HA       ALA  92  -4.970 -14.914  -4.467
  741   1HB   ALA  92          HB1       ALA  92  -3.311 -16.707  -5.119
  742   2HB   ALA  92          HB2       ALA  92  -2.071 -15.450  -5.070
  743   3HB   ALA  92          HB3       ALA  92  -3.416 -15.322  -6.205
  744    H    LEU  93           HN       LEU  93  -2.250 -14.431  -2.295
  745    HA   LEU  93           HA       LEU  93  -2.880 -16.822  -0.814
  746   1HB   LEU  93          HB2       LEU  93  -0.575 -16.094  -0.913
  747   2HB   LEU  93          HB1       LEU  93  -0.974 -14.566  -0.140
  748    HG   LEU  93           HG       LEU  93  -1.710 -17.049   1.322
  749   1HD1  LEU  93          HD11      LEU  93   0.581 -17.253   2.231
  750   2HD1  LEU  93          HD12      LEU  93   1.142 -16.097   1.024
  751   3HD1  LEU  93          HD13      LEU  93   0.490 -17.655   0.516
  752   1HD2  LEU  93          HD21      LEU  93  -2.113 -14.714   2.143
  753   2HD2  LEU  93          HD22      LEU  93  -0.365 -14.516   2.254
  754   3HD2  LEU  93          HD23      LEU  93  -1.178 -15.731   3.238
  755    H    GLY  94           HN       GLY  94  -4.108 -13.659  -0.856
  756   1HA   GLY  94          HA2       GLY  94  -4.769 -13.192   1.819
  757   2HA   GLY  94          HA1       GLY  94  -5.697 -12.624   0.443
  758    H    ILE  95           HN       ILE  95  -6.399 -15.099  -0.613
  759    HA   ILE  95           HA       ILE  95  -8.704 -15.666   0.905
  760    HB   ILE  95           HB       ILE  95  -8.568 -15.991  -1.525
  761   1HG1  ILE  95          HG12      ILE  95  -9.225 -18.463   0.087
  762   2HG1  ILE  95          HG11      ILE  95 -10.315 -17.151  -0.321
  763   1HG2  ILE  95          HG21      ILE  95  -7.062 -18.505  -1.133
  764   2HG2  ILE  95          HG22      ILE  95  -6.196 -16.966  -1.163
  765   3HG2  ILE  95          HG23      ILE  95  -7.181 -17.452  -2.547
  766   1HD1  ILE  95          HD11      ILE  95  -9.160 -19.214  -2.157
  767   2HD1  ILE  95          HD12      ILE  95  -9.970 -17.759  -2.734
  768   3HD1  ILE  95          HD13      ILE  95 -10.851 -18.930  -1.753
  769    H    ARG  96           HN       ARG  96  -7.267 -15.951   2.918
  770    HA   ARG  96           HA       ARG  96  -5.782 -18.312   3.305
  771   1HB   ARG  96          HB2       ARG  96  -6.057 -16.160   4.817
  772   2HB   ARG  96          HB1       ARG  96  -7.353 -17.096   5.551
  773   1HG   ARG  96          HG2       ARG  96  -5.494 -17.540   6.879
  774   2HG   ARG  96          HG1       ARG  96  -5.622 -18.950   5.827
  775   1HD   ARG  96          HD2       ARG  96  -3.330 -18.342   5.871
  776   2HD   ARG  96          HD1       ARG  96  -3.960 -17.828   4.306
  777    HE   ARG  96           HE       ARG  96  -4.230 -15.624   5.874
  778   1HH1  ARG  96          HH11      ARG  96  -1.573 -17.726   5.072
  779   2HH1  ARG  96          HH12      ARG  96  -0.373 -16.487   5.237
  780   1HH2  ARG  96          HH21      ARG  96  -2.661 -13.985   6.095
  781   2HH2  ARG  96          HH22      ARG  96  -0.992 -14.359   5.819
  782    H    LYS  97           HN       LYS  97  -9.139 -17.498   3.469
  783    HA   LYS  97           HA       LYS  97  -9.936 -20.099   4.424
  784   1HB   LYS  97          HB2       LYS  97 -12.251 -19.173   4.092
  785   2HB   LYS  97          HB1       LYS  97 -11.248 -18.270   5.212
  786   1HG   LYS  97          HG2       LYS  97 -12.012 -16.490   4.089
  787   2HG   LYS  97          HG1       LYS  97 -10.782 -16.884   2.878
  788   1HD   LYS  97          HD2       LYS  97 -13.015 -18.512   2.316
  789   2HD   LYS  97          HD1       LYS  97 -13.651 -16.901   2.659
  790   1HE   LYS  97          HE2       LYS  97 -11.498 -16.311   1.127
  791   2HE   LYS  97          HE1       LYS  97 -12.001 -17.845   0.423
  792   1HZ   LYS  97          HZ1       LYS  97 -13.054 -15.908  -0.636
  793   2HZ   LYS  97          HZ2       LYS  97 -13.809 -15.528   0.829
  794   3HZ   LYS  97          HZ3       LYS  97 -14.182 -16.974   0.038
  795    H    LYS  98           HN       LYS  98  -9.014 -21.358   2.720
  796    HA   LYS  98           HA       LYS  98 -10.342 -21.103   0.114
  797   1HB   LYS  98          HB2       LYS  98  -7.893 -22.709   0.874
  798   2HB   LYS  98          HB1       LYS  98  -8.567 -22.580  -0.742
  799   1HG   LYS  98          HG2       LYS  98  -8.207 -20.013  -0.348
  800   2HG   LYS  98          HG1       LYS  98  -7.028 -20.573   0.839
  801   1HD   LYS  98          HD2       LYS  98  -5.706 -20.431  -1.024
  802   2HD   LYS  98          HD1       LYS  98  -6.251 -22.104  -1.155
  803   1HE   LYS  98          HE2       LYS  98  -7.363 -19.705  -2.609
  804   2HE   LYS  98          HE1       LYS  98  -6.443 -21.040  -3.306
  805   1HZ   LYS  98          HZ1       LYS  98  -8.251 -22.541  -2.699
  806   2HZ   LYS  98          HZ2       LYS  98  -8.792 -21.314  -3.730
  807   3HZ   LYS  98          HZ3       LYS  98  -9.139 -21.243  -2.076
  808   1H    MET   1          HT1       MET   1  18.516  -3.620  -1.174
  809   2H    MET   1          HT2       MET   1  19.004  -3.572  -2.790
  810   3H    MET   1          HT3       MET   1  20.010  -4.274  -1.628
  811    HA   MET   1           HA       MET   1  19.040  -6.053  -2.760
  812   1HB   MET   1          HB2       MET   1  18.083  -5.431  -0.058
  813   2HB   MET   1          HB1       MET   1  17.157  -6.648  -0.883
  814   1HG   MET   1          HG2       MET   1  19.132  -7.350   0.613
  815   2HG   MET   1          HG1       MET   1  18.934  -8.132  -0.952
  816   1HE   MET   1          HE1       MET   1  21.248  -9.026  -0.423
  817   2HE   MET   1          HE2       MET   1  21.991  -7.964   0.773
  818   3HE   MET   1          HE3       MET   1  22.745  -8.178  -0.807
  819    H    ALA   2           HN       ALA   2  16.795  -7.259  -2.963
  820    HA   ALA   2           HA       ALA   2  14.989  -5.327  -4.243
  821   1HB   ALA   2          HB1       ALA   2  15.512  -8.186  -5.003
  822   2HB   ALA   2          HB2       ALA   2  16.044  -6.744  -5.863
  823   3HB   ALA   2          HB3       ALA   2  14.328  -7.128  -5.772
  824    H    ALA   3           HN       ALA   3  12.994  -5.124  -3.467
  825    HA   ALA   3           HA       ALA   3  11.985  -6.787  -1.368
  826   1HB   ALA   3          HB1       ALA   3   9.974  -5.477  -1.541
  827   2HB   ALA   3          HB2       ALA   3  10.452  -4.860  -3.122
  828   3HB   ALA   3          HB3       ALA   3  11.359  -4.397  -1.681
  829    H    GLU   4           HN       GLU   4  11.973  -8.910  -2.145
  830    HA   GLU   4           HA       GLU   4  10.979  -9.657  -4.683
  831   1HB   GLU   4          HB2       GLU   4  11.625 -11.167  -2.183
  832   2HB   GLU   4          HB1       GLU   4  10.898 -11.983  -3.555
  833   1HG   GLU   4          HG2       GLU   4  13.621 -10.838  -3.222
  834   2HG   GLU   4          HG1       GLU   4  13.091 -12.391  -3.868
  835    H    THR   5           HN       THR   5   9.605 -11.187  -1.821
  836    HA   THR   5           HA       THR   5   6.991 -11.045  -3.037
  837    HB   THR   5           HB       THR   5   7.987 -12.456  -0.576
  838    HG1  THR   5           HG1      THR   5   8.511 -13.164  -2.831
  839   1HG2  THR   5          HG21      THR   5   5.535 -11.791  -0.473
  840   2HG2  THR   5          HG22      THR   5   5.918 -13.497  -0.272
  841   3HG2  THR   5          HG23      THR   5   5.302 -12.909  -1.815
  842    H    LEU   6           HN       LEU   6   7.352 -10.929   0.459
  843    HA   LEU   6           HA       LEU   6   5.709  -8.492   0.397
  844   1HB   LEU   6          HB2       LEU   6   6.072 -10.553   2.571
  845   2HB   LEU   6          HB1       LEU   6   5.050  -9.143   2.683
  846    HG   LEU   6           HG       LEU   6   4.230 -10.520   0.371
  847   1HD1  LEU   6          HD11      LEU   6   4.308 -12.379   2.729
  848   2HD1  LEU   6          HD12      LEU   6   5.487 -12.441   1.420
  849   3HD1  LEU   6          HD13      LEU   6   3.779 -12.727   1.083
  850   1HD2  LEU   6          HD21      LEU   6   2.658  -9.288   1.571
  851   2HD2  LEU   6          HD22      LEU   6   3.100 -10.040   3.103
  852   3HD2  LEU   6          HD23      LEU   6   2.210 -10.963   1.895
  853    H    THR   7           HN       THR   7   6.843  -6.671   0.734
  854    HA   THR   7           HA       THR   7   9.218  -6.735   2.362
  855    HB   THR   7           HB       THR   7   8.409  -4.037   1.891
  856    HG1  THR   7           HG1      THR   7   8.454  -4.226  -0.488
  857   1HG2  THR   7          HG21      THR   7  10.560  -5.449   0.309
  858   2HG2  THR   7          HG22      THR   7  10.754  -5.107   2.036
  859   3HG2  THR   7          HG23      THR   7  10.509  -3.781   0.905
  860    H    GLU   8           HN       GLU   8   9.377  -4.874   4.066
  861    HA   GLU   8           HA       GLU   8   7.965  -5.520   6.265
  862   1HB   GLU   8          HB2       GLU   8   8.742  -2.693   5.580
  863   2HB   GLU   8          HB1       GLU   8   8.490  -3.339   7.194
  864   1HG   GLU   8          HG2       GLU   8  10.684  -4.095   5.277
  865   2HG   GLU   8          HG1       GLU   8  10.845  -3.148   6.755
  866    H    LEU   9           HN       LEU   9   6.783  -3.560   3.645
  867    HA   LEU   9           HA       LEU   9   4.666  -2.237   4.880
  868   1HB   LEU   9          HB2       LEU   9   4.057  -3.262   2.183
  869   2HB   LEU   9          HB1       LEU   9   3.948  -1.634   2.826
  870    HG   LEU   9           HG       LEU   9   6.638  -1.928   2.714
  871   1HD1  LEU   9          HD11      LEU   9   5.511  -3.445   0.373
  872   2HD1  LEU   9          HD12      LEU   9   6.424  -4.147   1.708
  873   3HD1  LEU   9          HD13      LEU   9   7.199  -2.997   0.619
  874   1HD2  LEU   9          HD21      LEU   9   6.280  -0.101   1.569
  875   2HD2  LEU   9          HD22      LEU   9   4.597  -0.543   1.315
  876   3HD2  LEU   9          HD23      LEU   9   5.829  -1.059   0.174
  877    H    GLU  10           HN       GLU  10   4.954  -5.608   4.040
  878    HA   GLU  10           HA       GLU  10   2.244  -6.290   3.912
  879   1HB   GLU  10          HB2       GLU  10   3.075  -8.527   4.928
  880   2HB   GLU  10          HB1       GLU  10   3.686  -8.040   3.348
  881   1HG   GLU  10          HG2       GLU  10   5.768  -8.100   4.104
  882   2HG   GLU  10          HG1       GLU  10   5.368  -6.963   5.387
  883    H    ALA  11           HN       ALA  11   4.343  -5.536   6.592
  884    HA   ALA  11           HA       ALA  11   2.564  -6.341   8.664
  885   1HB   ALA  11          HB1       ALA  11   3.965  -4.982  10.132
  886   2HB   ALA  11          HB2       ALA  11   4.736  -4.237   8.733
  887   3HB   ALA  11          HB3       ALA  11   4.972  -5.953   9.059
  888    H    ALA  12           HN       ALA  12   3.067  -3.491   6.724
  889    HA   ALA  12           HA       ALA  12   1.288  -1.778   8.106
  890   1HB   ALA  12          HB1       ALA  12   3.044  -0.999   6.521
  891   2HB   ALA  12          HB2       ALA  12   1.445  -0.337   6.183
  892   3HB   ALA  12          HB3       ALA  12   2.080  -1.654   5.197
  893    H    ILE  13           HN       ILE  13   0.930  -4.287   5.714
  894    HA   ILE  13           HA       ILE  13  -1.550  -3.676   4.668
  895    HB   ILE  13           HB       ILE  13   0.100  -5.722   4.248
  896   1HG1  ILE  13          HG12      ILE  13  -1.807  -4.909   2.842
  897   2HG1  ILE  13          HG11      ILE  13  -1.549  -6.650   2.772
  898   1HG2  ILE  13          HG21      ILE  13  -0.492  -7.776   5.110
  899   2HG2  ILE  13          HG22      ILE  13  -2.116  -7.245   5.543
  900   3HG2  ILE  13          HG23      ILE  13  -0.734  -6.725   6.505
  901   1HD1  ILE  13          HD11      ILE  13  -3.693  -5.166   4.264
  902   2HD1  ILE  13          HD12      ILE  13  -3.374  -6.888   4.466
  903   3HD1  ILE  13          HD13      ILE  13  -3.883  -6.264   2.897
  904    H    GLU  14           HN       GLU  14  -0.620  -4.754   7.808
  905    HA   GLU  14           HA       GLU  14  -3.048  -5.775   8.768
  906   1HB   GLU  14          HB2       GLU  14  -0.749  -4.492  10.241
  907   2HB   GLU  14          HB1       GLU  14  -2.066  -5.365  11.012
  908   1HG   GLU  14          HG2       GLU  14  -1.424  -7.395   9.823
  909   2HG   GLU  14          HG1       GLU  14  -0.108  -6.522   9.040
  910    H    THR  15           HN       THR  15  -1.710  -2.454   8.836
  911    HA   THR  15           HA       THR  15  -3.734  -1.383  10.437
  912    HB   THR  15           HB       THR  15  -2.161   0.071   8.328
  913    HG1  THR  15           HG1      THR  15  -0.814   0.531  10.328
  914   1HG2  THR  15          HG21      THR  15  -3.376   1.029  10.924
  915   2HG2  THR  15          HG22      THR  15  -4.032   1.326   9.315
  916   3HG2  THR  15          HG23      THR  15  -2.475   2.017   9.774
  917    H    VAL  16           HN       VAL  16  -3.159  -1.293   6.989
  918    HA   VAL  16           HA       VAL  16  -5.541  -0.015   6.232
  919    HB   VAL  16           HB       VAL  16  -3.557  -0.055   4.829
  920   1HG1  VAL  16          HG11      VAL  16  -2.716  -2.259   5.354
  921   2HG1  VAL  16          HG12      VAL  16  -2.945  -2.118   3.611
  922   3HG1  VAL  16          HG13      VAL  16  -4.112  -3.013   4.584
  923   1HG2  VAL  16          HG21      VAL  16  -4.675  -0.823   2.689
  924   2HG2  VAL  16          HG22      VAL  16  -5.557   0.363   3.649
  925   3HG2  VAL  16          HG23      VAL  16  -6.030  -1.335   3.694
  926    H    VAL  17           HN       VAL  17  -4.778  -3.404   6.759
  927    HA   VAL  17           HA       VAL  17  -7.157  -4.305   5.437
  928    HB   VAL  17           HB       VAL  17  -5.084  -5.679   5.526
  929   1HG1  VAL  17          HG11      VAL  17  -4.429  -6.826   7.472
  930   2HG1  VAL  17          HG12      VAL  17  -5.901  -6.374   8.331
  931   3HG1  VAL  17          HG13      VAL  17  -4.681  -5.155   7.973
  932   1HG2  VAL  17          HG21      VAL  17  -7.220  -6.671   4.934
  933   2HG2  VAL  17          HG22      VAL  17  -7.588  -6.937   6.638
  934   3HG2  VAL  17          HG23      VAL  17  -6.256  -7.808   5.876
  935    H    SER  18           HN       SER  18  -6.136  -3.776   8.759
  936    HA   SER  18           HA       SER  18  -8.549  -4.902   9.848
  937   1HB   SER  18          HB2       SER  18  -6.353  -3.312  11.193
  938   2HB   SER  18          HB1       SER  18  -7.649  -4.172  12.025
  939    HG   SER  18           HG       SER  18  -6.783  -6.083  11.429
  940    H    THR  19           HN       THR  19  -7.584  -1.791   8.730
  941    HA   THR  19           HA       THR  19  -9.588  -0.419  10.295
  942    HB   THR  19           HB       THR  19  -8.941   1.607   9.058
  943    HG1  THR  19           HG1      THR  19  -7.329  -0.235   7.617
  944   1HG2  THR  19          HG21      THR  19  -6.861  -0.074  10.399
  945   2HG2  THR  19          HG22      THR  19  -7.695   1.359  10.994
  946   3HG2  THR  19          HG23      THR  19  -6.445   1.516   9.760
  947    H    PHE  20           HN       PHE  20  -9.097   0.018   6.847
  948    HA   PHE  20           HA       PHE  20 -11.883   0.408   6.420
  949   1HB   PHE  20          HB2       PHE  20 -10.388   1.805   5.251
  950   2HB   PHE  20          HB1       PHE  20  -9.432   0.439   4.694
  951    HD1  PHE  20           HD1      PHE  20  -9.456   0.730   2.410
  952    HD2  PHE  20           HD2      PHE  20 -13.106   0.806   4.583
  953    HE1  PHE  20           HE1      PHE  20 -10.707   0.718   0.298
  954    HE2  PHE  20           HE2      PHE  20 -14.367   0.790   2.476
  955    HZ   PHE  20           HZ       PHE  20 -13.161   0.748   0.333
  956    H    PHE  21           HN       PHE  21  -9.591  -2.110   5.490
  957    HA   PHE  21           HA       PHE  21 -11.393  -3.431   3.844
  958   1HB   PHE  21          HB2       PHE  21  -8.961  -4.565   5.198
  959   2HB   PHE  21          HB1       PHE  21  -9.804  -5.294   3.841
  960    HD1  PHE  21           HD1      PHE  21 -10.042  -1.989   3.057
  961    HD2  PHE  21           HD2      PHE  21  -7.076  -5.019   3.478
  962    HE1  PHE  21           HE1      PHE  21  -8.555  -0.763   1.530
  963    HE2  PHE  21           HE2      PHE  21  -5.600  -3.791   1.962
  964    HZ   PHE  21           HZ       PHE  21  -6.337  -1.671   0.966
  965    H    THR  22           HN       THR  22 -11.575  -3.166   7.129
  966    HA   THR  22           HA       THR  22 -12.526  -5.823   7.662
  967    HB   THR  22           HB       THR  22 -13.102  -4.943   9.888
  968    HG1  THR  22           HG1      THR  22 -13.169  -2.653   8.681
  969   1HG2  THR  22          HG21      THR  22 -10.348  -4.209   8.920
  970   2HG2  THR  22          HG22      THR  22 -10.870  -5.839   9.336
  971   3HG2  THR  22          HG23      THR  22 -10.809  -4.595  10.581
  972    H    PHE  23           HN       PHE  23 -13.990  -3.374   5.991
  973    HA   PHE  23           HA       PHE  23 -16.532  -3.535   7.280
  974   1HB   PHE  23          HB2       PHE  23 -17.189  -1.774   6.044
  975   2HB   PHE  23          HB1       PHE  23 -15.452  -1.589   5.918
  976    HD1  PHE  23           HD1      PHE  23 -14.582  -1.033   3.913
  977    HD2  PHE  23           HD2      PHE  23 -18.268  -3.164   3.985
  978    HE1  PHE  23           HE1      PHE  23 -14.772  -0.827   1.479
  979    HE2  PHE  23           HE2      PHE  23 -18.419  -3.003   1.559
  980    HZ   PHE  23           HZ       PHE  23 -16.672  -1.830   0.311
  981    H    ALA  24           HN       ALA  24 -15.189  -5.952   5.800
  982    HA   ALA  24           HA       ALA  24 -17.117  -6.843   3.891
  983   1HB   ALA  24          HB1       ALA  24 -15.435  -8.300   3.642
  984   2HB   ALA  24          HB2       ALA  24 -16.099  -9.144   5.036
  985   3HB   ALA  24          HB3       ALA  24 -14.805  -7.971   5.252
  986    H    GLY  25           HN       GLY  25 -17.044  -6.762   7.354
  987   1HA   GLY  25          HA2       GLY  25 -18.763  -8.752   8.093
  988   2HA   GLY  25          HA1       GLY  25 -18.792  -7.146   8.833
  989    H    ARG  26           HN       ARG  26 -19.460  -5.905   6.233
  990    HA   ARG  26           HA       ARG  26 -22.204  -5.705   6.337
  991   1HB   ARG  26          HB2       ARG  26 -20.875  -4.140   5.053
  992   2HB   ARG  26          HB1       ARG  26 -20.306  -5.422   3.985
  993   1HG   ARG  26          HG2       ARG  26 -21.908  -4.474   2.670
  994   2HG   ARG  26          HG1       ARG  26 -22.884  -5.686   3.494
  995   1HD   ARG  26          HD2       ARG  26 -22.602  -2.851   4.459
  996   2HD   ARG  26          HD1       ARG  26 -23.894  -3.386   3.384
  997    HE   ARG  26           HE       ARG  26 -23.885  -5.079   5.593
  998   1HH1  ARG  26          HH11      ARG  26 -24.452  -1.719   4.881
  999   2HH1  ARG  26          HH12      ARG  26 -25.578  -1.499   6.178
 1000   1HH2  ARG  26          HH21      ARG  26 -25.366  -4.804   7.305
 1001   2HH2  ARG  26          HH22      ARG  26 -26.097  -3.254   7.559
 1002    H    GLU  27           HN       GLU  27 -20.232  -7.670   4.166
 1003    HA   GLU  27           HA       GLU  27 -22.523  -9.229   3.310
 1004   1HB   GLU  27          HB2       GLU  27 -19.584  -9.589   2.691
 1005   2HB   GLU  27          HB1       GLU  27 -20.911 -10.419   1.890
 1006   1HG   GLU  27          HG2       GLU  27 -20.379  -7.459   1.836
 1007   2HG   GLU  27          HG1       GLU  27 -20.076  -8.602   0.527
 1008    H    GLY  28           HN       GLY  28 -22.612 -11.556   3.476
 1009   1HA   GLY  28          HA2       GLY  28 -22.312 -12.491   6.105
 1010   2HA   GLY  28          HA1       GLY  28 -22.680 -13.486   4.709
 1011    H    ARG  29           HN       ARG  29 -20.990 -14.486   3.570
 1012    HA   ARG  29           HA       ARG  29 -19.112 -15.786   4.986
 1013   1HB   ARG  29          HB2       ARG  29 -19.554 -16.418   2.718
 1014   2HB   ARG  29          HB1       ARG  29 -18.940 -14.888   2.111
 1015   1HG   ARG  29          HG2       ARG  29 -16.682 -15.496   2.815
 1016   2HG   ARG  29          HG1       ARG  29 -17.293 -17.018   3.469
 1017   1HD   ARG  29          HD2       ARG  29 -17.582 -16.210   0.583
 1018   2HD   ARG  29          HD1       ARG  29 -16.220 -17.152   1.194
 1019    HE   ARG  29           HE       ARG  29 -18.578 -18.423   1.986
 1020   1HH1  ARG  29          HH11      ARG  29 -16.851 -17.664  -0.942
 1021   2HH1  ARG  29          HH12      ARG  29 -17.441 -19.048  -1.802
 1022   1HH2  ARG  29          HH21      ARG  29 -19.359 -20.250   0.863
 1023   2HH2  ARG  29          HH22      ARG  29 -18.867 -20.517  -0.778
 1024    H    LYS  30           HN       LYS  30 -16.730 -15.691   4.963
 1025    HA   LYS  30           HA       LYS  30 -15.828 -12.967   5.573
 1026   1HB   LYS  30          HB2       LYS  30 -14.384 -15.570   6.103
 1027   2HB   LYS  30          HB1       LYS  30 -14.032 -13.994   6.798
 1028   1HG   LYS  30          HG2       LYS  30 -16.157 -14.036   8.001
 1029   2HG   LYS  30          HG1       LYS  30 -16.518 -15.617   7.305
 1030   1HD   LYS  30          HD2       LYS  30 -15.638 -15.786   9.597
 1031   2HD   LYS  30          HD1       LYS  30 -14.588 -16.579   8.419
 1032   1HE   LYS  30          HE2       LYS  30 -13.123 -14.625   8.406
 1033   2HE   LYS  30          HE1       LYS  30 -14.178 -13.819   9.568
 1034   1HZ   LYS  30          HZ1       LYS  30 -12.693 -16.346  10.056
 1035   2HZ   LYS  30          HZ2       LYS  30 -13.684 -15.550  11.172
 1036   3HZ   LYS  30          HZ3       LYS  30 -12.254 -14.820  10.642
 1037    H    GLY  31           HN       GLY  31 -16.061 -13.034   3.024
 1038   1HA   GLY  31          HA2       GLY  31 -13.492 -13.910   1.828
 1039   2HA   GLY  31          HA1       GLY  31 -14.970 -13.577   0.926
 1040    H    SER  32           HN       SER  32 -15.697 -11.354   0.838
 1041    HA   SER  32           HA       SER  32 -13.609  -9.405   1.443
 1042   1HB   SER  32          HB2       SER  32 -13.098  -9.862  -0.807
 1043   2HB   SER  32          HB1       SER  32 -14.784  -9.910  -1.279
 1044    HG   SER  32           HG       SER  32 -14.712  -7.837  -1.560
 1045    H    LEU  33           HN       LEU  33 -14.285  -7.232   1.045
 1046    HA   LEU  33           HA       LEU  33 -17.102  -6.857   1.680
 1047   1HB   LEU  33          HB2       LEU  33 -16.029  -4.379   1.882
 1048   2HB   LEU  33          HB1       LEU  33 -16.258  -5.444   3.226
 1049    HG   LEU  33           HG       LEU  33 -13.748  -5.176   1.675
 1050   1HD1  LEU  33          HD11      LEU  33 -13.924  -3.151   2.762
 1051   2HD1  LEU  33          HD12      LEU  33 -13.085  -4.123   3.933
 1052   3HD1  LEU  33          HD13      LEU  33 -14.794  -3.855   4.118
 1053   1HD2  LEU  33          HD21      LEU  33 -14.086  -6.403   4.379
 1054   2HD2  LEU  33          HD22      LEU  33 -12.652  -6.397   3.370
 1055   3HD2  LEU  33          HD23      LEU  33 -14.038  -7.349   2.910
 1056    H    ASN  34           HN       ASN  34 -18.119  -5.066   0.521
 1057    HA   ASN  34           HA       ASN  34 -17.090  -5.063  -2.210
 1058   1HB   ASN  34          HB2       ASN  34 -19.836  -5.405  -1.133
 1059   2HB   ASN  34          HB1       ASN  34 -19.646  -4.656  -2.723
 1060   1HD2  ASN  34          HD21      ASN  34 -20.613  -6.359  -3.786
 1061   2HD2  ASN  34          HD22      ASN  34 -19.849  -7.897  -3.974
 1062    H    ILE  35           HN       ILE  35 -19.804  -3.105  -1.621
 1063    HA   ILE  35           HA       ILE  35 -18.156  -0.821  -1.095
 1064    HB   ILE  35           HB       ILE  35 -19.596   0.325  -3.049
 1065   1HG1  ILE  35          HG12      ILE  35 -19.500  -1.084  -5.043
 1066   2HG1  ILE  35          HG11      ILE  35 -18.803  -2.402  -4.109
 1067   1HG2  ILE  35          HG21      ILE  35 -17.544   0.834  -3.797
 1068   2HG2  ILE  35          HG22      ILE  35 -17.092  -0.848  -4.002
 1069   3HG2  ILE  35          HG23      ILE  35 -16.973  -0.091  -2.420
 1070   1HD1  ILE  35          HD11      ILE  35 -20.955  -3.092  -4.180
 1071   2HD1  ILE  35          HD12      ILE  35 -21.600  -1.454  -4.266
 1072   3HD1  ILE  35          HD13      ILE  35 -21.037  -2.099  -2.725
 1073    H    ASN  36           HN       ASN  36 -20.227  -2.218   0.324
 1074    HA   ASN  36           HA       ASN  36 -22.456  -0.381   0.381
 1075   1HB   ASN  36          HB2       ASN  36 -21.766  -2.608   2.309
 1076   2HB   ASN  36          HB1       ASN  36 -23.301  -1.756   2.212
 1077   1HD2  ASN  36          HD21      ASN  36 -24.714  -2.206   0.539
 1078   2HD2  ASN  36          HD22      ASN  36 -24.548  -3.604  -0.462
 1079    H    GLU  37           HN       GLU  37 -20.177  -1.508   2.893
 1080    HA   GLU  37           HA       GLU  37 -20.519   0.969   4.273
 1081   1HB   GLU  37          HB2       GLU  37 -18.195  -0.806   4.776
 1082   2HB   GLU  37          HB1       GLU  37 -19.067   0.201   5.901
 1083   1HG   GLU  37          HG2       GLU  37 -21.043  -1.330   5.497
 1084   2HG   GLU  37          HG1       GLU  37 -19.897  -2.431   4.727
 1085    H    PHE  38           HN       PHE  38 -18.451  -0.069   1.665
 1086    HA   PHE  38           HA       PHE  38 -16.312   1.667   1.892
 1087   1HB   PHE  38          HB2       PHE  38 -16.780   0.024  -0.019
 1088   2HB   PHE  38          HB1       PHE  38 -17.865   1.228  -0.693
 1089    HD1  PHE  38           HD1      PHE  38 -16.431   3.704  -0.576
 1090    HD2  PHE  38           HD2      PHE  38 -14.935  -0.207  -1.237
 1091    HE1  PHE  38           HE1      PHE  38 -14.496   4.655  -1.753
 1092    HE2  PHE  38           HE2      PHE  38 -12.993   0.725  -2.419
 1093    HZ   PHE  38           HZ       PHE  38 -12.771   3.163  -2.680
 1094    H    LYS  39           HN       LYS  39 -19.682   2.135   1.109
 1095    HA   LYS  39           HA       LYS  39 -19.742   4.726   0.174
 1096   1HB   LYS  39          HB2       LYS  39 -21.764   3.430   1.985
 1097   2HB   LYS  39          HB1       LYS  39 -22.069   4.773   0.890
 1098   1HG   LYS  39          HG2       LYS  39 -20.921   2.453  -0.401
 1099   2HG   LYS  39          HG1       LYS  39 -22.474   2.118   0.361
 1100   1HD   LYS  39          HD2       LYS  39 -21.956   4.383  -1.559
 1101   2HD   LYS  39          HD1       LYS  39 -22.681   2.835  -1.997
 1102   1HE   LYS  39          HE2       LYS  39 -24.489   3.267  -0.367
 1103   2HE   LYS  39          HE1       LYS  39 -23.785   4.851  -0.046
 1104   1HZ   LYS  39          HZ1       LYS  39 -24.796   3.921  -2.679
 1105   2HZ   LYS  39          HZ2       LYS  39 -24.152   5.450  -2.351
 1106   3HZ   LYS  39          HZ3       LYS  39 -25.608   4.974  -1.635
 1107    H    GLU  40           HN       GLU  40 -19.069   3.579   3.296
 1108    HA   GLU  40           HA       GLU  40 -19.538   6.062   4.652
 1109   1HB   GLU  40          HB2       GLU  40 -18.941   4.940   6.602
 1110   2HB   GLU  40          HB1       GLU  40 -19.554   3.619   5.613
 1111   1HG   GLU  40          HG2       GLU  40 -17.004   3.463   4.913
 1112   2HG   GLU  40          HG1       GLU  40 -16.784   4.216   6.489
 1113    H    LEU  41           HN       LEU  41 -17.294   5.214   2.393
 1114    HA   LEU  41           HA       LEU  41 -14.940   6.204   3.677
 1115   1HB   LEU  41          HB2       LEU  41 -15.474   5.455   0.825
 1116   2HB   LEU  41          HB1       LEU  41 -13.912   5.945   1.426
 1117    HG   LEU  41           HG       LEU  41 -15.283   3.377   1.537
 1118   1HD1  LEU  41          HD11      LEU  41 -13.383   2.984   0.463
 1119   2HD1  LEU  41          HD12      LEU  41 -12.581   3.062   2.033
 1120   3HD1  LEU  41          HD13      LEU  41 -12.672   4.500   1.019
 1121   1HD2  LEU  41          HD21      LEU  41 -13.679   4.285   3.933
 1122   2HD2  LEU  41          HD22      LEU  41 -14.274   2.651   3.644
 1123   3HD2  LEU  41          HD23      LEU  41 -15.413   3.966   3.924
 1124    H    ALA  42           HN       ALA  42 -15.912   7.174   0.434
 1125    HA   ALA  42           HA       ALA  42 -14.855   9.693   0.516
 1126   1HB   ALA  42          HB1       ALA  42 -16.794  10.268  -1.123
 1127   2HB   ALA  42          HB2       ALA  42 -17.109   8.539  -1.019
 1128   3HB   ALA  42          HB3       ALA  42 -15.544   9.114  -1.575
 1129    H    THR  43           HN       THR  43 -17.803   8.589   1.904
 1130    HA   THR  43           HA       THR  43 -19.072  10.998   2.397
 1131    HB   THR  43           HB       THR  43 -20.040   9.690   4.430
 1132    HG1  THR  43           HG1      THR  43 -18.936   7.521   2.949
 1133   1HG2  THR  43          HG21      THR  43 -20.365   8.842   1.562
 1134   2HG2  THR  43          HG22      THR  43 -21.291  10.075   2.413
 1135   3HG2  THR  43          HG23      THR  43 -21.464   8.377   2.857
 1136    H    GLN  44           HN       GLN  44 -17.201   9.075   4.719
 1137    HA   GLN  44           HA       GLN  44 -16.784  11.348   6.478
 1138   1HB   GLN  44          HB2       GLN  44 -17.204   9.209   7.492
 1139   2HB   GLN  44          HB1       GLN  44 -15.931   8.448   6.535
 1140   1HG   GLN  44          HG2       GLN  44 -14.257   9.771   7.746
 1141   2HG   GLN  44          HG1       GLN  44 -15.538  10.515   8.702
 1142   1HE2  GLN  44          HE21      GLN  44 -16.601   9.298  10.267
 1143   2HE2  GLN  44          HE22      GLN  44 -15.960   7.807  10.861
 1144    H    GLN  45           HN       GLN  45 -15.148   9.780   3.936
 1145    HA   GLN  45           HA       GLN  45 -12.470  10.623   4.549
 1146   1HB   GLN  45          HB2       GLN  45 -13.786   9.384   2.149
 1147   2HB   GLN  45          HB1       GLN  45 -12.067   9.759   2.240
 1148   1HG   GLN  45          HG2       GLN  45 -12.462   8.366   4.539
 1149   2HG   GLN  45          HG1       GLN  45 -13.586   7.580   3.440
 1150   1HE2  GLN  45          HE21      GLN  45 -11.918   8.198   1.092
 1151   2HE2  GLN  45          HE22      GLN  45 -10.582   7.110   1.157
 1152    H    LEU  46           HN       LEU  46 -15.142  11.695   2.407
 1153    HA   LEU  46           HA       LEU  46 -13.858  13.313   0.677
 1154   1HB   LEU  46          HB2       LEU  46 -15.804  14.941   0.756
 1155   2HB   LEU  46          HB1       LEU  46 -16.131  13.288   0.297
 1156    HG   LEU  46           HG       LEU  46 -16.799  13.041   2.817
 1157   1HD1  LEU  46          HD11      LEU  46 -16.025  15.523   3.125
 1158   2HD1  LEU  46          HD12      LEU  46 -17.472  14.935   3.943
 1159   3HD1  LEU  46          HD13      LEU  46 -17.620  15.885   2.465
 1160   1HD2  LEU  46          HD21      LEU  46 -18.521  14.461   0.801
 1161   2HD2  LEU  46          HD22      LEU  46 -19.092  13.556   2.205
 1162   3HD2  LEU  46          HD23      LEU  46 -18.262  12.719   0.894
 1163    HA   PRO  47           HA       PRO  47 -12.863  16.661   3.660
 1164   1HB   PRO  47          HB2       PRO  47 -13.376  16.086   6.372
 1165   2HB   PRO  47          HB1       PRO  47 -14.325  17.182   5.364
 1166   1HG   PRO  47          HG2       PRO  47 -15.234  14.784   6.474
 1167   2HG   PRO  47          HG1       PRO  47 -16.001  15.647   5.129
 1168   1HD   PRO  47          HD2       PRO  47 -14.098  13.334   5.056
 1169   2HD   PRO  47          HD1       PRO  47 -15.526  13.630   4.059
 1170    H    HIS  48           HN       HIS  48 -10.999  15.457   3.003
 1171    HA   HIS  48           HA       HIS  48  -9.607  14.120   5.188
 1172   1HB   HIS  48          HB2       HIS  48  -9.962  13.553   2.500
 1173   2HB   HIS  48          HB1       HIS  48  -8.246  13.988   2.655
 1174    HD1  HIS  48           HD1      HIS  48 -10.791  11.489   3.844
 1175    HD2  HIS  48           HD2      HIS  48  -6.687  12.115   4.043
 1176    HE1  HIS  48           HE1      HIS  48  -9.838   9.383   4.827
 1177    HE2  HIS  48           HE2      HIS  48  -7.363   9.813   5.007
 1178    H    LEU  49           HN       LEU  49  -7.003  14.569   4.031
 1179    HA   LEU  49           HA       LEU  49  -6.550  17.253   4.992
 1180   1HB   LEU  49          HB2       LEU  49  -4.695  15.122   3.919
 1181   2HB   LEU  49          HB1       LEU  49  -4.141  16.722   4.371
 1182    HG   LEU  49           HG       LEU  49  -3.672  15.210   6.171
 1183   1HD1  LEU  49          HD11      LEU  49  -4.382  17.461   6.791
 1184   2HD1  LEU  49          HD12      LEU  49  -4.879  16.276   7.999
 1185   3HD1  LEU  49          HD13      LEU  49  -6.059  16.918   6.856
 1186   1HD2  LEU  49          HD21      LEU  49  -6.614  14.545   6.179
 1187   2HD2  LEU  49          HD22      LEU  49  -5.399  13.933   7.302
 1188   3HD2  LEU  49          HD23      LEU  49  -5.326  13.491   5.596
 1189    H    LEU  50           HN       LEU  50  -5.038  15.806   2.151
 1190    HA   LEU  50           HA       LEU  50  -5.546  18.189   0.581
 1191   1HB   LEU  50          HB2       LEU  50  -3.342  17.014   0.594
 1192   2HB   LEU  50          HB1       LEU  50  -4.110  15.648  -0.193
 1193    HG   LEU  50           HG       LEU  50  -4.559  16.979  -2.171
 1194   1HD1  LEU  50          HD11      LEU  50  -3.727  19.283  -2.352
 1195   2HD1  LEU  50          HD12      LEU  50  -3.292  19.248  -0.643
 1196   3HD1  LEU  50          HD13      LEU  50  -4.983  19.125  -1.125
 1197   1HD2  LEU  50          HD21      LEU  50  -2.376  15.874  -1.965
 1198   2HD2  LEU  50          HD22      LEU  50  -1.711  17.343  -1.249
 1199   3HD2  LEU  50          HD23      LEU  50  -2.283  17.355  -2.917
 1200    H    LYS  51           HN       LYS  51  -7.668  16.040   1.337
 1201    HA   LYS  51           HA       LYS  51  -8.544  14.451  -0.618
 1202   1HB   LYS  51          HB2       LYS  51  -9.667  15.280   1.628
 1203   2HB   LYS  51          HB1       LYS  51 -10.611  16.242   0.524
 1204   1HG   LYS  51          HG2       LYS  51 -11.597  14.017   1.200
 1205   2HG   LYS  51          HG1       LYS  51 -11.529  14.346  -0.529
 1206   1HD   LYS  51          HD2       LYS  51  -9.810  12.842  -0.858
 1207   2HD   LYS  51          HD1       LYS  51  -9.366  12.805   0.847
 1208   1HE   LYS  51          HE2       LYS  51 -11.488  11.681   1.361
 1209   2HE   LYS  51          HE1       LYS  51 -11.913  11.707  -0.344
 1210   1HZ   LYS  51          HZ1       LYS  51 -10.637   9.690   0.913
 1211   2HZ   LYS  51          HZ2       LYS  51  -9.348  10.517   0.195
 1212   3HZ   LYS  51          HZ3       LYS  51 -10.624   9.950  -0.758
 1213    H    ASP  52           HN       ASP  52 -10.351  14.656  -2.067
 1214    HA   ASP  52           HA       ASP  52 -10.284  17.153  -3.621
 1215   1HB   ASP  52          HB2       ASP  52 -10.453  14.298  -4.616
 1216   2HB   ASP  52          HB1       ASP  52 -10.683  15.717  -5.637
 1217    H    VAL  53           HN       VAL  53 -12.103  15.953  -1.450
 1218    HA   VAL  53           HA       VAL  53 -14.315  15.676  -1.011
 1219    HB   VAL  53           HB       VAL  53 -14.328  18.046  -1.272
 1220   1HG1  VAL  53          HG11      VAL  53 -14.838  19.123  -3.450
 1221   2HG1  VAL  53          HG12      VAL  53 -14.624  17.557  -4.229
 1222   3HG1  VAL  53          HG13      VAL  53 -13.269  18.321  -3.400
 1223   1HG2  VAL  53          HG21      VAL  53 -16.679  16.816  -2.704
 1224   2HG2  VAL  53          HG22      VAL  53 -16.643  18.445  -2.030
 1225   3HG2  VAL  53          HG23      VAL  53 -16.505  17.047  -0.964
 1226    H    GLY  54           HN       GLY  54 -14.326  13.558  -1.884
 1227   1HA   GLY  54          HA2       GLY  54 -14.861  12.660  -4.381
 1228   2HA   GLY  54          HA1       GLY  54 -15.523  11.905  -2.942
 1229    H    SER  55           HN       SER  55 -16.275  13.063  -5.850
 1230    HA   SER  55           HA       SER  55 -18.764  14.372  -5.242
 1231   1HB   SER  55          HB2       SER  55 -18.926  14.732  -7.545
 1232   2HB   SER  55          HB1       SER  55 -17.178  14.681  -7.273
 1233    HG   SER  55           HG       SER  55 -18.220  13.335  -9.050
 1234    H    LEU  56           HN       LEU  56 -20.840  13.494  -5.589
 1235    HA   LEU  56           HA       LEU  56 -21.273  10.925  -4.734
 1236   1HB   LEU  56          HB2       LEU  56 -22.982  12.707  -6.460
 1237   2HB   LEU  56          HB1       LEU  56 -23.543  11.147  -5.891
 1238    HG   LEU  56           HG       LEU  56 -22.651  13.369  -4.054
 1239   1HD1  LEU  56          HD11      LEU  56 -24.608  14.076  -5.327
 1240   2HD1  LEU  56          HD12      LEU  56 -25.026  13.764  -3.643
 1241   3HD1  LEU  56          HD13      LEU  56 -25.442  12.585  -4.886
 1242   1HD2  LEU  56          HD21      LEU  56 -22.542  11.030  -3.198
 1243   2HD2  LEU  56          HD22      LEU  56 -24.275  10.894  -3.491
 1244   3HD2  LEU  56          HD23      LEU  56 -23.669  12.066  -2.322
 1245    H    ASP  57           HN       ASP  57 -21.210  12.009  -8.132
 1246    HA   ASP  57           HA       ASP  57 -21.793   9.618  -9.344
 1247   1HB   ASP  57          HB2       ASP  57 -20.024  11.865 -10.183
 1248   2HB   ASP  57          HB1       ASP  57 -20.175  10.408 -11.160
 1249    H    GLU  58           HN       GLU  58 -18.615  10.835  -8.651
 1250    HA   GLU  58           HA       GLU  58 -17.103   8.629  -9.396
 1251   1HB   GLU  58          HB2       GLU  58 -16.663  10.769  -7.317
 1252   2HB   GLU  58          HB1       GLU  58 -15.511   9.456  -7.514
 1253   1HG   GLU  58          HG2       GLU  58 -14.848  11.472  -8.739
 1254   2HG   GLU  58          HG1       GLU  58 -15.088  10.083  -9.796
 1255    H    LYS  59           HN       LYS  59 -18.466   9.503  -6.275
 1256    HA   LYS  59           HA       LYS  59 -17.711   7.225  -4.880
 1257   1HB   LYS  59          HB2       LYS  59 -20.115   9.004  -4.460
 1258   2HB   LYS  59          HB1       LYS  59 -19.477   7.869  -3.274
 1259   1HG   LYS  59          HG2       LYS  59 -17.662   9.156  -2.811
 1260   2HG   LYS  59          HG1       LYS  59 -17.652   9.932  -4.392
 1261   1HD   LYS  59          HD2       LYS  59 -18.291  11.509  -2.666
 1262   2HD   LYS  59          HD1       LYS  59 -19.648  11.210  -3.748
 1263   1HE   LYS  59          HE2       LYS  59 -20.520   9.572  -2.098
 1264   2HE   LYS  59          HE1       LYS  59 -19.215  10.040  -1.010
 1265   1HZ   LYS  59          HZ1       LYS  59 -21.241  11.927  -2.072
 1266   2HZ   LYS  59          HZ2       LYS  59 -20.077  12.244  -0.888
 1267   3HZ   LYS  59          HZ3       LYS  59 -21.345  11.175  -0.561
 1268    H    MET  60           HN       MET  60 -20.223   7.776  -7.164
 1269    HA   MET  60           HA       MET  60 -21.739   5.426  -6.451
 1270   1HB   MET  60          HB2       MET  60 -21.940   7.475  -8.645
 1271   2HB   MET  60          HB1       MET  60 -22.918   6.011  -8.675
 1272   1HG   MET  60          HG2       MET  60 -23.913   6.597  -6.542
 1273   2HG   MET  60          HG1       MET  60 -22.899   8.036  -6.448
 1274   1HE   MET  60          HE1       MET  60 -26.516   9.459  -7.078
 1275   2HE   MET  60          HE2       MET  60 -25.140   9.419  -5.977
 1276   3HE   MET  60          HE3       MET  60 -26.145   7.985  -6.186
 1277    H    LYS  61           HN       LYS  61 -19.797   6.377  -9.270
 1278    HA   LYS  61           HA       LYS  61 -20.017   3.863 -10.549
 1279   1HB   LYS  61          HB2       LYS  61 -19.562   5.575 -11.976
 1280   2HB   LYS  61          HB1       LYS  61 -18.313   6.279 -10.960
 1281   1HG   LYS  61          HG2       LYS  61 -16.941   4.221 -11.529
 1282   2HG   LYS  61          HG1       LYS  61 -18.152   3.884 -12.767
 1283   1HD   LYS  61          HD2       LYS  61 -17.732   6.214 -13.643
 1284   2HD   LYS  61          HD1       LYS  61 -16.353   6.292 -12.546
 1285   1HE   LYS  61          HE2       LYS  61 -15.595   5.639 -14.740
 1286   2HE   LYS  61          HE1       LYS  61 -15.421   4.279 -13.631
 1287   1HZ   LYS  61          HZ1       LYS  61 -17.636   4.653 -15.574
 1288   2HZ   LYS  61          HZ2       LYS  61 -17.472   3.348 -14.511
 1289   3HZ   LYS  61          HZ3       LYS  61 -16.341   3.577 -15.748
 1290    H    THR  62           HN       THR  62 -17.078   5.343  -9.141
 1291    HA   THR  62           HA       THR  62 -15.467   3.138  -9.175
 1292    HB   THR  62           HB       THR  62 -15.628   5.196  -6.966
 1293    HG1  THR  62           HG1      THR  62 -15.182   5.963  -9.118
 1294   1HG2  THR  62          HG21      THR  62 -13.384   3.298  -7.669
 1295   2HG2  THR  62          HG22      THR  62 -14.407   3.194  -6.237
 1296   3HG2  THR  62          HG23      THR  62 -13.320   4.567  -6.445
 1297    H    LEU  63           HN       LEU  63 -18.183   3.774  -7.143
 1298    HA   LEU  63           HA       LEU  63 -17.948   2.095  -5.040
 1299   1HB   LEU  63          HB2       LEU  63 -19.875   3.597  -5.966
 1300   2HB   LEU  63          HB1       LEU  63 -20.484   2.096  -6.614
 1301    HG   LEU  63           HG       LEU  63 -19.817   2.118  -3.727
 1302   1HD1  LEU  63          HD11      LEU  63 -21.093   3.856  -3.207
 1303   2HD1  LEU  63          HD12      LEU  63 -22.472   3.015  -3.915
 1304   3HD1  LEU  63          HD13      LEU  63 -21.505   4.110  -4.902
 1305   1HD2  LEU  63          HD21      LEU  63 -22.352   1.159  -4.976
 1306   2HD2  LEU  63          HD22      LEU  63 -21.460   0.507  -3.602
 1307   3HD2  LEU  63          HD23      LEU  63 -20.865   0.253  -5.241
 1308    H    ASP  64           HN       ASP  64 -19.662   1.088  -8.001
 1309    HA   ASP  64           HA       ASP  64 -19.496  -1.674  -7.410
 1310   1HB   ASP  64          HB2       ASP  64 -21.171  -0.500  -8.926
 1311   2HB   ASP  64          HB1       ASP  64 -19.886  -0.476 -10.131
 1312    H    VAL  65           HN       VAL  65 -17.166   0.480  -8.608
 1313    HA   VAL  65           HA       VAL  65 -15.745  -1.435 -10.234
 1314    HB   VAL  65           HB       VAL  65 -14.884   1.291  -9.259
 1315   1HG1  VAL  65          HG11      VAL  65 -13.705  -0.466 -11.408
 1316   2HG1  VAL  65          HG12      VAL  65 -12.988  -0.143  -9.830
 1317   3HG1  VAL  65          HG13      VAL  65 -13.177   1.167 -10.997
 1318   1HG2  VAL  65          HG21      VAL  65 -16.033   0.433 -11.914
 1319   2HG2  VAL  65          HG22      VAL  65 -15.445   2.047 -11.518
 1320   3HG2  VAL  65          HG23      VAL  65 -16.857   1.395 -10.689
 1321    H    ASN  66           HN       ASN  66 -15.035   0.296  -7.215
 1322    HA   ASN  66           HA       ASN  66 -12.798  -1.417  -6.634
 1323   1HB   ASN  66          HB2       ASN  66 -14.063   0.875  -5.154
 1324   2HB   ASN  66          HB1       ASN  66 -12.646  -0.007  -4.578
 1325   1HD2  ASN  66          HD21      ASN  66 -11.294   1.774  -4.694
 1326   2HD2  ASN  66          HD22      ASN  66 -10.759   2.440  -6.196
 1327    H    GLN  67           HN       GLN  67 -15.798  -2.351  -6.407
 1328    HA   GLN  67           HA       GLN  67 -16.553  -2.800  -3.847
 1329   1HB   GLN  67          HB2       GLN  67 -17.650  -4.842  -4.525
 1330   2HB   GLN  67          HB1       GLN  67 -17.900  -3.552  -5.680
 1331   1HG   GLN  67          HG2       GLN  67 -16.247  -6.031  -5.961
 1332   2HG   GLN  67          HG1       GLN  67 -17.623  -5.477  -6.925
 1333   1HE2  GLN  67          HE21      GLN  67 -14.585  -6.079  -7.308
 1334   2HE2  GLN  67          HE22      GLN  67 -14.080  -4.776  -8.322
 1335    H    ASP  68           HN       ASP  68 -14.414  -5.098  -5.540
 1336    HA   ASP  68           HA       ASP  68 -13.908  -6.500  -3.096
 1337   1HB   ASP  68          HB2       ASP  68 -12.706  -6.845  -5.848
 1338   2HB   ASP  68          HB1       ASP  68 -12.460  -7.933  -4.486
 1339    H    SER  69           HN       SER  69 -12.862  -3.606  -4.115
 1340    HA   SER  69           HA       SER  69 -10.049  -3.691  -4.107
 1341   1HB   SER  69          HB2       SER  69 -11.871  -1.479  -3.175
 1342   2HB   SER  69          HB1       SER  69 -10.147  -1.328  -3.491
 1343    HG   SER  69           HG       SER  69 -10.560  -1.927  -5.654
 1344    H    GLU  70           HN       GLU  70 -12.329  -4.098  -1.672
 1345    HA   GLU  70           HA       GLU  70 -10.264  -4.197   0.402
 1346   1HB   GLU  70          HB2       GLU  70 -12.354  -3.944   1.837
 1347   2HB   GLU  70          HB1       GLU  70 -11.788  -2.512   1.010
 1348   1HG   GLU  70          HG2       GLU  70 -13.793  -4.257  -0.317
 1349   2HG   GLU  70          HG1       GLU  70 -14.334  -3.172   0.963
 1350    H    LEU  71           HN       LEU  71  -9.890  -6.347   0.919
 1351    HA   LEU  71           HA       LEU  71 -12.219  -8.015   1.144
 1352   1HB   LEU  71          HB2       LEU  71 -11.346  -9.844  -0.142
 1353   2HB   LEU  71          HB1       LEU  71 -11.698  -8.425  -1.105
 1354    HG   LEU  71           HG       LEU  71  -9.738  -9.407  -1.848
 1355   1HD1  LEU  71          HD11      LEU  71  -9.978  -6.836  -1.338
 1356   2HD1  LEU  71          HD12      LEU  71  -8.553  -7.494  -2.100
 1357   3HD1  LEU  71          HD13      LEU  71  -8.551  -7.183  -0.372
 1358   1HD2  LEU  71          HD21      LEU  71  -7.811  -9.909  -0.585
 1359   2HD2  LEU  71          HD22      LEU  71  -9.203 -10.670   0.171
 1360   3HD2  LEU  71          HD23      LEU  71  -8.533  -9.198   0.842
 1361    H    ARG  72           HN       ARG  72 -11.819 -10.184   1.754
 1362    HA   ARG  72           HA       ARG  72  -9.735 -10.373   3.811
 1363   1HB   ARG  72          HB2       ARG  72 -12.129 -12.093   3.969
 1364   2HB   ARG  72          HB1       ARG  72 -11.270 -11.260   5.257
 1365   1HG   ARG  72          HG2       ARG  72 -13.411 -10.234   3.436
 1366   2HG   ARG  72          HG1       ARG  72 -13.405 -10.304   5.200
 1367   1HD   ARG  72          HD2       ARG  72 -12.225  -8.311   3.348
 1368   2HD   ARG  72          HD1       ARG  72 -12.960  -8.100   4.941
 1369    HE   ARG  72           HE       ARG  72 -10.170  -8.572   4.400
 1370   1HH1  ARG  72          HH11      ARG  72 -12.718  -8.701   6.771
 1371   2HH1  ARG  72          HH12      ARG  72 -11.640  -8.596   8.123
 1372   1HH2  ARG  72          HH21      ARG  72  -8.743  -8.436   6.171
 1373   2HH2  ARG  72          HH22      ARG  72  -9.380  -8.445   7.781
 1374    H    PHE  73           HN       PHE  73 -10.777 -11.580   0.812
 1375    HA   PHE  73           HA       PHE  73  -9.595 -14.146   1.396
 1376   1HB   PHE  73          HB2       PHE  73 -10.922 -15.176  -0.304
 1377   2HB   PHE  73          HB1       PHE  73 -11.955 -14.294   0.771
 1378    HD1  PHE  73           HD1      PHE  73 -11.891 -15.396  -2.271
 1379    HD2  PHE  73           HD2      PHE  73 -12.095 -11.571  -0.414
 1380    HE1  PHE  73           HE1      PHE  73 -12.965 -14.485  -4.269
 1381    HE2  PHE  73           HE2      PHE  73 -13.143 -10.647  -2.439
 1382    HZ   PHE  73           HZ       PHE  73 -13.600 -12.111  -4.357
 1383    H    SER  74           HN       SER  74  -9.840 -14.004  -1.865
 1384    HA   SER  74           HA       SER  74  -7.034 -13.340  -2.026
 1385   1HB   SER  74          HB2       SER  74  -7.200 -14.514  -4.321
 1386   2HB   SER  74          HB1       SER  74  -7.183 -15.500  -2.858
 1387    HG   SER  74           HG       SER  74  -9.369 -14.829  -4.516
 1388    H    GLU  75           HN       GLU  75  -9.664 -11.665  -2.424
 1389    HA   GLU  75           HA       GLU  75  -9.174 -10.618  -5.071
 1390   1HB   GLU  75          HB2       GLU  75 -11.110 -10.108  -2.874
 1391   2HB   GLU  75          HB1       GLU  75 -10.746  -8.736  -3.905
 1392   1HG   GLU  75          HG2       GLU  75 -11.644 -11.385  -4.966
 1393   2HG   GLU  75          HG1       GLU  75 -12.766 -10.110  -4.472
 1394    H    TYR  76           HN       TYR  76  -7.319 -10.474  -2.402
 1395    HA   TYR  76           HA       TYR  76  -6.893  -7.946  -1.670
 1396   1HB   TYR  76          HB2       TYR  76  -5.171 -10.301  -1.732
 1397   2HB   TYR  76          HB1       TYR  76  -4.335  -8.761  -1.577
 1398    HD1  TYR  76           HD1      TYR  76  -6.713  -7.505   0.037
 1399    HD2  TYR  76           HD2      TYR  76  -4.514 -11.096   0.430
 1400    HE1  TYR  76           HE1      TYR  76  -7.258  -7.534   2.391
 1401    HE2  TYR  76           HE2      TYR  76  -5.056 -11.186   2.803
 1402    HH   TYR  76           HH       TYR  76  -5.681  -9.540   4.612
 1403    H    TRP  77           HN       TRP  77  -5.952  -9.257  -4.738
 1404    HA   TRP  77           HA       TRP  77  -4.166  -7.185  -5.513
 1405   1HB   TRP  77          HB2       TRP  77  -4.713  -7.776  -7.841
 1406   2HB   TRP  77          HB1       TRP  77  -4.427  -9.225  -6.899
 1407    HD1  TRP  77           HD1      TRP  77  -7.410  -7.086  -8.021
 1408    HE1  TRP  77           HE1      TRP  77  -9.392  -8.619  -8.496
 1409    HE3  TRP  77           HE3      TRP  77  -5.322 -11.531  -6.686
 1410    HZ2  TRP  77           HZ2      TRP  77 -10.014 -11.381  -8.311
 1411    HZ3  TRP  77           HZ3      TRP  77  -6.664 -13.569  -6.844
 1412    HH2  TRP  77           HH2      TRP  77  -8.954 -13.494  -7.624
 1413    H    ARG  78           HN       ARG  78  -7.509  -7.112  -4.875
 1414    HA   ARG  78           HA       ARG  78  -8.146  -4.967  -6.572
 1415   1HB   ARG  78          HB2       ARG  78  -9.627  -6.073  -4.194
 1416   2HB   ARG  78          HB1       ARG  78 -10.319  -4.942  -5.356
 1417   1HG   ARG  78          HG2       ARG  78  -9.209  -7.510  -6.347
 1418   2HG   ARG  78          HG1       ARG  78 -10.758  -7.514  -5.506
 1419   1HD   ARG  78          HD2       ARG  78 -11.170  -7.291  -7.859
 1420   2HD   ARG  78          HD1       ARG  78 -11.557  -5.763  -7.072
 1421    HE   ARG  78           HE       ARG  78  -8.887  -5.855  -8.107
 1422   1HH1  ARG  78          HH11      ARG  78 -12.222  -5.242  -8.885
 1423   2HH1  ARG  78          HH12      ARG  78 -11.854  -4.205 -10.223
 1424   1HH2  ARG  78          HH21      ARG  78  -8.388  -4.494  -9.866
 1425   2HH2  ARG  78          HH22      ARG  78  -9.674  -3.780 -10.782
 1426    H    LEU  79           HN       LEU  79  -6.940  -5.304  -3.271
 1427    HA   LEU  79           HA       LEU  79  -7.270  -2.552  -2.567
 1428   1HB   LEU  79          HB2       LEU  79  -4.928  -3.909  -1.438
 1429   2HB   LEU  79          HB1       LEU  79  -6.180  -3.002  -0.628
 1430    HG   LEU  79           HG       LEU  79  -6.578  -5.851  -1.529
 1431   1HD1  LEU  79          HD11      LEU  79  -6.037  -5.808   1.204
 1432   2HD1  LEU  79          HD12      LEU  79  -4.800  -4.767   0.499
 1433   3HD1  LEU  79          HD13      LEU  79  -4.988  -6.424  -0.070
 1434   1HD2  LEU  79          HD21      LEU  79  -8.645  -5.159  -0.845
 1435   2HD2  LEU  79          HD22      LEU  79  -8.003  -3.868   0.168
 1436   3HD2  LEU  79          HD23      LEU  79  -7.972  -5.536   0.738
 1437    H    ILE  80           HN       ILE  80  -5.142  -4.302  -4.572
 1438    HA   ILE  80           HA       ILE  80  -2.728  -3.155  -4.467
 1439    HB   ILE  80           HB       ILE  80  -3.760  -4.894  -6.112
 1440   1HG1  ILE  80          HG12      ILE  80  -1.358  -4.291  -5.914
 1441   2HG1  ILE  80          HG11      ILE  80  -1.824  -4.661  -7.571
 1442   1HG2  ILE  80          HG21      ILE  80  -5.294  -3.357  -7.222
 1443   2HG2  ILE  80          HG22      ILE  80  -4.139  -4.044  -8.364
 1444   3HG2  ILE  80          HG23      ILE  80  -3.935  -2.387  -7.793
 1445   1HD1  ILE  80          HD11      ILE  80  -1.275  -1.969  -6.367
 1446   2HD1  ILE  80          HD12      ILE  80  -2.028  -2.187  -7.946
 1447   3HD1  ILE  80          HD13      ILE  80  -0.396  -2.787  -7.656
 1448    H    GLY  81           HN       GLY  81  -5.542  -1.695  -6.101
 1449   1HA   GLY  81          HA2       GLY  81  -4.066   0.705  -6.742
 1450   2HA   GLY  81          HA1       GLY  81  -5.783   0.433  -7.002
 1451    H    GLU  82           HN       GLU  82  -5.827  -0.427  -4.030
 1452    HA   GLU  82           HA       GLU  82  -6.592   2.146  -3.000
 1453   1HB   GLU  82          HB2       GLU  82  -6.521  -0.516  -1.696
 1454   2HB   GLU  82          HB1       GLU  82  -7.293   0.908  -1.037
 1455   1HG   GLU  82          HG2       GLU  82  -8.468   0.711  -3.483
 1456   2HG   GLU  82          HG1       GLU  82  -8.253  -0.983  -3.034
 1457    H    LEU  83           HN       LEU  83  -4.266  -0.388  -2.088
 1458    HA   LEU  83           HA       LEU  83  -3.170   0.941   0.101
 1459   1HB   LEU  83          HB2       LEU  83  -2.280  -1.208  -1.723
 1460   2HB   LEU  83          HB1       LEU  83  -0.988  -0.332  -0.924
 1461    HG   LEU  83           HG       LEU  83  -3.265  -1.431   0.689
 1462   1HD1  LEU  83          HD11      LEU  83  -2.534  -3.322  -0.602
 1463   2HD1  LEU  83          HD12      LEU  83  -1.916  -3.473   1.044
 1464   3HD1  LEU  83          HD13      LEU  83  -0.845  -2.954  -0.258
 1465   1HD2  LEU  83          HD21      LEU  83  -1.715   0.102   1.768
 1466   2HD2  LEU  83          HD22      LEU  83  -0.352  -0.899   1.268
 1467   3HD2  LEU  83          HD23      LEU  83  -1.531  -1.526   2.419
 1468    H    ALA  84           HN       ALA  84  -2.948   1.535  -3.285
 1469    HA   ALA  84           HA       ALA  84  -0.734   3.351  -2.943
 1470   1HB   ALA  84          HB1       ALA  84  -2.536   2.916  -5.317
 1471   2HB   ALA  84          HB2       ALA  84  -0.947   2.192  -5.065
 1472   3HB   ALA  84          HB3       ALA  84  -1.097   3.933  -5.308
 1473    H    LYS  85           HN       LYS  85  -4.203   3.484  -3.035
 1474    HA   LYS  85           HA       LYS  85  -4.919   6.023  -3.498
 1475   1HB   LYS  85          HB2       LYS  85  -6.185   3.949  -2.363
 1476   2HB   LYS  85          HB1       LYS  85  -6.001   4.994  -0.960
 1477   1HG   LYS  85          HG2       LYS  85  -8.128   5.422  -1.982
 1478   2HG   LYS  85          HG1       LYS  85  -7.086   6.822  -2.229
 1479   1HD   LYS  85          HD2       LYS  85  -8.252   6.375  -4.277
 1480   2HD   LYS  85          HD1       LYS  85  -6.560   5.933  -4.503
 1481   1HE   LYS  85          HE2       LYS  85  -7.097   3.601  -4.143
 1482   2HE   LYS  85          HE1       LYS  85  -8.782   4.009  -3.830
 1483   1HZ   LYS  85          HZ1       LYS  85  -8.938   4.850  -6.109
 1484   2HZ   LYS  85          HZ2       LYS  85  -8.512   3.214  -6.078
 1485   3HZ   LYS  85          HZ3       LYS  85  -7.336   4.386  -6.399
 1486    H    GLU  86           HN       GLU  86  -3.049   4.928  -0.819
 1487    HA   GLU  86           HA       GLU  86  -3.112   7.485   0.515
 1488   1HB   GLU  86          HB2       GLU  86  -1.586   6.454   2.131
 1489   2HB   GLU  86          HB1       GLU  86  -2.973   5.408   1.850
 1490   1HG   GLU  86          HG2       GLU  86  -1.572   4.175   0.212
 1491   2HG   GLU  86          HG1       GLU  86  -0.187   5.078   0.811
 1492    H    VAL  87           HN       VAL  87  -0.733   5.494  -1.190
 1493    HA   VAL  87           HA       VAL  87   1.402   7.337  -0.968
 1494    HB   VAL  87           HB       VAL  87   1.540   4.832  -1.325
 1495   1HG1  VAL  87          HG11      VAL  87   0.066   5.049  -3.463
 1496   2HG1  VAL  87          HG12      VAL  87   1.380   3.882  -3.408
 1497   3HG1  VAL  87          HG13      VAL  87   1.600   5.418  -4.245
 1498   1HG2  VAL  87          HG21      VAL  87   3.456   6.305  -1.282
 1499   2HG2  VAL  87          HG22      VAL  87   3.230   6.665  -2.994
 1500   3HG2  VAL  87          HG23      VAL  87   3.671   5.034  -2.486
 1501    H    ARG  88           HN       ARG  88  -0.914   6.728  -3.567
 1502    HA   ARG  88           HA       ARG  88   0.290   7.948  -5.696
 1503   1HB   ARG  88          HB2       ARG  88  -2.202   6.934  -5.179
 1504   2HB   ARG  88          HB1       ARG  88  -2.545   8.628  -5.506
 1505   1HG   ARG  88          HG2       ARG  88  -1.413   8.463  -7.650
 1506   2HG   ARG  88          HG1       ARG  88  -1.008   6.778  -7.316
 1507   1HD   ARG  88          HD2       ARG  88  -2.940   6.917  -8.785
 1508   2HD   ARG  88          HD1       ARG  88  -3.395   6.229  -7.226
 1509    HE   ARG  88           HE       ARG  88  -3.848   8.979  -7.115
 1510   1HH1  ARG  88          HH11      ARG  88  -5.046   6.179  -8.803
 1511   2HH1  ARG  88          HH12      ARG  88  -6.640   6.825  -9.011
 1512   1HH2  ARG  88          HH21      ARG  88  -5.945   9.840  -7.383
 1513   2HH2  ARG  88          HH22      ARG  88  -7.150   8.907  -8.205
 1514    H    LYS  89           HN       LYS  89  -1.738   9.656  -3.335
 1515    HA   LYS  89           HA       LYS  89  -1.203  12.201  -4.619
 1516   1HB   LYS  89          HB2       LYS  89  -2.553  13.114  -2.692
 1517   2HB   LYS  89          HB1       LYS  89  -3.406  12.008  -3.757
 1518   1HG   LYS  89          HG2       LYS  89  -2.159  10.605  -1.504
 1519   2HG   LYS  89          HG1       LYS  89  -3.277  11.892  -1.010
 1520   1HD   LYS  89          HD2       LYS  89  -4.433   9.722  -1.332
 1521   2HD   LYS  89          HD1       LYS  89  -5.061  11.013  -2.336
 1522   1HE   LYS  89          HE2       LYS  89  -3.554  10.123  -4.176
 1523   2HE   LYS  89          HE1       LYS  89  -3.375   8.686  -3.173
 1524   1HZ   LYS  89          HZ1       LYS  89  -5.945   9.775  -4.186
 1525   2HZ   LYS  89          HZ2       LYS  89  -5.771   8.393  -3.227
 1526   3HZ   LYS  89          HZ3       LYS  89  -5.139   8.417  -4.795
 1527    H    GLU  90           HN       GLU  90  -0.353  10.384  -1.818
 1528    HA   GLU  90           HA       GLU  90   1.011  12.377  -0.414
 1529   1HB   GLU  90          HB2       GLU  90   1.058   9.382  -0.455
 1530   2HB   GLU  90          HB1       GLU  90   2.114  10.295   0.630
 1531   1HG   GLU  90          HG2       GLU  90  -0.898  10.480   0.501
 1532   2HG   GLU  90          HG1       GLU  90   0.031   9.561   1.707
 1533    H    LYS  91           HN       LYS  91   1.729  10.709  -3.314
 1534    HA   LYS  91           HA       LYS  91   4.465  10.547  -3.293
 1535   1HB   LYS  91          HB2       LYS  91   4.415  10.459  -5.593
 1536   2HB   LYS  91          HB1       LYS  91   2.873   9.793  -5.103
 1537   1HG   LYS  91          HG2       LYS  91   1.829  11.982  -5.597
 1538   2HG   LYS  91          HG1       LYS  91   3.387  12.551  -6.194
 1539   1HD   LYS  91          HD2       LYS  91   3.385  10.752  -7.871
 1540   2HD   LYS  91          HD1       LYS  91   1.804  10.226  -7.288
 1541   1HE   LYS  91          HE2       LYS  91   0.877  12.426  -7.879
 1542   2HE   LYS  91          HE1       LYS  91   2.454  12.913  -8.497
 1543   1HZ   LYS  91          HZ1       LYS  91   0.785  10.689  -9.544
 1544   2HZ   LYS  91          HZ2       LYS  91   2.314  11.119 -10.126
 1545   3HZ   LYS  91          HZ3       LYS  91   1.017  12.193 -10.285
 1546    H    ALA  92           HN       ALA  92   2.516  13.320  -4.355
 1547    HA   ALA  92           HA       ALA  92   4.885  14.989  -4.494
 1548   1HB   ALA  92          HB1       ALA  92   3.197  16.770  -5.114
 1549   2HB   ALA  92          HB2       ALA  92   1.973  15.498  -5.052
 1550   3HB   ALA  92          HB3       ALA  92   3.306  15.387  -6.203
 1551    H    LEU  93           HN       LEU  93   2.188  14.524  -2.292
 1552    HA   LEU  93           HA       LEU  93   2.832  16.898  -0.797
 1553   1HB   LEU  93          HB2       LEU  93   0.530  16.113  -0.904
 1554   2HB   LEU  93          HB1       LEU  93   0.990  14.610  -0.127
 1555    HG   LEU  93           HG       LEU  93   1.643  17.090   1.340
 1556   1HD1  LEU  93          HD11      LEU  93  -0.649  17.261   2.232
 1557   2HD1  LEU  93          HD12      LEU  93  -1.187  16.092   1.027
 1558   3HD1  LEU  93          HD13      LEU  93  -0.562  17.659   0.516
 1559   1HD2  LEU  93          HD21      LEU  93   2.095  14.769   2.151
 1560   2HD2  LEU  93          HD22      LEU  93   0.351  14.518   2.231
 1561   3HD2  LEU  93          HD23      LEU  93   1.112  15.744   3.242
 1562    H    GLY  94           HN       GLY  94   4.012  13.702  -0.873
 1563   1HA   GLY  94          HA2       GLY  94   4.686  13.218   1.784
 1564   2HA   GLY  94          HA1       GLY  94   5.596  12.633   0.398
 1565    H    ILE  95           HN       ILE  95   6.294  15.182  -0.642
 1566    HA   ILE  95           HA       ILE  95   8.644  15.704   0.844
 1567    HB   ILE  95           HB       ILE  95   8.440  16.124  -1.583
 1568   1HG1  ILE  95          HG12      ILE  95   9.208  18.510   0.095
 1569   2HG1  ILE  95          HG11      ILE  95  10.249  17.165  -0.344
 1570   1HG2  ILE  95          HG21      ILE  95   7.043  18.677  -1.064
 1571   2HG2  ILE  95          HG22      ILE  95   6.107  17.193  -1.161
 1572   3HG2  ILE  95          HG23      ILE  95   7.104  17.693  -2.527
 1573   1HD1  ILE  95          HD11      ILE  95   9.125  19.272  -2.161
 1574   2HD1  ILE  95          HD12      ILE  95   9.952  17.824  -2.732
 1575   3HD1  ILE  95          HD13      ILE  95  10.812  18.996  -1.734
 1576    H    ARG  96           HN       ARG  96   7.215  15.966   2.897
 1577    HA   ARG  96           HA       ARG  96   5.752  18.333   3.300
 1578   1HB   ARG  96          HB2       ARG  96   6.021  16.187   4.810
 1579   2HB   ARG  96          HB1       ARG  96   7.308  17.130   5.555
 1580   1HG   ARG  96          HG2       ARG  96   5.439  17.610   6.851
 1581   2HG   ARG  96          HG1       ARG  96   5.564  18.987   5.749
 1582   1HD   ARG  96          HD2       ARG  96   3.279  18.365   5.781
 1583   2HD   ARG  96          HD1       ARG  96   3.944  17.801   4.247
 1584    HE   ARG  96           HE       ARG  96   4.194  15.645   5.864
 1585   1HH1  ARG  96          HH11      ARG  96   1.531  17.740   5.058
 1586   2HH1  ARG  96          HH12      ARG  96   0.333  16.503   5.240
 1587   1HH2  ARG  96          HH21      ARG  96   2.625  14.008   6.106
 1588   2HH2  ARG  96          HH22      ARG  96   0.955  14.381   5.838
 1589    H    LYS  97           HN       LYS  97   9.119  17.559   3.452
 1590    HA   LYS  97           HA       LYS  97   9.874  20.183   4.411
 1591   1HB   LYS  97          HB2       LYS  97  12.220  19.307   4.074
 1592   2HB   LYS  97          HB1       LYS  97  11.243  18.407   5.223
 1593   1HG   LYS  97          HG2       LYS  97  12.004  16.614   4.118
 1594   2HG   LYS  97          HG1       LYS  97  10.769  17.016   2.933
 1595   1HD   LYS  97          HD2       LYS  97  12.984  18.601   2.285
 1596   2HD   LYS  97          HD1       LYS  97  13.622  16.997   2.654
 1597   1HE   LYS  97          HE2       LYS  97  11.446  16.360   1.166
 1598   2HE   LYS  97          HE1       LYS  97  11.923  17.888   0.425
 1599   1HZ   LYS  97          HZ1       LYS  97  12.983  15.978  -0.637
 1600   2HZ   LYS  97          HZ2       LYS  97  13.730  15.568   0.824
 1601   3HZ   LYS  97          HZ3       LYS  97  14.125  17.019   0.052
 1602    H    LYS  98           HN       LYS  98   8.960  21.427   2.696
 1603    HA   LYS  98           HA       LYS  98  10.314  21.164   0.104
 1604   1HB   LYS  98          HB2       LYS  98   7.850  22.763   0.826
 1605   2HB   LYS  98          HB1       LYS  98   8.536  22.611  -0.784
 1606   1HG   LYS  98          HG2       LYS  98   8.183  20.048  -0.365
 1607   2HG   LYS  98          HG1       LYS  98   7.018  20.623   0.828
 1608   1HD   LYS  98          HD2       LYS  98   5.677  20.443  -1.027
 1609   2HD   LYS  98          HD1       LYS  98   6.195  22.126  -1.158
 1610   1HE   LYS  98          HE2       LYS  98   7.324  19.749  -2.638
 1611   2HE   LYS  98          HE1       LYS  98   6.385  21.080  -3.315
 1612   1HZ   LYS  98          HZ1       LYS  98   8.187  22.591  -2.714
 1613   2HZ   LYS  98          HZ2       LYS  98   8.724  21.377  -3.762
 1614   3HZ   LYS  98          HZ3       LYS  98   9.091  21.293  -2.113