*HEADER    ELECTRON TRANSPORT                      05-SEP-06   2I96              
*TITLE     SOLUTION STRUCTURE OF THE OXIDIZED MICROSOMAL HUMAN                   
*TITLE    2 CYTOCHROME B5                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME B5;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    B5 FOLD, ELECTRON TRANSPORT                                           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.NUNEZ-QUINTANA, G.TRUAN, C.VAN HEIJENOORT                           
*REVDAT   1   04-SEP-07 2I96    0                                                


 ASSI {   71}
    (( segid "    " and resid 57   and name HG  ))
    (( segid "    " and resid 56   and name HA  ))
       4.900     3.000     1.100 peak    71 spectrum    1 weight  0.10000E+01 volume  0.18880E-03 ppm1     -0.482 ppm2      4.989 CV     1
  OR {   71}
    (( segid "    " and resid 48   and name HG  ))
    (( segid "    " and resid 56   and name HA  ))
  ASSI {   76}
    (( segid "    " and resid 48   and name HG  ))
    (( segid "    " and resid 47   and name HA  ))
       4.100     2.100     1.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.47584E-03 ppm1     -0.478 ppm2      6.169 CV     1
  OR {   76}
    (( segid "    " and resid 57   and name HG  ))
    (( segid "    " and resid 47   and name HA  ))
  ASSI {   94}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 48   and name HG  ))
       2.800     2.800     3.200 peak    94 spectrum    1 weight  0.10000E+01 volume  0.46999E-02 ppm1     -0.071 ppm2     -0.451 CV     1
  OR {   94}
    (  segid "    " and resid 57   and name HD2%)
    (( segid "    " and resid 48   and name HG  ))
  ASSI {  101}
    (  segid "    " and resid 57   and name HD2%)
    (( segid "    " and resid 99   and name HB2 ))
       2.900     2.900     3.100 peak   101 spectrum    1 weight  0.10000E+01 volume  0.32526E-02 ppm1     -0.066 ppm2      3.628 CV     1
  OR {  101}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 99   and name HB2 ))
  ASSI {  103}
    (  segid "    " and resid 57   and name HD2%)
    (( segid "    " and resid 55   and name HB2 ))
       3.200     3.200     2.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.19472E-02 ppm1     -0.065 ppm2      2.094 CV     1
  OR {  103}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 55   and name HB2 ))
  ASSI {  146}
    (( segid "    " and resid 50   and name HB3 ))
    (( segid "    " and resid 80   and name HB  ))
       3.400     1.500     1.500 peak   146 spectrum    1 weight  0.10000E+01 volume  0.88881E-03 ppm1      0.199 ppm2      2.936 CV     1
  OR {  146}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 80   and name HB  ))
  ASSI {  188}
    (  segid "    " and resid 101  and name HG2%)
    (( segid "    " and resid 55   and name HA  ))
       3.100     1.200     1.200 peak   188 spectrum    1 weight  0.10000E+01 volume  0.16109E-02 ppm1      0.708 ppm2      4.432 CV     1
  OR {  188}
    (  segid "    " and resid 100  and name HG2%)
    (( segid "    " and resid 55   and name HA  ))
  ASSI {  189}
    (  segid "    " and resid 100  and name HG2%)
    (( segid "    " and resid 102  and name HA2 ))
       3.800     1.800     1.800 peak   189 spectrum    1 weight  0.10000E+01 volume  0.85051E-03 ppm1      0.710 ppm2      4.049 CV     1
  OR {  189}
    (  segid "    " and resid 101  and name HG2%)
    (( segid "    " and resid 102  and name HA2 ))
  ASSI {  190}
    (  segid "    " and resid 37   and name HD1%)
    (( segid "    " and resid 104  and name HA  ))
       3.000     1.100     1.100 peak   190 spectrum    1 weight  0.10000E+01 volume  0.16800E-02 ppm1      0.714 ppm2      4.585 CV     1
  OR {  190}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 104  and name HA  ))
  ASSI {  199}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 76   and name HA2 ))
       3.400     3.400     2.600 peak   199 spectrum    1 weight  0.10000E+01 volume  0.15694E-02 ppm1      0.731 ppm2      3.550 CV     1
  OR {  199}
    (( segid "    " and resid 48   and name HB3 ))
    (( segid "    " and resid 76   and name HA2 ))
  ASSI {  201}
    (  segid "    " and resid 100  and name HG2%)
    (( segid "    " and resid 53   and name HA  ))
       3.800     1.800     1.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.75819E-03 ppm1      0.733 ppm2      4.759 CV     1
  OR {  201}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 53   and name HA  ))
  ASSI {  203}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 76   and name HA1 ))
       3.000     3.000     3.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.14195E-02 ppm1      0.734 ppm2      3.927 CV     1
  OR {  203}
    (( segid "    " and resid 48   and name HB3 ))
    (( segid "    " and resid 76   and name HA1 ))
  ASSI {  206}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 77   and name HA1 ))
       2.900     1.000     1.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.17675E-02 ppm1      0.742 ppm2      4.225 CV     1
  OR {  206}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 77   and name HA1 ))
  ASSI {  224}
!    (  segid "    " and resid 46   and name HG2%)
!    (( segid "    " and resid 72   and name HD2 ))
!       4.100     2.100     1.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.49225E-03 ppm1      0.803 ppm2      3.370 CV     1
!  OR {  224}
!    (  segid "    " and resid 46   and name HG2%)
!    (( segid "    " and resid 72   and name HD3 ))
!  OR {  224}
    (( segid "    " and resid 71   and name HB3 ))
    (( segid "    " and resid 72   and name HD2 ))
       4.100     2.100     1.900 peak   224 spectrum    1 weight  0.10000E+01 volume  0.49225E-03 ppm1      0.803 ppm2      3.370 CV     1
  OR {  224}
    (( segid "    " and resid 71   and name HB3 ))
    (( segid "    " and resid 72   and name HD3 ))
  ASSI {  225}
    (  segid "    " and resid 46   and name HG2%)
    (( segid "    " and resid 75   and name HA  ))
       2.800     2.800     3.200 peak   225 spectrum    1 weight  0.10000E+01 volume  0.41898E-02 ppm1      0.804 ppm2      3.775 CV     1
  OR {  225}
    (  segid "    " and resid 48   and name HD2%)
    (( segid "    " and resid 75   and name HA  ))
!  ASSI {  226}
!    (( segid "    " and resid 71   and name HB3 ))
!    (( segid "    " and resid 61   and name HA  ))
!       4.000     2.000     2.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.55350E-03 ppm1      0.807 ppm2      4.774 CV     1
!  OR {  226}
!    (  segid "    " and resid 46   and name HG2%)
!    (( segid "    " and resid 61   and name HA  ))
  ASSI {  232}
    (  segid "    " and resid 48   and name HD2%)
    (( segid "    " and resid 57   and name HG  ))
       2.800     2.800     3.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.36770E-02 ppm1      0.824 ppm2     -0.471 CV     1
  OR {  232}
    (  segid "    " and resid 46   and name HG2%)
    (( segid "    " and resid 57   and name HG  ))
  ASSI {  236}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HG  ))
       2.400     0.700     0.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.58909E-02 ppm1      0.889 ppm2      1.674 CV     1
  OR {  236}
    (  segid "    " and resid 112  and name HD2%)
    (( segid "    " and resid 112  and name HG  ))
  OR {  236}
    (  segid "    " and resid 119  and name HD2%)
    (( segid "    " and resid 119  and name HG  ))
  ASSI {  237}
    (  segid "    " and resid 104  and name HD1%)
    (( segid "    " and resid 34   and name HB3 ))
       3.000     1.100     1.100 peak   237 spectrum    1 weight  0.10000E+01 volume  0.49458E-02 ppm1      0.893 ppm2      1.511 CV     1
  OR {  237}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HB3 ))
  ASSI {  247}
    (  segid "    " and resid 112  and name HD2%)
    (( segid "    " and resid 108  and name HA  ))
       2.900     2.900     3.100 peak   247 spectrum    1 weight  0.10000E+01 volume  0.10893E-02 ppm1      0.906 ppm2      4.909 CV     1
  OR {  247}
    (  segid "    " and resid 104  and name HD1%)
    (( segid "    " and resid 108  and name HA  ))
  ASSI {  249}
    (  segid "    " and resid 112  and name HD2%)
    (( segid "    " and resid 109  and name HA  ))
       2.300     2.300     3.700 peak   249 spectrum    1 weight  0.10000E+01 volume  0.34416E-02 ppm1      0.907 ppm2      4.077 CV     1
  OR {  249}
    (  segid "    " and resid 104  and name HD1%)
    (( segid "    " and resid 109  and name HA  ))
  ASSI {  252}
    (( segid "    " and resid 37   and name HG13))
    (( segid "    " and resid 37   and name HB  ))
       2.600     0.800     0.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.26168E-02 ppm1      0.926 ppm2      1.843 CV     1
  OR {  252}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 37   and name HB  ))
  ASSI {  277}
    (( segid "    " and resid 30   and name HG3 ))
    (( segid "    " and resid 102  and name HA1 ))
       4.000     2.000     2.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.42873E-03 ppm1      1.056 ppm2      4.396 CV     1
  OR {  277}
    (( segid "    " and resid 54   and name HB  ))
    (( segid "    " and resid 102  and name HA1 ))
  ASSI {  283}
    (( segid "    " and resid 109  and name HG2 ))
    (( segid "    " and resid 29   and name HB  ))
       2.100     2.100     3.900 peak   283 spectrum    1 weight  0.10000E+01 volume  0.34659E-02 ppm1      1.144 ppm2      1.593 CV     1
  OR {  283}
    (( segid "    " and resid 109  and name HG3 ))
    (( segid "    " and resid 29   and name HB  ))
  OR {  283}
    (( segid "    " and resid 109  and name HB3 ))
    (( segid "    " and resid 29   and name HB  ))
  OR {  283}
    (( segid "    " and resid 109  and name HG3 ))
    (( segid "    " and resid 30   and name HB2 ))
  ASSI {  347}
    (  segid "    " and resid 70   and name HG2%)
    (( segid "    " and resid 71   and name HA  ))
       3.800     1.800     1.800 peak   347 spectrum    1 weight  0.10000E+01 volume  0.49343E-03 ppm1      1.462 ppm2      3.152 CV     1
  OR {  347}
    (( segid "    " and resid 74   and name HG3 ))
    (( segid "    " and resid 71   and name HA  ))
  ASSI {  366}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 102  and name HA1 ))
       3.000     1.100     1.100 peak   366 spectrum    1 weight  0.10000E+01 volume  0.19226E-02 ppm1      1.593 ppm2      4.394 CV     1
  OR {  366}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 102  and name HA1 ))
  OR {  366}
    (( segid "    " and resid 53   and name HG2 ))
    (( segid "    " and resid 102  and name HA1 ))
  OR {  366}
    (( segid "    " and resid 30   and name HD2 ))
    (( segid "    " and resid 102  and name HA1 ))
  ASSI {  374}
    (( segid "    " and resid 112  and name HG  ))
    (  segid "    " and resid 112  and name HD1%)
       2.100     0.600     0.600 peak   374 spectrum    1 weight  0.10000E+01 volume  0.10484E-01 ppm1      1.662 ppm2      0.920 CV     1
  OR {  374}
    (( segid "    " and resid 34   and name HG  ))
    (  segid "    " and resid 34   and name HD1%)
  OR {  374}
    (( segid "    " and resid 34   and name HB2 ))
    (  segid "    " and resid 34   and name HD1%)
  OR {  374}
    (( segid "    " and resid 112  and name HB2 ))
    (  segid "    " and resid 112  and name HD1%)
  ASSI {  403}
    (( segid "    " and resid 114  and name HD3 ))
    (( segid "    " and resid 114  and name HE3 ))
       2.100     0.500     0.500 peak   403 spectrum    1 weight  0.10000E+01 volume  0.13703E-01 ppm1      1.745 ppm2      3.057 CV     1
  OR {  403}
    (( segid "    " and resid 111  and name HD3 ))
    (( segid "    " and resid 111  and name HE2 ))
  OR {  403}
    (( segid "    " and resid 114  and name HD2 ))
    (( segid "    " and resid 114  and name HE2 ))
  OR {  403}
    (( segid "    " and resid 111  and name HD2 ))
    (( segid "    " and resid 111  and name HE2 ))
  OR {  403}
    (( segid "    " and resid 111  and name HD3 ))
    (( segid "    " and resid 111  and name HE3 ))
  OR {  403}
    (( segid "    " and resid 111  and name HD2 ))
    (( segid "    " and resid 111  and name HE3 ))
  OR {  403}
    (( segid "    " and resid 114  and name HD2 ))
    (( segid "    " and resid 114  and name HE3 ))
  OR {  403}
    (( segid "    " and resid 114  and name HD3 ))
    (( segid "    " and resid 114  and name HE2 ))
  OR {  403}
    (( segid "    " and resid 44   and name HD2 ))
    (( segid "    " and resid 44   and name HE3 ))
  OR {  403}
    (( segid "    " and resid 44   and name HD3 ))
    (( segid "    " and resid 44   and name HE2 ))
  ASSI {  412}
    (( segid "    " and resid 101  and name HB  ))
    (  segid "    " and resid 101  and name HD1%)
       2.200     0.600     0.600 peak   412 spectrum    1 weight  0.10000E+01 volume  0.86007E-02 ppm1      1.772 ppm2     -1.161 CV     1
  OR {  412}
    (( segid "    " and resid 56   and name HB3 ))
    (  segid "    " and resid 101  and name HD1%)
  ASSI {  427}
    (( segid "    " and resid 37   and name HB  ))
    (( segid "    " and resid 37   and name HA  ))
       3.100     1.200     1.200 peak   427 spectrum    1 weight  0.10000E+01 volume  0.13798E-02 ppm1      1.826 ppm2      3.630 CV     1
  OR {  427}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 37   and name HA  ))
  ASSI {  432}
    (( segid "    " and resid 74   and name HB2 ))
    (( segid "    " and resid 48   and name HB3 ))
       4.000     2.000     2.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.36527E-03 ppm1      1.837 ppm2      0.750 CV     1
  OR {  432}
    (( segid "    " and resid 37   and name HB  ))
    (( segid "    " and resid 48   and name HB3 ))
  ASSI {  435}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 47   and name HB2 ))
       3.600     1.600     1.600 peak   435 spectrum    1 weight  0.10000E+01 volume  0.67499E-03 ppm1      1.863 ppm2      3.006 CV     1
  OR {  435}
    (( segid "    " and resid 37   and name HB  ))
    (( segid "    " and resid 47   and name HB2 ))
  ASSI {  466}
    (( segid "    " and resid 74   and name HG2 ))
    (( segid "    " and resid 71   and name HA  ))
       4.300     2.300     1.700 peak   466 spectrum    1 weight  0.10000E+01 volume  0.30484E-03 ppm1      2.032 ppm2      3.151 CV     1
  OR {  466}
    (( segid "    " and resid 72   and name HB2 ))
    (( segid "    " and resid 71   and name HA  ))
  ASSI {  470}
    (( segid "    " and resid 110  and name HG3 ))
    (( segid "    " and resid 110  and name HD2 ))
       2.400     0.700     0.700 peak   470 spectrum    1 weight  0.10000E+01 volume  0.49792E-02 ppm1      2.045 ppm2      3.863 CV     1
  OR {  470}
    (( segid "    " and resid 115  and name HG2 ))
    (( segid "    " and resid 115  and name HD2 ))
  OR {  470}
    (( segid "    " and resid 115  and name HG3 ))
    (( segid "    " and resid 115  and name HD2 ))
  OR {  470}
    (( segid "    " and resid 110  and name HG2 ))
    (( segid "    " and resid 110  and name HD2 ))
  ASSI {  475}
    (( segid "    " and resid 116  and name HG2 ))
    (( segid "    " and resid 116  and name HD3 ))
       2.900     1.000     1.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.22102E-02 ppm1      2.060 ppm2      3.681 CV     1
  OR {  475}
    (( segid "    " and resid 115  and name HG3 ))
    (( segid "    " and resid 115  and name HD3 ))
  OR {  475}
    (( segid "    " and resid 115  and name HG2 ))
    (( segid "    " and resid 115  and name HD3 ))
  ASSI {  482}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 48   and name HB3 ))
       3.300     3.300     2.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.32560E-03 ppm1      2.083 ppm2      0.751 CV     1
  OR {  482}
    (( segid "    " and resid 74   and name HG2 ))
    (( segid "    " and resid 48   and name HB3 ))
  ASSI {  485}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 100  and name HA  ))
       4.100     2.100     1.900 peak   485 spectrum    1 weight  0.10000E+01 volume  0.53105E-03 ppm1      2.095 ppm2      3.464 CV     1
  OR {  485}
    (( segid "    " and resid 53   and name HB2 ))
    (( segid "    " and resid 100  and name HA  ))
  ASSI {  488}
    (( segid "    " and resid 55   and name HB2 ))
    (  segid "    " and resid 54   and name HG1%)
       3.500     3.500     2.500 peak   488 spectrum    1 weight  0.10000E+01 volume  0.11955E-02 ppm1      2.105 ppm2      0.566 CV     1
  OR {  488}
    (( segid "    " and resid 53   and name HB2 ))
    (  segid "    " and resid 54   and name HG1%)
  ASSI {  501}
    (( segid "    " and resid 103  and name HB2 ))
    (  segid "    " and resid 29   and name HG2%)
       2.200     2.200     3.800 peak   501 spectrum    1 weight  0.10000E+01 volume  0.27071E-02 ppm1      2.187 ppm2      0.354 CV     1
  OR {  501}
    (( segid "    " and resid 27   and name HG2 ))
    (  segid "    " and resid 29   and name HG2%)
  ASSI {  507}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 35   and name HB2 ))
       2.100     0.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.11792E-01 ppm1      2.215 ppm2      1.918 CV     1
  OR {  507}
    (( segid "    " and resid 81   and name HG2 ))
    (( segid "    " and resid 81   and name HB3 ))
  OR {  507}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 35   and name HB3 ))
  ASSI {  510}
    (( segid "    " and resid 78   and name HB3 ))
    (( segid "    " and resid 79   and name HA  ))
       3.700     1.700     1.700 peak   510 spectrum    1 weight  0.10000E+01 volume  0.44277E-03 ppm1      2.220 ppm2      4.463 CV     1
  OR {  510}
    (( segid "    " and resid 81   and name HG2 ))
    (( segid "    " and resid 79   and name HA  ))
  ASSI {  514}
    (( segid "    " and resid 78   and name HB3 ))
    (  segid "    " and resid 49   and name HD1%)
       2.800     2.800     3.200 peak   514 spectrum    1 weight  0.10000E+01 volume  0.18372E-02 ppm1      2.245 ppm2      0.738 CV     1
  OR {  514}
    (( segid "    " and resid 41   and name HB2 ))
    (  segid "    " and resid 37   and name HG2%)
  OR {  514}
    (( segid "    " and resid 103  and name HG2 ))
    (  segid "    " and resid 49   and name HD1%)
  OR {  514}
    (( segid "    " and resid 35   and name HG3 ))
    (  segid "    " and resid 37   and name HG2%)
  ASSI {  515}
    (( segid "    " and resid 82   and name HB2 ))
    (( segid "    " and resid 80   and name HA  ))
       4.000     2.000     2.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.52697E-03 ppm1      2.245 ppm2      3.876 CV     1
  OR {  515}
    (( segid "    " and resid 81   and name HG2 ))
    (( segid "    " and resid 80   and name HA  ))
!  ASSI {  531}
!    (( segid "    " and resid 40   and name HB2 ))
!    (( segid "    " and resid 37   and name HA  ))
!       3.000     1.100     1.100 peak   531 spectrum    1 weight  0.10000E+01 volume  0.11693E-02 ppm1      2.283 ppm2      3.625 CV     1
!  OR {  531}
!    (( segid "    " and resid 36   and name HG3 ))
!    (( segid "    " and resid 37   and name HA  ))
  ASSI {  543}
    (( segid "    " and resid 64   and name HB2 ))
    (( segid "    " and resid 64   and name HB3 ))
       1.900     0.500     0.500 peak   543 spectrum    1 weight  0.10000E+01 volume  0.94439E-02 ppm1      2.406 ppm2      1.826 CV     1
  OR {  543}
    (( segid "    " and resid 110  and name HB2 ))
    (( segid "    " and resid 110  and name HB3 ))
  ASSI {  577}
    (( segid "    " and resid 60   and name HB3 ))
    (  segid "    " and resid 57   and name HD2%)
       2.000     2.000     4.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.49452E-02 ppm1      2.570 ppm2     -0.058 CV     1
  OR {  577}
    (( segid "    " and resid 99   and name HB3 ))
    (  segid "    " and resid 57   and name HD2%)
  ASSI {  581}
    (( segid "    " and resid 91   and name HB2 ))
    (( segid "    " and resid 89   and name HA  ))
       3.100     3.100     2.900 peak   581 spectrum    1 weight  0.10000E+01 volume  0.34148E-03 ppm1      2.573 ppm2      4.963 CV     1
  OR {  581}
    (( segid "    " and resid 93   and name HB3 ))
    (( segid "    " and resid 89   and name HA  ))
!  OR {  581}
!    (( segid "    " and resid 38   and name HG2 ))
!    (( segid "    " and resid 49   and name HA  ))
  ASSI {  588}
    (( segid "    " and resid 107  and name HB3 ))
    (( segid "    " and resid 109  and name HB3 ))
       3.700     3.700     2.300 peak   588 spectrum    1 weight  0.10000E+01 volume  0.97659E-03 ppm1      2.600 ppm2      1.131 CV     1
  OR {  588}
    (( segid "    " and resid 105  and name HB3 ))
    (( segid "    " and resid 109  and name HB3 ))
  ASSI {  592}
    (( segid "    " and resid 105  and name HB3 ))
    (( segid "    " and resid 106  and name HA  ))
       3.200     1.300     1.300 peak   592 spectrum    1 weight  0.10000E+01 volume  0.13854E-02 ppm1      2.607 ppm2      3.690 CV     1
  OR {  592}
    (( segid "    " and resid 107  and name HB2 ))
    (( segid "    " and resid 106  and name HA  ))
  OR {  592}
    (( segid "    " and resid 107  and name HB3 ))
    (( segid "    " and resid 106  and name HA  ))
  ASSI {  594}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 105  and name HA  ))
       2.400     0.700     0.700 peak   594 spectrum    1 weight  0.10000E+01 volume  0.29413E-02 ppm1      2.611 ppm2      3.759 CV     1
  OR {  594}
    (( segid "    " and resid 105  and name HB3 ))
    (( segid "    " and resid 105  and name HA  ))
  ASSI {  595}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 106  and name HD3 ))
       3.300     1.300     1.300 peak   595 spectrum    1 weight  0.10000E+01 volume  0.97298E-03 ppm1      2.616 ppm2      1.567 CV     1
  OR {  595}
    (( segid "    " and resid 105  and name HB3 ))
    (( segid "    " and resid 106  and name HD3 ))
  ASSI {  597}
    (( segid "    " and resid 105  and name HB3 ))
    (( segid "    " and resid 106  and name HD2 ))
       3.200     1.300     1.300 peak   597 spectrum    1 weight  0.10000E+01 volume  0.10196E-02 ppm1      2.624 ppm2      2.268 CV     1
  OR {  597}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 106  and name HD2 ))
  ASSI {  599}
    (( segid "    " and resid 107  and name HB2 ))
    (( segid "    " and resid 34   and name HB3 ))
       2.900     2.900     3.100 peak   599 spectrum    1 weight  0.10000E+01 volume  0.67107E-03 ppm1      2.632 ppm2      1.507 CV     1
  OR {  599}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 34   and name HB3 ))
  ASSI {  601}
    (( segid "    " and resid 108  and name HB3 ))
    (( segid "    " and resid 104  and name HG  ))
       3.500     1.500     1.500 peak   601 spectrum    1 weight  0.10000E+01 volume  0.97796E-03 ppm1      2.648 ppm2      1.823 CV     1
  OR {  601}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 104  and name HG  ))
  ASSI {  615}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 37   and name HA  ))
       3.800     1.800     1.800 peak   615 spectrum    1 weight  0.10000E+01 volume  0.61281E-03 ppm1      2.717 ppm2      3.628 CV     1
  OR {  615}
    (( segid "    " and resid 47   and name HB3 ))
    (( segid "    " and resid 37   and name HA  ))
  ASSI {  623}
    (( segid "    " and resid 109  and name HD2 ))
    (( segid "    " and resid 106  and name HA  ))
       2.900     1.100     1.100 peak   623 spectrum    1 weight  0.10000E+01 volume  0.31474E-02 ppm1      2.822 ppm2      3.690 CV     1
  OR {  623}
    (( segid "    " and resid 108  and name HB2 ))
    (( segid "    " and resid 106  and name HA  ))
!  ASSI {  637}
!    (( segid "    " and resid 64   and name HAC ))
!    (  segid "    " and resid 70   and name HG2%)
!       4.000     2.000     2.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.48365E-03 ppm1      2.855 ppm2      1.474 CV     1
!  OR {  637}
!    (( segid "    " and resid 68   and name HB2 ))
!    (  segid "    " and resid 70   and name HG2%)
!  OR {  637}
!    (( segid "    " and resid 68   and name HG2 ))
!    (  segid "    " and resid 70   and name HG2%)
  ASSI {  638}
    (( segid "    " and resid 68   and name HG3 ))
    (( segid "    " and resid 61   and name HA  ))
       3.300     1.400     1.400 peak   638 spectrum    1 weight  0.10000E+01 volume  0.11765E-02 ppm1      2.858 ppm2      4.775 CV     1
!  OR {  638}
!    (( segid "    " and resid 60   and name HB2 ))
!    (( segid "    " and resid 61   and name HA  ))
  OR {  638}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 61   and name HA  ))
  ASSI {  639}
    (( segid "    " and resid 68   and name HG3 ))
    (  segid "    " and resid 61   and name HD2%)
       2.500     2.500     3.300 peak   639 spectrum    1 weight  0.10000E+01 volume  0.58578E-02 ppm1      2.862 ppm2      1.196 CV     1
  OR {  639}
    (( segid "    " and resid 68   and name HG2 ))
    (  segid "    " and resid 61   and name HD2%)
  OR {  639}
    (( segid "    " and resid 60   and name HB2 ))
    (  segid "    " and resid 61   and name HD2%)
  ASSI {  653}
    (( segid "    " and resid 68   and name HG2 ))
    (  segid "    " and resid 61   and name HD1%)
       2.700     2.700     3.300 peak   653 spectrum    1 weight  0.10000E+01 volume  0.22682E-02 ppm1      2.881 ppm2      1.288 CV     1
!  OR {  653}
!    (( segid "    " and resid 60   and name HB2 ))
!    (  segid "    " and resid 61   and name HD1%)
  OR {  653}
    (( segid "    " and resid 68   and name HB2 ))
    (  segid "    " and resid 61   and name HD1%)
  ASSI {  657}
    (( segid "    " and resid 80   and name HB  ))
    (( segid "    " and resid 50   and name HG  ))
       2.700     2.700     3.300 peak   657 spectrum    1 weight  0.10000E+01 volume  0.69713E-03 ppm1      2.906 ppm2     -1.939 CV     1
  OR {  657}
    (( segid "    " and resid 83   and name HB2 ))
    (( segid "    " and resid 50   and name HG  ))
  ASSI {  675}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 40   and name HA  ))
       4.000     2.000     2.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.29855E-03 ppm1      2.986 ppm2      3.988 CV     1
  OR {  675}
    (( segid "    " and resid 42   and name HB3 ))
    (( segid "    " and resid 40   and name HA  ))
  ASSI {  685}
    (( segid "    " and resid 53   and name HE2 ))
    (( segid "    " and resid 53   and name HG3 ))
       2.700     0.900     0.900 peak   685 spectrum    1 weight  0.10000E+01 volume  0.34690E-02 ppm1      3.028 ppm2      1.547 CV     1
  OR {  685}
    (( segid "    " and resid 53   and name HE3 ))
    (( segid "    " and resid 53   and name HG3 ))
  OR {  685}
    (( segid "    " and resid 97   and name HE3 ))
    (( segid "    " and resid 97   and name HG2 ))
  OR {  685}
    (( segid "    " and resid 53   and name HE3 ))
    (( segid "    " and resid 53   and name HG2 ))
  OR {  685}
    (( segid "    " and resid 53   and name HE2 ))
    (( segid "    " and resid 53   and name HG2 ))
  OR {  685}
    (( segid "    " and resid 97   and name HE3 ))
    (( segid "    " and resid 97   and name HG3 ))
  OR {  685}
    (( segid "    " and resid 97   and name HE2 ))
    (( segid "    " and resid 97   and name HG3 ))
  ASSI {  688}
    (( segid "    " and resid 111  and name HE2 ))
    (( segid "    " and resid 111  and name HD3 ))
       2.900     1.100     1.100 peak   688 spectrum    1 weight  0.10000E+01 volume  0.15727E-02 ppm1      3.039 ppm2      1.762 CV     1
  OR {  688}
    (( segid "    " and resid 44   and name HE2 ))
    (( segid "    " and resid 44   and name HD2 ))
  OR {  688}
    (( segid "    " and resid 111  and name HE2 ))
    (( segid "    " and resid 111  and name HD2 ))
  OR {  688}
    (( segid "    " and resid 111  and name HE3 ))
    (( segid "    " and resid 111  and name HD3 ))
  OR {  688}
    (( segid "    " and resid 111  and name HE3 ))
    (( segid "    " and resid 111  and name HD2 ))
  OR {  688}
    (( segid "    " and resid 44   and name HE3 ))
    (( segid "    " and resid 44   and name HD2 ))
  OR {  688}
    (( segid "    " and resid 44   and name HE2 ))
    (( segid "    " and resid 44   and name HD3 ))
  ASSI {  784}
    (( segid "    " and resid 115  and name HD2 ))
    (( segid "    " and resid 115  and name HG3 ))
       2.400     0.700     0.700 peak   784 spectrum    1 weight  0.10000E+01 volume  0.50738E-02 ppm1      3.832 ppm2      2.075 CV     1
  OR {  784}
    (( segid "    " and resid 116  and name HD2 ))
    (( segid "    " and resid 116  and name HG2 ))
  OR {  784}
    (( segid "    " and resid 110  and name HD2 ))
    (( segid "    " and resid 110  and name HG2 ))
  ASSI {  833}
    (( segid "    " and resid 97   and name HA  ))
    (( segid "    " and resid 100  and name HA  ))
       4.000     2.000     2.000 peak   833 spectrum    1 weight  0.10000E+01 volume  0.56763E-03 ppm1      4.047 ppm2      3.461 CV     1
  OR {  833}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 100  and name HA  ))
  ASSI {  839}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 31   and name HA  ))
       4.100     2.200     1.900 peak   839 spectrum    1 weight  0.10000E+01 volume  0.33236E-03 ppm1      4.065 ppm2      5.690 CV     1
  OR {  839}
    (( segid "    " and resid 102  and name HA2 ))
    (( segid "    " and resid 31   and name HA  ))
!  ASSI {  842}
!    (( segid "    " and resid 36   and name HA  ))
!    (( segid "    " and resid 39   and name HE2 ))
!       2.800     0.900     0.900 peak   842 spectrum    1 weight  0.10000E+01 volume  0.28352E-02 ppm1      4.070 ppm2      2.919 CV     1
!  OR {  842}
!    (( segid "    " and resid 109  and name HA  ))
!    (( segid "    " and resid 109  and name HD3 ))
!  OR {  842}
!    (( segid "    " and resid 36   and name HA  ))
!    (( segid "    " and resid 39   and name HE3 ))
  ASSI {  945}
    (( segid "    " and resid 59   and name HA  ))
    (  segid "    " and resid 58   and name HG2%)
       2.400     2.400     3.600 peak   945 spectrum    1 weight  0.10000E+01 volume  0.31408E-02 ppm1      4.569 ppm2      1.353 CV     1
  OR {  945}
    (( segid "    " and resid 44   and name HA  ))
    (  segid "    " and resid 58   and name HG2%)
  ASSI {  946}
    (( segid "    " and resid 104  and name HA  ))
    (  segid "    " and resid 54   and name HG1%)
       2.900     2.900     3.100 peak   946 spectrum    1 weight  0.10000E+01 volume  0.16102E-02 ppm1      4.570 ppm2      0.564 CV     1
  OR {  946}
    (( segid "    " and resid 101  and name HA  ))
    (  segid "    " and resid 54   and name HG1%)
  ASSI {  979}
    (( segid "    " and resid 78   and name HA  ))
    (  segid "    " and resid 49   and name HG2%)
       3.000     1.100     1.100 peak   979 spectrum    1 weight  0.10000E+01 volume  0.20754E-02 ppm1      4.759 ppm2      0.673 CV     1
  OR {  979}
    (( segid "    " and resid 99   and name HA  ))
    (  segid "    " and resid 101  and name HG2%)
!  ASSI {  993}
!    (( segid "    " and resid 62   and name HA  ))
!    (( segid "    " and resid 62   and name HG3 ))
!       3.100     1.200     1.200 peak   993 spectrum    1 weight  0.10000E+01 volume  0.18317E-02 ppm1      4.867 ppm2      2.575 CV     1
!  OR {  993}
!    (( segid "    " and resid 63   and name HA  ))
!    (( segid "    " and resid 62   and name HG3 ))
  ASSI {  994}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 63   and name HG2 ))
       2.500     0.800     0.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.53677E-02 ppm1      4.871 ppm2      2.664 CV     1
  OR {  994}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 63   and name HG3 ))
  OR {  994}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 62   and name HG2 ))
  ASSI { 1017}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 31   and name HA  ))
       4.500     2.500     1.500 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.20505E-03 ppm1      5.140 ppm2      5.694 CV     1
  OR { 1017}
    (( segid "    " and resid 103  and name HA  ))
    (( segid "    " and resid 31   and name HA  ))
  ASSI { 1034}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 61   and name HB2 ))
       3.900     1.900     1.900 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.51361E-03 ppm1      5.772 ppm2      2.388 CV     1
  OR { 1034}
    (( segid "    " and resid 47   and name HH2 ))
    (( segid "    " and resid 32   and name HB3 ))
  ASSI { 1071}
    (( segid "    " and resid 47   and name HE3 ))
    (  segid "    " and resid 54   and name HG2%)
       2.900     1.100     1.100 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.27095E-02 ppm1      6.575 ppm2      0.060 CV     1
  OR { 1071}
    (  segid "    " and resid 55   and name HD% )
    (  segid "    " and resid 54   and name HG2%)
!  ASSI { 1109}
!    (  segid "    " and resid 32   and name HD% )
!    (( segid "    " and resid 36   and name HG3 ))
!       2.900     1.100     1.100 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.16456E-02 ppm1      6.853 ppm2      2.291 CV     1
!  OR { 1109}
!    (( segid "    " and resid 40   and name HD1 ))
!    (( segid "    " and resid 36   and name HG3 ))
!  ASSI { 1151}
!    (  segid "    " and resid 60   and name HD% )
!    (( segid "    " and resid 64   and name HB2 ))
!       3.000     1.200     1.200 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.11644E-02 ppm1      7.536 ppm2      2.409 CV     1
!  OR { 1151}
!    (  segid "    " and resid 60   and name HD% )
!    (( segid "    " and resid 63   and name HB3 ))
  ASSI {    9}
    (( segid "    " and resid 106  and name HD3 ))
    (  segid "    " and resid 31   and name HD% )
       2.800     1.000     1.000 peak     9 spectrum    2 weight  0.10000E+01 volume  0.25599E-02 ppm1      1.575 ppm2      6.840 CV     1
  OR {    9}
    (( segid "    " and resid 29   and name HB  ))
    (  segid "    " and resid 31   and name HD% )
  OR {    9}
    (( segid "    " and resid 30   and name HB3 ))
    (  segid "    " and resid 31   and name HD% )
  ASSI {   25}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 42   and name HD2 ))
       3.100     1.200     1.200 peak    25 spectrum    2 weight  0.10000E+01 volume  0.23186E-02 ppm1      4.006 ppm2      7.255 CV     1
  OR {   25}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 42   and name HD2 ))
  ASSI {   58}
    (( segid "    " and resid 97   and name HA  ))
    (  segid "    " and resid 55   and name HE% )
       3.300     1.400     1.400 peak    58 spectrum    2 weight  0.10000E+01 volume  0.17980E-02 ppm1      4.060 ppm2      6.488 CV     1
  OR {   58}
    (( segid "    " and resid 54   and name HA  ))
    (  segid "    " and resid 55   and name HE% )
  ASSI {   63}
    (( segid "    " and resid 60   and name HB3 ))
    (  segid "    " and resid 99   and name HE% )
       3.700     1.700     1.700 peak    63 spectrum    2 weight  0.10000E+01 volume  0.13046E-02 ppm1      2.575 ppm2      6.845 CV     1
  OR {   63}
    (( segid "    " and resid 99   and name HB3 ))
    (  segid "    " and resid 99   and name HE% )
  ASSI {   75}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 105  and name HD2 ))
       2.800     1.000     1.000 peak    75 spectrum    2 weight  0.10000E+01 volume  0.49004E-02 ppm1      2.608 ppm2      6.974 CV     1
  OR {   75}
    (( segid "    " and resid 105  and name HB3 ))
    (( segid "    " and resid 105  and name HD2 ))
  ASSI {    8}
    (( segid "    " and resid 109  and name HA  ))
    (  segid "    " and resid 112  and name HD2%)
       2.900     2.900     3.100 peak     8 spectrum    3 weight  0.10000E+01 volume  0.45504E-02 ppm1      4.069 ppm2      0.893 CV     1
  OR {    8}
    (( segid "    " and resid 54   and name HA  ))
    (  segid "    " and resid 104  and name HD1%)
  OR {    8}
    (( segid "    " and resid 36   and name HA  ))
    (  segid "    " and resid 34   and name HD1%)
  OR {    8}
    (( segid "    " and resid 54   and name HA  ))
    (  segid "    " and resid 34   and name HD1%)
  ASSI {    9}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 65   and name HB2 ))
       2.200     0.600     0.600 peak     9 spectrum    3 weight  0.10000E+01 volume  0.11676E-01 ppm1      4.040 ppm2      0.796 CV     1
  OR {    9}
    (( segid "    " and resid 97   and name HA  ))
    (  segid "    " and resid 100  and name HD1%)
  ASSI {   10}
    (( segid "    " and resid 49   and name HG13))
    (  segid "    " and resid 49   and name HD1%)
       2.000     0.500     0.500 peak    10 spectrum    3 weight  0.10000E+01 volume  0.17399E-01 ppm1      0.541 ppm2      0.727 CV     1
  OR {   10}
    (( segid "    " and resid 49   and name HG13))
    (  segid "    " and resid 37   and name HG2%)
  OR {   10}
    (  segid "    " and resid 54   and name HG1%)
    (  segid "    " and resid 37   and name HD1%)
  ASSI {   12}
    (( segid "    " and resid 48   and name HB2 ))
    (  segid "    " and resid 48   and name HD2%)
       2.300     2.300     3.700 peak    12 spectrum    3 weight  0.10000E+01 volume  0.15603E-01 ppm1      1.191 ppm2      0.804 CV     1
  OR {   12}
    (  segid "    " and resid 61   and name HD2%)
    (  segid "    " and resid 46   and name HG2%)
  ASSI {   14}
    (( segid "    " and resid 53   and name HD2 ))
    (  segid "    " and resid 100  and name HG2%)
       2.800     1.000     1.000 peak    14 spectrum    3 weight  0.10000E+01 volume  0.41739E-02 ppm1      1.660 ppm2      0.727 CV     1
  OR {   14}
    (( segid "    " and resid 53   and name HD3 ))
    (  segid "    " and resid 100  and name HG2%)
  OR {   14}
    (( segid "    " and resid 34   and name HG  ))
    (  segid "    " and resid 49   and name HD1%)
  OR {   14}
    (( segid "    " and resid 34   and name HB2 ))
    (  segid "    " and resid 49   and name HD1%)
  ASSI {   18}
    (( segid "    " and resid 59   and name HA  ))
    (  segid "    " and resid 58   and name HG2%)
       2.400     2.400     3.600 peak    18 spectrum    3 weight  0.10000E+01 volume  0.49695E-02 ppm1      4.547 ppm2      1.336 CV     1
  OR {   18}
    (( segid "    " and resid 44   and name HA  ))
    (  segid "    " and resid 58   and name HG2%)
  OR {   18}
    (( segid "    " and resid 93   and name HA  ))
    (( segid "    " and resid 100  and name HG12))
  ASSI {   19}
    (( segid "    " and resid 90   and name HB  ))
    (  segid "    " and resid 90   and name HG2%)
       1.900     0.400     0.400 peak    19 spectrum    3 weight  0.10000E+01 volume  0.37467E-01 ppm1      4.469 ppm2      1.579 CV     1
  OR {   19}
    (( segid "    " and resid 122  and name HB  ))
    (  segid "    " and resid 122  and name HG2%)
  ASSI {   23}
    (( segid "    " and resid 114  and name HB3 ))
    (( segid "    " and resid 112  and name HB3 ))
       1.900     1.900     4.100 peak    23 spectrum    3 weight  0.10000E+01 volume  0.93309E-02 ppm1      1.769 ppm2      1.630 CV     1
  OR {   23}
    (( segid "    " and resid 114  and name HB2 ))
    (( segid "    " and resid 112  and name HB3 ))
  OR {   23}
    (( segid "    " and resid 101  and name HB  ))
    (( segid "    " and resid 30   and name HB2 ))
  OR {   23}
    (( segid "    " and resid 114  and name HB3 ))
    (( segid "    " and resid 112  and name HG  ))
  OR {   23}
    (( segid "    " and resid 114  and name HB3 ))
    (( segid "    " and resid 112  and name HB2 ))
  OR {   23}
    (( segid "    " and resid 114  and name HB2 ))
    (( segid "    " and resid 112  and name HB2 ))
  OR {   23}
    (( segid "    " and resid 114  and name HB2 ))
    (( segid "    " and resid 112  and name HG  ))
  ASSI {   24}
    (( segid "    " and resid 72   and name HG3 ))
    (( segid "    " and resid 72   and name HG2 ))
       1.800     0.400     0.400 peak    24 spectrum    3 weight  0.10000E+01 volume  0.16407E-01 ppm1      1.751 ppm2      1.938 CV     1
  OR {   24}
    (( segid "    " and resid 97   and name HD2 ))
    (( segid "    " and resid 97   and name HB3 ))
  OR {   24}
    (( segid "    " and resid 97   and name HD2 ))
    (( segid "    " and resid 97   and name HB2 ))
  ASSI {   26}
    (( segid "    " and resid 97   and name HG2 ))
    (( segid "    " and resid 97   and name HB2 ))
       2.400     0.700     0.700 peak    26 spectrum    3 weight  0.10000E+01 volume  0.69174E-02 ppm1      1.538 ppm2      1.916 CV     1
  OR {   26}
    (( segid "    " and resid 123  and name HG12))
    (( segid "    " and resid 123  and name HB  ))
  OR {   26}
    (( segid "    " and resid 44   and name HG2 ))
    (( segid "    " and resid 44   and name HB3 ))
  OR {   26}
    (( segid "    " and resid 97   and name HG2 ))
    (( segid "    " and resid 97   and name HB3 ))
  OR {   26}
    (( segid "    " and resid 97   and name HG3 ))
    (( segid "    " and resid 97   and name HB2 ))
  ASSI {   28}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HG  ))
       2.100     0.600     0.600 peak    28 spectrum    3 weight  0.10000E+01 volume  0.14324E-01 ppm1      0.875 ppm2      1.666 CV     1
  OR {   28}
    (  segid "    " and resid 112  and name HD2%)
    (( segid "    " and resid 112  and name HG  ))
  OR {   28}
    (  segid "    " and resid 119  and name HD2%)
    (( segid "    " and resid 119  and name HG  ))
  OR {   28}
    (  segid "    " and resid 112  and name HD2%)
    (( segid "    " and resid 112  and name HB3 ))
  OR {   28}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HB2 ))
  OR {   28}
    (  segid "    " and resid 112  and name HD2%)
    (( segid "    " and resid 112  and name HB2 ))
  ASSI {   30}
    (( segid "    " and resid 71   and name HB2 ))
    (  segid "    " and resid 61   and name HD2%)
       2.700     2.700     3.300 peak    30 spectrum    3 weight  0.10000E+01 volume  0.53540E-02 ppm1      2.659 ppm2      1.186 CV     1
  OR {   30}
    (( segid "    " and resid 31   and name HB3 ))
    (  segid "    " and resid 33   and name HG2%)
!  OR {   30}
!    (( segid "    " and resid 62   and name HG2 ))
!    (  segid "    " and resid 61   and name HD2%)
  ASSI {   32}
    (( segid "    " and resid 111  and name HB2 ))
    (( segid "    " and resid 111  and name HD2 ))
       2.800     1.000     1.000 peak    32 spectrum    3 weight  0.10000E+01 volume  0.30149E-02 ppm1      2.056 ppm2      1.754 CV     1
  OR {   32}
    (( segid "    " and resid 72   and name HB2 ))
    (( segid "    " and resid 72   and name HG3 ))
  OR {   32}
    (( segid "    " and resid 111  and name HB2 ))
    (( segid "    " and resid 111  and name HD3 ))
  ASSI {   33}
    (( segid "    " and resid 72   and name HG2 ))
    (( segid "    " and resid 72   and name HG3 ))
       1.700     0.400     0.500 peak    33 spectrum    3 weight  0.10000E+01 volume  0.16523E-01 ppm1      1.950 ppm2      1.749 CV     1
  OR {   33}
    (( segid "    " and resid 97   and name HB3 ))
    (( segid "    " and resid 97   and name HD2 ))
!  ASSI {   35}
!    (( segid "    " and resid 105  and name HB2 ))
!    (  segid "    " and resid 33   and name HG2%)
!       2.700     2.700     3.300 peak    35 spectrum    3 weight  0.10000E+01 volume  0.57398E-02 ppm1      2.875 ppm2      1.187 CV     1
!  OR {   35}
!    (( segid "    " and resid 60   and name HB2 ))
!    (  segid "    " and resid 61   and name HD2%)
  ASSI {   36}
    (( segid "    " and resid 113  and name HB2 ))
    (( segid "    " and resid 112  and name HG  ))
       3.100     1.200     1.200 peak    36 spectrum    3 weight  0.10000E+01 volume  0.37464E-02 ppm1      2.843 ppm2      1.659 CV     1
  OR {   36}
    (( segid "    " and resid 60   and name HB2 ))
    (( segid "    " and resid 57   and name HB2 ))
  ASSI {   38}
    (( segid "    " and resid 40   and name HD1 ))
    (( segid "    " and resid 40   and name HB2 ))
       2.600     0.800     0.800 peak    38 spectrum    3 weight  0.10000E+01 volume  0.40584E-02 ppm1      6.850 ppm2      2.269 CV     1
  OR {   38}
    (  segid "    " and resid 31   and name HD% )
    (( segid "    " and resid 106  and name HD2 ))
  ASSI {   39}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 36   and name HB3 ))
       1.700     0.300     0.500 peak    39 spectrum    3 weight  0.10000E+01 volume  0.24597E-01 ppm1      2.399 ppm2      2.270 CV     1
  OR {   39}
    (( segid "    " and resid 73   and name HG2 ))
    (( segid "    " and resid 73   and name HG3 ))
  ASSI {   41}
    (( segid "    " and resid 73   and name HB2 ))
    (( segid "    " and resid 73   and name HG3 ))
       2.600     0.800     0.800 peak    41 spectrum    3 weight  0.10000E+01 volume  0.56106E-02 ppm1      1.925 ppm2      2.271 CV     1
  OR {   41}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HG2 ))
  ASSI {   43}
    (( segid "    " and resid 110  and name HB3 ))
    (( segid "    " and resid 110  and name HG2 ))
       2.400     0.700     0.700 peak    43 spectrum    3 weight  0.10000E+01 volume  0.80829E-02 ppm1      1.825 ppm2      2.055 CV     1
  OR {   43}
    (( segid "    " and resid 74   and name HB2 ))
    (( segid "    " and resid 74   and name HG2 ))
  OR {   43}
    (( segid "    " and resid 110  and name HB3 ))
    (( segid "    " and resid 110  and name HG3 ))
  ASSI {   50}
    (( segid "    " and resid 69   and name HG3 ))
    (( segid "    " and resid 69   and name HB3 ))
       2.300     0.600     0.600 peak    50 spectrum    3 weight  0.10000E+01 volume  0.10704E-01 ppm1      2.647 ppm2      2.374 CV     1
  OR {   50}
    (( segid "    " and resid 69   and name HG2 ))
    (( segid "    " and resid 69   and name HB3 ))
  OR {   50}
    (( segid "    " and resid 62   and name HG2 ))
    (( segid "    " and resid 62   and name HB3 ))
  ASSI {   61}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HB3 ))
       1.800     0.400     0.400 peak    61 spectrum    3 weight  0.10000E+01 volume  0.16755E-01 ppm1      2.838 ppm2      2.647 CV     1
  OR {   61}
    (( segid "    " and resid 108  and name HB2 ))
    (( segid "    " and resid 108  and name HB3 ))
  ASSI {   62}
    (( segid "    " and resid 109  and name HD2 ))
    (( segid "    " and resid 106  and name HA  ))
       3.100     1.200     1.200 peak    62 spectrum    3 weight  0.10000E+01 volume  0.41413E-02 ppm1      2.822 ppm2      3.677 CV     1
  OR {   62}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 106  and name HA  ))
  OR {   62}
    (( segid "    " and resid 108  and name HB2 ))
    (( segid "    " and resid 106  and name HA  ))
  ASSI {   63}
    (( segid "    " and resid 93   and name HG3 ))
    (( segid "    " and resid 93   and name HG2 ))
       1.900     0.400     0.400 peak    63 spectrum    3 weight  0.10000E+01 volume  0.12730E-01 ppm1      2.784 ppm2      3.044 CV     1
  OR {   63}
    (( segid "    " and resid 84   and name HB2 ))
    (( segid "    " and resid 84   and name HG2 ))
  ASSI {   69}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 62   and name HA  ))
       2.200     0.600     0.600 peak    69 spectrum    3 weight  0.10000E+01 volume  0.14640E-01 ppm1      2.515 ppm2      4.870 CV     1
  OR {   69}
    (( segid "    " and resid 63   and name HB2 ))
    (( segid "    " and resid 63   and name HA  ))
  ASSI {   73}
    (( segid "    " and resid 84   and name HB3 ))
    (( segid "    " and resid 81   and name HA  ))
       3.000     1.200     1.200 peak    73 spectrum    3 weight  0.10000E+01 volume  0.42698E-02 ppm1      2.415 ppm2      3.946 CV     1
  OR {   73}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 35   and name HA  ))
  OR {   73}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 34   and name HA  ))
  ASSI {   74}
    (( segid "    " and resid 62   and name HB3 ))
    (( segid "    " and resid 62   and name HA  ))
       2.300     0.700     0.700 peak    74 spectrum    3 weight  0.10000E+01 volume  0.10723E-01 ppm1      2.380 ppm2      4.870 CV     1
  OR {   74}
    (( segid "    " and resid 63   and name HB3 ))
    (( segid "    " and resid 63   and name HA  ))
  ASSI {   76}
    (( segid "    " and resid 73   and name HG3 ))
    (( segid "    " and resid 73   and name HA  ))
       2.600     0.800     0.800 peak    76 spectrum    3 weight  0.10000E+01 volume  0.61403E-02 ppm1      2.277 ppm2      3.983 CV     1
  OR {   76}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 40   and name HA  ))
  ASSI {   77}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 76   and name HA1 ))
       2.700     0.900     0.900 peak    77 spectrum    3 weight  0.10000E+01 volume  0.49735E-02 ppm1      2.272 ppm2      3.908 CV     1
  OR {   77}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 45   and name HB2 ))
  ASSI {   80}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 36   and name HA  ))
       2.100     0.500     0.500 peak    80 spectrum    3 weight  0.10000E+01 volume  0.20213E-01 ppm1      2.260 ppm2      4.090 CV     1
  OR {   80}
    (( segid "    " and resid 70   and name HB  ))
    (( segid "    " and resid 70   and name HA  ))
  ASSI {   81}
    (( segid "    " and resid 78   and name HB3 ))
    (( segid "    " and resid 78   and name HA  ))
       2.800     1.000     1.000 peak    81 spectrum    3 weight  0.10000E+01 volume  0.47817E-02 ppm1      2.241 ppm2      4.758 CV     1
  OR {   81}
    (( segid "    " and resid 103  and name HG2 ))
    (( segid "    " and resid 53   and name HA  ))
  ASSI {   85}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 55   and name HA  ))
       2.900     1.100     1.100 peak    85 spectrum    3 weight  0.10000E+01 volume  0.46033E-02 ppm1      2.080 ppm2      4.425 CV     1
  OR {   85}
    (( segid "    " and resid 110  and name HG2 ))
    (( segid "    " and resid 110  and name HA  ))
  OR {   85}
    (( segid "    " and resid 110  and name HG3 ))
    (( segid "    " and resid 110  and name HA  ))
  ASSI {   91}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 40   and name HA  ))
       2.200     0.600     0.600 peak    91 spectrum    3 weight  0.10000E+01 volume  0.90282E-02 ppm1      1.838 ppm2      3.963 CV     1
  OR {   91}
    (( segid "    " and resid 37   and name HB  ))
    (( segid "    " and resid 34   and name HA  ))
  ASSI {   92}
    (( segid "    " and resid 64   and name HB3 ))
    (( segid "    " and resid 64   and name HA  ))
       2.300     0.700     0.700 peak    92 spectrum    3 weight  0.10000E+01 volume  0.42126E-02 ppm1      1.821 ppm2      4.467 CV     1
  OR {   92}
    (( segid "    " and resid 110  and name HB3 ))
    (( segid "    " and resid 110  and name HA  ))
  ASSI {   94}
    (( segid "    " and resid 44   and name HD3 ))
    (( segid "    " and resid 44   and name HE3 ))
       2.400     0.700     0.700 peak    94 spectrum    3 weight  0.10000E+01 volume  0.80225E-02 ppm1      1.760 ppm2      3.045 CV     1
  OR {   94}
    (( segid "    " and resid 111  and name HD3 ))
    (( segid "    " and resid 111  and name HE2 ))
  OR {   94}
    (( segid "    " and resid 44   and name HD2 ))
    (( segid "    " and resid 44   and name HE2 ))
  OR {   94}
    (( segid "    " and resid 111  and name HD2 ))
    (( segid "    " and resid 111  and name HE2 ))
  OR {   94}
    (( segid "    " and resid 111  and name HD3 ))
    (( segid "    " and resid 111  and name HE3 ))
  OR {   94}
    (( segid "    " and resid 111  and name HD2 ))
    (( segid "    " and resid 111  and name HE3 ))
  OR {   94}
    (( segid "    " and resid 44   and name HD2 ))
    (( segid "    " and resid 44   and name HE3 ))
  OR {   94}
    (( segid "    " and resid 44   and name HD3 ))
    (( segid "    " and resid 44   and name HE2 ))
  ASSI {   98}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HA  ))
       2.200     0.600     0.600 peak    98 spectrum    3 weight  0.10000E+01 volume  0.16949E-01 ppm1      1.591 ppm2      4.049 CV     1
  OR {   98}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HA  ))
  OR {   98}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 39   and name HA  ))
  OR {   98}
    (( segid "    " and resid 39   and name HG2 ))
    (( segid "    " and resid 39   and name HA  ))
  OR {   98}
    (( segid "    " and resid 39   and name HD2 ))
    (( segid "    " and resid 39   and name HA  ))
  ASSI {  101}
    (( segid "    " and resid 53   and name HG3 ))
    (( segid "    " and resid 53   and name HE2 ))
       2.700     0.900     0.900 peak   101 spectrum    3 weight  0.10000E+01 volume  0.39494E-02 ppm1      1.543 ppm2      3.021 CV     1
  OR {  101}
    (( segid "    " and resid 97   and name HG2 ))
    (( segid "    " and resid 97   and name HE2 ))
  OR {  101}
    (( segid "    " and resid 44   and name HG3 ))
    (( segid "    " and resid 44   and name HE3 ))
  OR {  101}
    (( segid "    " and resid 53   and name HG3 ))
    (( segid "    " and resid 53   and name HE3 ))
  OR {  101}
    (( segid "    " and resid 44   and name HG2 ))
    (( segid "    " and resid 44   and name HE3 ))
  OR {  101}
    (( segid "    " and resid 97   and name HG3 ))
    (( segid "    " and resid 97   and name HE3 ))
  OR {  101}
    (( segid "    " and resid 97   and name HG3 ))
    (( segid "    " and resid 97   and name HE2 ))
  ASSI {  102}
    (( segid "    " and resid 111  and name HG3 ))
    (( segid "    " and resid 111  and name HE3 ))
       2.600     0.900     0.900 peak   102 spectrum    3 weight  0.10000E+01 volume  0.59899E-02 ppm1      1.468 ppm2      3.049 CV     1
  OR {  102}
    (( segid "    " and resid 114  and name HG3 ))
    (( segid "    " and resid 114  and name HE2 ))
  OR {  102}
    (( segid "    " and resid 111  and name HG3 ))
    (( segid "    " and resid 111  and name HE2 ))
  OR {  102}
    (( segid "    " and resid 114  and name HG2 ))
    (( segid "    " and resid 114  and name HE2 ))
  OR {  102}
    (( segid "    " and resid 114  and name HG3 ))
    (( segid "    " and resid 114  and name HE3 ))
  OR {  102}
    (( segid "    " and resid 114  and name HG2 ))
    (( segid "    " and resid 114  and name HE3 ))
  OR {  102}
    (( segid "    " and resid 111  and name HG2 ))
    (( segid "    " and resid 111  and name HE3 ))
  ASSI {  110}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 105  and name HB2 ))
       2.700     0.900     0.900 peak   110 spectrum    3 weight  0.10000E+01 volume  0.54584E-02 ppm1      1.192 ppm2      2.870 CV     1
  OR {  110}
    (  segid "    " and resid 61   and name HD2%)
    (( segid "    " and resid 68   and name HG3 ))
  ASSI {  114}
    (  segid "    " and resid 112  and name HD2%)
    (( segid "    " and resid 109  and name HA  ))
       2.500     2.500     3.500 peak   114 spectrum    3 weight  0.10000E+01 volume  0.46429E-02 ppm1      0.896 ppm2      4.067 CV     1
  OR {  114}
    (  segid "    " and resid 104  and name HD1%)
    (( segid "    " and resid 109  and name HA  ))
  OR {  114}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 36   and name HA  ))
  OR {  114}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 54   and name HA  ))
  ASSI {  115}
    (  segid "    " and resid 119  and name HD2%)
    (( segid "    " and resid 119  and name HA  ))
       2.600     0.800     0.800 peak   115 spectrum    3 weight  0.10000E+01 volume  0.79113E-02 ppm1      0.859 ppm2      4.312 CV     1
  OR {  115}
    (  segid "    " and resid 123  and name HD1%)
    (( segid "    " and resid 123  and name HA  ))
  ASSI {  119}
    (  segid "    " and resid 37   and name HD1%)
    (( segid "    " and resid 34   and name HA  ))
       2.400     2.400     3.600 peak   119 spectrum    3 weight  0.10000E+01 volume  0.97821E-02 ppm1      0.728 ppm2      3.958 CV     1
  OR {  119}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 34   and name HA  ))
  OR {  119}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 34   and name HA  ))
  ASSI {  120}
    (  segid "    " and resid 37   and name HD1%)
    (( segid "    " and resid 104  and name HA  ))
       2.600     0.900     0.900 peak   120 spectrum    3 weight  0.10000E+01 volume  0.55191E-02 ppm1      0.724 ppm2      4.574 CV     1
  OR {  120}
    (  segid "    " and resid 100  and name HG2%)
    (( segid "    " and resid 101  and name HA  ))
  OR {  120}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 104  and name HA  ))
  OR {  120}
    (  segid "    " and resid 37   and name HD1%)
    (( segid "    " and resid 33   and name HA  ))
  ASSI {  131}
    (  segid "    " and resid 31   and name HD% )
    (( segid "    " and resid 31   and name HB2 ))
       2.400     0.700     0.700 peak   131 spectrum    3 weight  0.10000E+01 volume  0.43567E-02 ppm1      6.840 ppm2      2.836 CV     1
  OR {  131}
    (  segid "    " and resid 99   and name HE% )
    (( segid "    " and resid 60   and name HB2 ))
  ASSI {  145}
    (( segid "    " and resid 90   and name HA  ))
    (( segid "    " and resid 93   and name HD3 ))
       2.500     0.800     0.800 peak   145 spectrum    3 weight  0.10000E+01 volume  0.60945E-02 ppm1      4.468 ppm2      3.795 CV     1
  OR {  145}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 75   and name HA  ))
  ASSI {  149}
    (( segid "    " and resid 95   and name HB3 ))
    (( segid "    " and resid 95   and name HG2 ))
       2.400     0.700     0.700 peak   149 spectrum    3 weight  0.10000E+01 volume  0.48070E-02 ppm1      2.243 ppm2      2.585 CV     1
  OR {  149}
    (( segid "    " and resid 106  and name HD2 ))
    (( segid "    " and resid 105  and name HB3 ))
  ASSI {  150}
    (( segid "    " and resid 59   and name HB2 ))
    (( segid "    " and resid 60   and name HB3 ))
       3.000     3.000     3.000 peak   150 spectrum    3 weight  0.10000E+01 volume  0.50252E-02 ppm1      2.230 ppm2      2.565 CV     1
  OR {  150}
    (( segid "    " and resid 94   and name HB3 ))
    (( segid "    " and resid 93   and name HB2 ))
!  OR {  150}
!    (( segid "    " and resid 41   and name HB2 ))
!    (( segid "    " and resid 38   and name HG2 ))
  ASSI {  154}
    (( segid "    " and resid 78   and name HA  ))
    (  segid "    " and resid 49   and name HD1%)
       3.100     1.200     1.200 peak   154 spectrum    3 weight  0.10000E+01 volume  0.40522E-02 ppm1      4.766 ppm2      0.732 CV     1
  OR {  154}
    (( segid "    " and resid 53   and name HA  ))
    (  segid "    " and resid 100  and name HG2%)
  OR {  154}
    (( segid "    " and resid 99   and name HA  ))
    (  segid "    " and resid 100  and name HG2%)
  ASSI {  155}
    (( segid "    " and resid 78   and name HA  ))
    (  segid "    " and resid 49   and name HG2%)
       2.800     1.000     1.000 peak   155 spectrum    3 weight  0.10000E+01 volume  0.42281E-02 ppm1      4.766 ppm2      0.657 CV     1
  OR {  155}
    (( segid "    " and resid 99   and name HA  ))
    (  segid "    " and resid 101  and name HG2%)
  OR {  155}
    (( segid "    " and resid 53   and name HA  ))
    (  segid "    " and resid 49   and name HG2%)
  ASSI {  170}
    (( segid "    " and resid 116  and name HG2 ))
    (( segid "    " and resid 116  and name HB3 ))
       2.000     0.500     0.500 peak   170 spectrum    3 weight  0.10000E+01 volume  0.23251E-01 ppm1      2.063 ppm2      1.967 CV     1
  OR {  170}
    (( segid "    " and resid 72   and name HB2 ))
    (( segid "    " and resid 72   and name HG2 ))
  OR {  170}
    (( segid "    " and resid 115  and name HG3 ))
    (( segid "    " and resid 115  and name HB3 ))
  ASSI {  174}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 57   and name HB3 ))
       2.600     0.800     0.800 peak   174 spectrum    3 weight  0.10000E+01 volume  0.40373E-02 ppm1      4.268 ppm2      1.041 CV     1
  OR {  174}
    (( segid "    " and resid 120  and name HA  ))
    (  segid "    " and resid 120  and name HG2%)
  ASSI {  179}
    (( segid "    " and resid 93   and name HA  ))
    (( segid "    " and resid 93   and name HB2 ))
       2.600     0.900     0.900 peak   179 spectrum    3 weight  0.10000E+01 volume  0.85920E-02 ppm1      4.569 ppm2      2.567 CV     1
  OR {  179}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 105  and name HB3 ))
  ASSI {  185}
    (( segid "    " and resid 77   and name HA2 ))
    (( segid "    " and resid 54   and name HA  ))
       2.100     2.100     3.900 peak   185 spectrum    3 weight  0.10000E+01 volume  0.35982E-02 ppm1      3.579 ppm2      4.093 CV     1
  OR {  185}
    (( segid "    " and resid 76   and name HA2 ))
    (( segid "    " and resid 54   and name HA  ))
  OR {  185}
    (( segid "    " and resid 77   and name HA2 ))
    (( segid "    " and resid 36   and name HA  ))
  OR {  185}
    (( segid "    " and resid 98   and name HB  ))
    (( segid "    " and resid 54   and name HA  ))
  ASSI {  192}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HB3 ))
       2.600     0.900     0.900 peak   192 spectrum    3 weight  0.10000E+01 volume  0.53397E-02 ppm1      4.035 ppm2      1.337 CV     1
  OR {  192}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HG3 ))
  OR {  192}
    (( segid "    " and resid 97   and name HA  ))
    (( segid "    " and resid 100  and name HG12))
  ASSI {  193}
    (( segid "    " and resid 39   and name HD3 ))
    (( segid "    " and resid 39   and name HE2 ))
       2.200     0.600     0.600 peak   193 spectrum    3 weight  0.10000E+01 volume  0.14311E-01 ppm1      1.593 ppm2      2.905 CV     1
  OR {  193}
    (( segid "    " and resid 39   and name HD2 ))
    (( segid "    " and resid 39   and name HE3 ))
  OR {  193}
    (( segid "    " and resid 30   and name HD3 ))
    (( segid "    " and resid 30   and name HE2 ))
  OR {  193}
    (( segid "    " and resid 30   and name HD2 ))
    (( segid "    " and resid 30   and name HE2 ))
  OR {  193}
    (( segid "    " and resid 39   and name HG2 ))
    (( segid "    " and resid 39   and name HE3 ))
  OR {  193}
    (( segid "    " and resid 39   and name HD2 ))
    (( segid "    " and resid 39   and name HE2 ))
  OR {  193}
    (( segid "    " and resid 39   and name HD3 ))
    (( segid "    " and resid 39   and name HE3 ))
  ASSI {  196}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 25   and name HB2 ))
       1.600     0.300     0.600 peak   196 spectrum    3 weight  0.10000E+01 volume  0.19600E-01 ppm1      3.534 ppm2      3.841 CV     1
  OR {  196}
    (( segid "    " and resid 96   and name HB3 ))
    (( segid "    " and resid 96   and name HB2 ))
  OR {  196}
    (( segid "    " and resid 110  and name HD3 ))
    (( segid "    " and resid 110  and name HD2 ))
  ASSI {  197}
    (( segid "    " and resid 105  and name HA  ))
    (( segid "    " and resid 106  and name HD3 ))
       2.200     0.600     0.600 peak   197 spectrum    3 weight  0.10000E+01 volume  0.69788E-02 ppm1      3.754 ppm2      1.564 CV     1
  OR {  197}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HB  ))
  ASSI {  208}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 30   and name HB3 ))
       2.200     0.600     0.600 peak   208 spectrum    3 weight  0.10000E+01 volume  0.16926E-01 ppm1      4.041 ppm2      1.594 CV     1
  OR {  208}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 30   and name HB2 ))
  OR {  208}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HB2 ))
  OR {  208}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HG2 ))
  ASSI {  214}
    (( segid "    " and resid 31   and name HB3 ))
    (  segid "    " and resid 31   and name HD% )
       2.500     0.800     0.800 peak   214 spectrum    3 weight  0.10000E+01 volume  0.68318E-02 ppm1      2.612 ppm2      6.835 CV     1
  OR {  214}
    (( segid "    " and resid 95   and name HG3 ))
    (  segid "    " and resid 99   and name HE% )
  OR {  214}
    (( segid "    " and resid 60   and name HB3 ))
    (  segid "    " and resid 99   and name HE% )
  ASSI {  218}
    (( segid "    " and resid 32   and name HA  ))
    (  segid "    " and resid 32   and name HD% )
       2.600     0.800     0.800 peak   218 spectrum    3 weight  0.10000E+01 volume  0.68521E-02 ppm1      5.118 ppm2      6.867 CV     1
  OR {  218}
    (( segid "    " and resid 103  and name HA  ))
    (  segid "    " and resid 31   and name HD% )
  ASSI {  234}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HB2 ))
       1.700     0.400     0.500 peak   234 spectrum    3 weight  0.10000E+01 volume  0.19489E-01 ppm1      1.521 ppm2      1.646 CV     1
  OR {  234}
    (( segid "    " and resid 53   and name HG3 ))
    (( segid "    " and resid 53   and name HD3 ))
  OR {  234}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HG  ))
  ASSI {  237}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 35   and name HB3 ))
       2.500     0.800     0.800 peak   237 spectrum    3 weight  0.10000E+01 volume  0.57688E-02 ppm1      2.266 ppm2      1.922 CV     1
  OR {  237}
    (( segid "    " and resid 73   and name HG3 ))
    (( segid "    " and resid 73   and name HB2 ))
  OR {  237}
    (( segid "    " and resid 81   and name HG2 ))
    (( segid "    " and resid 81   and name HB3 ))
  OR {  237}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 35   and name HB2 ))
  ASSI {  246}
    (( segid "    " and resid 37   and name HG12))
    (( segid "    " and resid 37   and name HG13))
       2.000     0.500     0.500 peak   246 spectrum    3 weight  0.10000E+01 volume  0.61322E-02 ppm1      2.042 ppm2      0.930 CV     1
  OR {  246}
    (( segid "    " and resid 74   and name HG2 ))
    (( segid "    " and resid 74   and name HB3 ))
  ASSI {  247}
    (( segid "    " and resid 37   and name HG13))
    (  segid "    " and resid 37   and name HD1%)
       2.000     0.500     0.500 peak   247 spectrum    3 weight  0.10000E+01 volume  0.16789E-01 ppm1      0.918 ppm2      0.727 CV     1
  OR {  247}
    (  segid "    " and resid 104  and name HD1%)
    (  segid "    " and resid 49   and name HD1%)
  OR {  247}
    (  segid "    " and resid 104  and name HD1%)
    (  segid "    " and resid 37   and name HD1%)
  OR {  247}
    (( segid "    " and resid 37   and name HG13))
    (  segid "    " and resid 37   and name HG2%)
  OR {  247}
    (  segid "    " and resid 34   and name HD1%)
    (  segid "    " and resid 49   and name HD1%)
  ASSI {  252}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 38   and name HB3 ))
       1.700     0.400     0.500 peak   252 spectrum    3 weight  0.10000E+01 volume  0.17994E-01 ppm1      2.118 ppm2      1.956 CV     1
  OR {  252}
    (( segid "    " and resid 116  and name HG3 ))
    (( segid "    " and resid 116  and name HB3 ))
  ASSI {  274}
    (( segid "    " and resid 106  and name HB2 ))
    (( segid "    " and resid 106  and name HG2 ))
       2.400     0.700     0.700 peak   274 spectrum    3 weight  0.10000E+01 volume  0.63012E-02 ppm1      2.157 ppm2      1.544 CV     1
  OR {  274}
    (( segid "    " and resid 44   and name HB2 ))
    (( segid "    " and resid 44   and name HG2 ))
  OR {  274}
    (( segid "    " and resid 44   and name HB2 ))
    (( segid "    " and resid 44   and name HG3 ))
  ASSI {  279}
    (( segid "    " and resid 103  and name HB3 ))
    (( segid "    " and resid 103  and name HB2 ))
       1.600     0.300     0.600 peak   279 spectrum    3 weight  0.10000E+01 volume  0.26460E-01 ppm1      1.731 ppm2      2.159 CV     1
  OR {  279}
    (( segid "    " and resid 106  and name HB3 ))
    (( segid "    " and resid 106  and name HB2 ))
  ASSI {  280}
    (( segid "    " and resid 101  and name HB  ))
    (( segid "    " and resid 101  and name HA  ))
       2.100     0.600     0.600 peak   280 spectrum    3 weight  0.10000E+01 volume  0.16631E-01 ppm1      1.758 ppm2      4.549 CV     1
  OR {  280}
    (( segid "    " and resid 44   and name HD2 ))
    (( segid "    " and resid 44   and name HA  ))
  ASSI {  321}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 49   and name HG13))
       2.200     0.600     0.600 peak   321 spectrum    3 weight  0.10000E+01 volume  0.95828E-02 ppm1      0.731 ppm2      0.513 CV     1
  OR {  321}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 49   and name HG13))
  ASSI {  323}
    (  segid "    " and resid 37   and name HD1%)
    (( segid "    " and resid 54   and name HB  ))
       2.100     2.100     3.900 peak   323 spectrum    3 weight  0.10000E+01 volume  0.16232E-01 ppm1      0.729 ppm2      1.038 CV     1
  OR {  323}
    (  segid "    " and resid 49   and name HD1%)
    (  segid "    " and resid 104  and name HD2%)
  OR {  323}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 54   and name HB  ))
  OR {  323}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 54   and name HB  ))
  ASSI {  336}
    (( segid "    " and resid 101  and name HG12))
    (( segid "    " and resid 101  and name HG13))
       2.000     0.500     0.500 peak   336 spectrum    3 weight  0.10000E+01 volume  0.61244E-02 ppm1      0.191 ppm2     -0.060 CV     1
  OR {  336}
    (( segid "    " and resid 50   and name HB3 ))
    (  segid "    " and resid 50   and name HD1%)
  ASSI {  337}
    (( segid "    " and resid 50   and name HB3 ))
    (  segid "    " and resid 50   and name HD2%)
       2.200     2.200     3.800 peak   337 spectrum    3 weight  0.10000E+01 volume  0.14351E-01 ppm1      0.192 ppm2     -0.776 CV     1
  OR {  337}
    (  segid "    " and resid 79   and name HB% )
    (  segid "    " and resid 50   and name HD2%)
  ASSI {  342}
    (  segid "    " and resid 50   and name HD1%)
    (  segid "    " and resid 55   and name HD% )
       2.700     2.700     3.300 peak   342 spectrum    3 weight  0.10000E+01 volume  0.71068E-02 ppm1     -0.067 ppm2      6.596 CV     1
  OR {  342}
    (  segid "    " and resid 57   and name HD2%)
    (  segid "    " and resid 55   and name HD% )
  ASSI {  357}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 53   and name HB3 ))
       2.200     0.600     0.600 peak   357 spectrum    3 weight  0.10000E+01 volume  0.78073E-02 ppm1      4.757 ppm2      1.370 CV     1
  OR {  357}
    (( segid "    " and resid 78   and name HA  ))
    (( segid "    " and resid 49   and name HB  ))
  ASSI {  364}
    (( segid "    " and resid 54   and name HA  ))
    (  segid "    " and resid 54   and name HG1%)
       2.500     0.800     0.800 peak   364 spectrum    3 weight  0.10000E+01 volume  0.87682E-02 ppm1      4.073 ppm2      0.550 CV     1
  OR {  364}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 49   and name HG13))
  ASSI {  381}
    (( segid "    " and resid 111  and name HB2 ))
    (( segid "    " and resid 111  and name HB3 ))
       1.700     0.400     0.500 peak   381 spectrum    3 weight  0.10000E+01 volume  0.14248E-01 ppm1      2.084 ppm2      1.879 CV     1
  OR {  381}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 55   and name HB3 ))
  ASSI {  388}
    (( segid "    " and resid 55   and name HB3 ))
    (  segid "    " and resid 57   and name HD2%)
       3.000     3.000     3.000 peak   388 spectrum    3 weight  0.10000E+01 volume  0.45314E-02 ppm1      1.878 ppm2     -0.074 CV     1
  OR {  388}
    (( segid "    " and resid 55   and name HB3 ))
    (  segid "    " and resid 50   and name HD1%)
  ASSI {  389}
    (( segid "    " and resid 47   and name HE3 ))
    (( segid "    " and resid 37   and name HA  ))
       2.000     0.500     0.500 peak   389 spectrum    3 weight  0.10000E+01 volume  0.97382E-02 ppm1      6.588 ppm2      3.609 CV     1
  OR {  389}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 99   and name HB2 ))
  ASSI {  393}
    (  segid "    " and resid 55   and name HD% )
    (  segid "    " and resid 50   and name HD1%)
       2.900     2.900     3.100 peak   393 spectrum    3 weight  0.10000E+01 volume  0.55206E-02 ppm1      6.599 ppm2     -0.072 CV     1
  OR {  393}
    (  segid "    " and resid 55   and name HD% )
    (  segid "    " and resid 57   and name HD2%)
  OR {  393}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 101  and name HG13))
  ASSI {  407}
    (( segid "    " and resid 57   and name HB2 ))
    (( segid "    " and resid 57   and name HB3 ))
       1.700     0.300     0.500 peak   407 spectrum    3 weight  0.10000E+01 volume  0.17399E-01 ppm1      1.666 ppm2      1.039 CV     1
  OR {  407}
    (( segid "    " and resid 104  and name HB2 ))
    (  segid "    " and resid 104  and name HD2%)
  ASSI {  436}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 44   and name HB3 ))
       2.600     0.800     0.800 peak   436 spectrum    3 weight  0.10000E+01 volume  0.41531E-02 ppm1      4.545 ppm2      1.900 CV     1
  OR {  436}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 59   and name HD3 ))
  OR {  436}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 59   and name HD2 ))
  ASSI {  437}
    (( segid "    " and resid 59   and name HB2 ))
    (( segid "    " and resid 59   and name HA  ))
       2.600     0.800     0.800 peak   437 spectrum    3 weight  0.10000E+01 volume  0.82691E-02 ppm1      2.216 ppm2      4.568 CV     1
  OR {  437}
    (( segid "    " and resid 103  and name HG3 ))
    (( segid "    " and resid 104  and name HA  ))
  ASSI {  438}
    (( segid "    " and resid 59   and name HB2 ))
    (( segid "    " and resid 59   and name HB3 ))
       1.800     0.400     0.400 peak   438 spectrum    3 weight  0.10000E+01 volume  0.20378E-01 ppm1      2.220 ppm2      2.002 CV     1
  OR {  438}
    (( segid "    " and resid 27   and name HG3 ))
    (( segid "    " and resid 27   and name HB2 ))
  ASSI {  441}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 27   and name HG2 ))
       2.600     0.900     0.900 peak   441 spectrum    3 weight  0.10000E+01 volume  0.57507E-02 ppm1      1.885 ppm2      2.206 CV     1
  OR {  441}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HG3 ))
  OR {  441}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 27   and name HG3 ))
  OR {  441}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 35   and name HG3 ))
  ASSI {  447}
    (( segid "    " and resid 105  and name HB2 ))
    (( segid "    " and resid 105  and name HB3 ))
       1.600     0.300     0.600 peak   447 spectrum    3 weight  0.10000E+01 volume  0.24539E-01 ppm1      2.858 ppm2      2.583 CV     1
  OR {  447}
    (( segid "    " and resid 60   and name HB2 ))
    (( segid "    " and resid 60   and name HB3 ))
  ASSI {  449}
    (( segid "    " and resid 60   and name HB3 ))
    (  segid "    " and resid 57   and name HD2%)
       2.200     0.600     0.600 peak   449 spectrum    3 weight  0.10000E+01 volume  0.42680E-02 ppm1      2.567 ppm2     -0.074 CV     1
  OR {  449}
    (( segid "    " and resid 99   and name HB3 ))
    (  segid "    " and resid 57   and name HD2%)
  OR {  449}
    (( segid "    " and resid 99   and name HB3 ))
    (( segid "    " and resid 101  and name HG13))
  ASSI {  457}
    (( segid "    " and resid 115  and name HA  ))
    (( segid "    " and resid 115  and name HB2 ))
       2.800     1.000     1.000 peak   457 spectrum    3 weight  0.10000E+01 volume  0.40482E-02 ppm1      4.762 ppm2      2.373 CV     1
  OR {  457}
    (( segid "    " and resid 61   and name HA  ))
    (( segid "    " and resid 61   and name HB2 ))
  ASSI {  458}
    (( segid "    " and resid 61   and name HA  ))
    (( segid "    " and resid 61   and name HB3 ))
       2.500     0.800     0.800 peak   458 spectrum    3 weight  0.10000E+01 volume  0.58006E-02 ppm1      4.761 ppm2      2.087 CV     1
  OR {  458}
    (( segid "    " and resid 115  and name HA  ))
    (( segid "    " and resid 115  and name HG3 ))
  OR {  458}
    (( segid "    " and resid 115  and name HA  ))
    (( segid "    " and resid 116  and name HG3 ))
  ASSI {  463}
    (( segid "    " and resid 61   and name HB2 ))
    (( segid "    " and resid 61   and name HB3 ))
       1.800     0.400     0.400 peak   463 spectrum    3 weight  0.10000E+01 volume  0.22125E-01 ppm1      2.373 ppm2      2.081 CV     1
  OR {  463}
    (( segid "    " and resid 115  and name HB2 ))
    (( segid "    " and resid 115  and name HG3 ))
  OR {  463}
    (( segid "    " and resid 110  and name HB2 ))
    (( segid "    " and resid 110  and name HG2 ))
  ASSI {  466}
    (( segid "    " and resid 61   and name HB3 ))
    (( segid "    " and resid 61   and name HA  ))
       2.500     0.800     0.800 peak   466 spectrum    3 weight  0.10000E+01 volume  0.62075E-02 ppm1      2.090 ppm2      4.758 CV     1
  OR {  466}
    (( segid "    " and resid 53   and name HB2 ))
    (( segid "    " and resid 53   and name HA  ))
  OR {  466}
    (( segid "    " and resid 115  and name HG3 ))
    (( segid "    " and resid 115  and name HA  ))
  OR {  466}
    (( segid "    " and resid 116  and name HG3 ))
    (( segid "    " and resid 115  and name HA  ))
  ASSI {  467}
    (( segid "    " and resid 61   and name HB3 ))
    (( segid "    " and resid 61   and name HB2 ))
       1.800     0.400     0.400 peak   467 spectrum    3 weight  0.10000E+01 volume  0.22725E-01 ppm1      2.086 ppm2      2.369 CV     1
  OR {  467}
    (( segid "    " and resid 115  and name HG3 ))
    (( segid "    " and resid 115  and name HB2 ))
  OR {  467}
    (( segid "    " and resid 116  and name HG3 ))
    (( segid "    " and resid 116  and name HB2 ))
  OR {  467}
    (( segid "    " and resid 110  and name HG2 ))
    (( segid "    " and resid 110  and name HB2 ))
  OR {  467}
    (( segid "    " and resid 116  and name HG2 ))
    (( segid "    " and resid 116  and name HB2 ))
  ASSI {  481}
    (( segid "    " and resid 93   and name HB3 ))
    (( segid "    " and resid 93   and name HA  ))
       2.600     0.800     0.800 peak   481 spectrum    3 weight  0.10000E+01 volume  0.56776E-02 ppm1      2.576 ppm2      4.570 CV     1
  OR {  481}
    (( segid "    " and resid 93   and name HB2 ))
    (( segid "    " and resid 93   and name HA  ))
  OR {  481}
    (( segid "    " and resid 105  and name HB3 ))
    (( segid "    " and resid 33   and name HA  ))
  ASSI {  482}
    (( segid "    " and resid 108  and name HA  ))
    (( segid "    " and resid 108  and name HB3 ))
       2.500     0.800     0.800 peak   482 spectrum    3 weight  0.10000E+01 volume  0.86222E-02 ppm1      4.881 ppm2      2.655 CV     1
  OR {  482}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 63   and name HG2 ))
  OR {  482}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 63   and name HG3 ))
  ASSI {  496}
    (( segid "    " and resid 92   and name HA  ))
    (  segid "    " and resid 92   and name HB% )
       2.500     0.800     0.800 peak   496 spectrum    3 weight  0.10000E+01 volume  0.71401E-02 ppm1      4.225 ppm2      2.498 CV     1
  OR {  496}
    (( segid "    " and resid 69   and name HA  ))
    (( segid "    " and resid 69   and name HB2 ))
  ASSI {  498}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 62   and name HB3 ))
       1.500     0.300     0.700 peak   498 spectrum    3 weight  0.10000E+01 volume  0.44143E-01 ppm1      2.512 ppm2      2.371 CV     1
  OR {  498}
    (( segid "    " and resid 69   and name HB2 ))
    (( segid "    " and resid 69   and name HB3 ))
  ASSI {  502}
    (( segid "    " and resid 106  and name HD2 ))
    (( segid "    " and resid 106  and name HD3 ))
       1.800     0.400     0.400 peak   502 spectrum    3 weight  0.10000E+01 volume  0.18037E-01 ppm1      2.257 ppm2      1.559 CV     1
  OR {  502}
    (( segid "    " and resid 70   and name HB  ))
    (  segid "    " and resid 70   and name HG1%)
  ASSI {  503}
    (( segid "    " and resid 106  and name HD3 ))
    (( segid "    " and resid 106  and name HD2 ))
       1.800     0.400     0.400 peak   503 spectrum    3 weight  0.10000E+01 volume  0.19604E-01 ppm1      1.561 ppm2      2.255 CV     1
  OR {  503}
    (  segid "    " and resid 70   and name HG1%)
    (( segid "    " and resid 70   and name HB  ))
  OR {  503}
    (( segid "    " and resid 106  and name HG2 ))
    (( segid "    " and resid 106  and name HD2 ))
  ASSI {  506}
    (( segid "    " and resid 110  and name HD2 ))
    (( segid "    " and resid 110  and name HG3 ))
       2.300     0.700     0.700 peak   506 spectrum    3 weight  0.10000E+01 volume  0.80617E-02 ppm1      3.838 ppm2      2.061 CV     1
  OR {  506}
    (( segid "    " and resid 115  and name HD2 ))
    (( segid "    " and resid 115  and name HG2 ))
  OR {  506}
    (( segid "    " and resid 115  and name HD2 ))
    (( segid "    " and resid 115  and name HG3 ))
  OR {  506}
    (( segid "    " and resid 116  and name HD2 ))
    (( segid "    " and resid 116  and name HG2 ))
  OR {  506}
    (( segid "    " and resid 110  and name HD2 ))
    (( segid "    " and resid 110  and name HG2 ))
  ASSI {  510}
    (( segid "    " and resid 110  and name HG3 ))
    (( segid "    " and resid 110  and name HD2 ))
       2.300     0.700     0.700 peak   510 spectrum    3 weight  0.10000E+01 volume  0.83277E-02 ppm1      2.065 ppm2      3.836 CV     1
  OR {  510}
    (( segid "    " and resid 115  and name HG3 ))
    (( segid "    " and resid 115  and name HD2 ))
  OR {  510}
    (( segid "    " and resid 116  and name HG2 ))
    (( segid "    " and resid 116  and name HD2 ))
  OR {  510}
    (( segid "    " and resid 110  and name HG2 ))
    (( segid "    " and resid 110  and name HD2 ))
  ASSI {  514}
    (( segid "    " and resid 72   and name HG2 ))
    (( segid "    " and resid 72   and name HA  ))
       2.300     0.700     0.700 peak   514 spectrum    3 weight  0.10000E+01 volume  0.91120E-02 ppm1      1.974 ppm2      3.835 CV     1
  OR {  514}
    (( segid "    " and resid 72   and name HB3 ))
    (( segid "    " and resid 72   and name HA  ))
  OR {  514}
    (( segid "    " and resid 115  and name HB3 ))
    (( segid "    " and resid 115  and name HD2 ))
  OR {  514}
    (( segid "    " and resid 116  and name HB3 ))
    (( segid "    " and resid 116  and name HD2 ))
  ASSI {  516}
    (( segid "    " and resid 72   and name HG3 ))
    (( segid "    " and resid 72   and name HA  ))
       2.700     0.900     0.900 peak   516 spectrum    3 weight  0.10000E+01 volume  0.56723E-02 ppm1      1.747 ppm2      3.836 CV     1
  OR {  516}
    (( segid "    " and resid 114  and name HB2 ))
    (( segid "    " and resid 115  and name HD2 ))
  OR {  516}
    (( segid "    " and resid 114  and name HB3 ))
    (( segid "    " and resid 115  and name HD2 ))
  ASSI {  522}
    (( segid "    " and resid 74   and name HB2 ))
    (( segid "    " and resid 74   and name HB3 ))
       1.700     0.400     0.500 peak   522 spectrum    3 weight  0.10000E+01 volume  0.24661E-01 ppm1      1.819 ppm2      0.895 CV     1
  OR {  522}
    (( segid "    " and resid 104  and name HG  ))
    (  segid "    " and resid 104  and name HD1%)
  ASSI {  528}
    (( segid "    " and resid 111  and name HG3 ))
    (( segid "    " and resid 111  and name HA  ))
       2.700     0.900     0.900 peak   528 spectrum    3 weight  0.10000E+01 volume  0.55004E-02 ppm1      1.451 ppm2      4.175 CV     1
  OR {  528}
    (( segid "    " and resid 74   and name HG3 ))
    (( segid "    " and resid 74   and name HA  ))
  ASSI {  536}
    (( segid "    " and resid 76   and name HA1 ))
    (( segid "    " and resid 76   and name HA2 ))
       1.900     0.400     0.400 peak   536 spectrum    3 weight  0.10000E+01 volume  0.16874E-01 ppm1      3.897 ppm2      3.551 CV     1
  OR {  536}
    (( segid "    " and resid 98   and name HA  ))
    (( segid "    " and resid 98   and name HB  ))
  OR {  536}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 25   and name HB3 ))
  ASSI {  537}
    (( segid "    " and resid 76   and name HA2 ))
    (( segid "    " and resid 76   and name HA1 ))
       1.900     0.500     0.500 peak   537 spectrum    3 weight  0.10000E+01 volume  0.11677E-01 ppm1      3.547 ppm2      3.921 CV     1
  OR {  537}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 25   and name HA  ))
  ASSI {  541}
    (( segid "    " and resid 79   and name HA  ))
    (  segid "    " and resid 79   and name HB% )
       2.000     0.500     0.500 peak   541 spectrum    3 weight  0.10000E+01 volume  0.21163E-01 ppm1      4.452 ppm2      0.189 CV     1
  OR {  541}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 101  and name HG12))
  ASSI {  546}
    (( segid "    " and resid 80   and name HB  ))
    (( segid "    " and resid 80   and name HA  ))
       2.400     0.700     0.700 peak   546 spectrum    3 weight  0.10000E+01 volume  0.58837E-02 ppm1      2.927 ppm2      3.867 CV     1
  OR {  546}
    (( segid "    " and resid 83   and name HB2 ))
    (( segid "    " and resid 80   and name HA  ))
  ASSI {  549}
    (( segid "    " and resid 94   and name HA  ))
    (( segid "    " and resid 94   and name HB3 ))
       2.300     0.600     0.600 peak   549 spectrum    3 weight  0.10000E+01 volume  0.88940E-02 ppm1      4.306 ppm2      2.222 CV     1
  OR {  549}
    (( segid "    " and resid 82   and name HA  ))
    (( segid "    " and resid 82   and name HB2 ))
  ASSI {  563}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 32   and name HB2 ))
       1.800     0.400     0.400 peak   563 spectrum    3 weight  0.10000E+01 volume  0.12748E-01 ppm1      2.412 ppm2      3.131 CV     1
  OR {  563}
    (( segid "    " and resid 84   and name HB3 ))
    (( segid "    " and resid 84   and name HG3 ))
  ASSI {  574}
    (( segid "    " and resid 85   and name HB3 ))
    (( segid "    " and resid 85   and name HA  ))
       2.700     0.900     0.900 peak   574 spectrum    3 weight  0.10000E+01 volume  0.69791E-02 ppm1      2.872 ppm2      4.856 CV     1
  OR {  574}
    (( segid "    " and resid 105  and name HB2 ))
    (( segid "    " and resid 33   and name HB  ))
  ASSI {  576}
    (  segid "    " and resid 86   and name HG2%)
    (( segid "    " and resid 86   and name HB  ))
       2.600     0.800     0.800 peak   576 spectrum    3 weight  0.10000E+01 volume  0.56066E-02 ppm1      1.782 ppm2      4.316 CV     1
  OR {  576}
    (( segid "    " and resid 82   and name HB3 ))
    (( segid "    " and resid 82   and name HA  ))
  ASSI {  586}
    (( segid "    " and resid 107  and name HB3 ))
    (( segid "    " and resid 107  and name HA  ))
       2.500     0.800     0.800 peak   586 spectrum    3 weight  0.10000E+01 volume  0.93421E-02 ppm1      2.603 ppm2      4.465 CV     1
  OR {  586}
    (( segid "    " and resid 93   and name HB2 ))
    (( segid "    " and resid 90   and name HA  ))
  ASSI {  588}
    (( segid "    " and resid 69   and name HG2 ))
    (( segid "    " and resid 69   and name HA  ))
       2.700     0.900     0.900 peak   588 spectrum    3 weight  0.10000E+01 volume  0.51952E-02 ppm1      2.610 ppm2      4.222 CV     1
  OR {  588}
    (( segid "    " and resid 91   and name HB2 ))
    (( segid "    " and resid 92   and name HA  ))
  OR {  588}
    (( segid "    " and resid 91   and name HB3 ))
    (( segid "    " and resid 92   and name HA  ))
  ASSI {  592}
    (( segid "    " and resid 105  and name HB3 ))
    (( segid "    " and resid 106  and name HD2 ))
       2.500     0.800     0.800 peak   592 spectrum    3 weight  0.10000E+01 volume  0.47145E-02 ppm1      2.576 ppm2      2.231 CV     1
  OR {  592}
    (( segid "    " and resid 91   and name HB2 ))
    (( segid "    " and resid 95   and name HB3 ))
  OR {  592}
    (( segid "    " and resid 60   and name HB3 ))
    (( segid "    " and resid 59   and name HB2 ))
  ASSI {  596}
    (( segid "    " and resid 95   and name HB2 ))
    (( segid "    " and resid 95   and name HB3 ))
       1.800     0.400     0.400 peak   596 spectrum    3 weight  0.10000E+01 volume  0.17950E-01 ppm1      2.451 ppm2      2.227 CV     1
  OR {  596}
    (( segid "    " and resid 94   and name HG3 ))
    (( segid "    " and resid 94   and name HB3 ))
  ASSI {  609}
    (( segid "    " and resid 25   and name HB3 ))
    (( segid "    " and resid 25   and name HB2 ))
       1.700     0.400     0.500 peak   609 spectrum    3 weight  0.10000E+01 volume  0.23682E-01 ppm1      3.550 ppm2      3.881 CV     1
  OR {  609}
    (( segid "    " and resid 98   and name HB  ))
    (( segid "    " and resid 98   and name HA  ))
  ASSI {  619}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 40   and name HD1 ))
       2.400     0.700     0.700 peak   619 spectrum    3 weight  0.10000E+01 volume  0.82931E-02 ppm1      3.611 ppm2      6.848 CV     1
  OR {  619}
    (( segid "    " and resid 99   and name HB2 ))
    (  segid "    " and resid 99   and name HE% )
  ASSI {  624}
    (  segid "    " and resid 99   and name HD% )
    (  segid "    " and resid 57   and name HD2%)
       2.100     2.100     3.900 peak   624 spectrum    3 weight  0.10000E+01 volume  0.54630E-02 ppm1      7.062 ppm2     -0.073 CV     1
  OR {  624}
    (  segid "    " and resid 99   and name HD% )
    (( segid "    " and resid 101  and name HG13))
  ASSI {  630}
    (  segid "    " and resid 99   and name HE% )
    (  segid "    " and resid 98   and name HG2%)
       2.800     2.800     3.200 peak   630 spectrum    3 weight  0.10000E+01 volume  0.35107E-02 ppm1      6.849 ppm2      0.897 CV     1
  OR {  630}
    (  segid "    " and resid 32   and name HD% )
    (  segid "    " and resid 104  and name HD1%)
  OR {  630}
    (  segid "    " and resid 31   and name HD% )
    (  segid "    " and resid 104  and name HD1%)
  OR {  630}
    (( segid "    " and resid 52   and name HD2 ))
    (  segid "    " and resid 104  and name HD1%)
  OR {  630}
    (  segid "    " and resid 32   and name HD% )
    (  segid "    " and resid 34   and name HD1%)
  ASSI {  633}
    (( segid "    " and resid 52   and name HD2 ))
    (( segid "    " and resid 52   and name HA  ))
       2.900     1.000     1.000 peak   633 spectrum    3 weight  0.10000E+01 volume  0.43832E-02 ppm1      6.842 ppm2      3.876 CV     1
  OR {  633}
    (  segid "    " and resid 99   and name HE% )
    (( segid "    " and resid 96   and name HA  ))
  ASSI {  640}
    (  segid "    " and resid 75   and name HB% )
    (  segid "    " and resid 46   and name HG2%)
       2.000     0.500     0.500 peak   640 spectrum    3 weight  0.10000E+01 volume  0.22739E-01 ppm1      1.417 ppm2      0.803 CV     1
  OR {  640}
    (( segid "    " and resid 100  and name HB  ))
    (  segid "    " and resid 100  and name HD1%)
  ASSI {  645}
    (  segid "    " and resid 100  and name HD1%)
    (  segid "    " and resid 100  and name HG2%)
       1.900     1.900     4.100 peak   645 spectrum    3 weight  0.10000E+01 volume  0.23089E-01 ppm1      0.799 ppm2      0.730 CV     1
  OR {  645}
    (  segid "    " and resid 48   and name HD2%)
    (( segid "    " and resid 48   and name HB3 ))
  ASSI {  679}
    (( segid "    " and resid 103  and name HB3 ))
    (  segid "    " and resid 31   and name HE% )
       2.500     0.800     0.800 peak   679 spectrum    3 weight  0.10000E+01 volume  0.53568E-02 ppm1      1.720 ppm2      6.585 CV     1
  OR {  679}
    (( segid "    " and resid 109  and name HB2 ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {  680}
    (( segid "    " and resid 104  and name HB2 ))
    (( segid "    " and resid 104  and name HA  ))
       2.400     0.700     0.700 peak   680 spectrum    3 weight  0.10000E+01 volume  0.79045E-02 ppm1      1.681 ppm2      4.568 CV     1
  OR {  680}
    (( segid "    " and resid 59   and name HG2 ))
    (( segid "    " and resid 59   and name HA  ))
  OR {  680}
    (( segid "    " and resid 59   and name HG3 ))
    (( segid "    " and resid 59   and name HA  ))
  ASSI {  682}
    (( segid "    " and resid 34   and name HG  ))
    (  segid "    " and resid 34   and name HD1%)
       2.200     0.600     0.600 peak   682 spectrum    3 weight  0.10000E+01 volume  0.10856E-01 ppm1      1.675 ppm2      0.889 CV     1
  OR {  682}
    (( segid "    " and resid 112  and name HG  ))
    (  segid "    " and resid 112  and name HD2%)
  OR {  682}
    (( segid "    " and resid 119  and name HG  ))
    (  segid "    " and resid 119  and name HD2%)
  OR {  682}
    (( segid "    " and resid 112  and name HB3 ))
    (  segid "    " and resid 112  and name HD2%)
  OR {  682}
    (( segid "    " and resid 34   and name HB2 ))
    (  segid "    " and resid 34   and name HD1%)
  OR {  682}
    (( segid "    " and resid 112  and name HB2 ))
    (  segid "    " and resid 112  and name HD2%)
  OR {  682}
    (( segid "    " and resid 119  and name HB2 ))
    (  segid "    " and resid 119  and name HD2%)
  ASSI {  683}
    (( segid "    " and resid 54   and name HB  ))
    (  segid "    " and resid 37   and name HD1%)
       2.100     2.100     3.900 peak   683 spectrum    3 weight  0.10000E+01 volume  0.16604E-01 ppm1      1.040 ppm2      0.726 CV     1
  OR {  683}
    (  segid "    " and resid 104  and name HD2%)
    (  segid "    " and resid 49   and name HD1%)
  OR {  683}
    (( segid "    " and resid 54   and name HB  ))
    (  segid "    " and resid 37   and name HG2%)
  ASSI {  688}
    (( segid "    " and resid 105  and name HB2 ))
    (( segid "    " and resid 33   and name HA  ))
       2.400     0.700     0.700 peak   688 spectrum    3 weight  0.10000E+01 volume  0.45130E-02 ppm1      2.865 ppm2      4.576 CV     1
  OR {  688}
    (( segid "    " and resid 105  and name HB2 ))
    (( segid "    " and resid 104  and name HA  ))
  ASSI {  693}
    (( segid "    " and resid 44   and name HD2 ))
    (( segid "    " and resid 44   and name HG2 ))
       2.100     0.600     0.600 peak   693 spectrum    3 weight  0.10000E+01 volume  0.18226E-01 ppm1      1.739 ppm2      1.540 CV     1
  OR {  693}
    (( segid "    " and resid 44   and name HD3 ))
    (( segid "    " and resid 44   and name HG3 ))
  OR {  693}
    (( segid "    " and resid 44   and name HD2 ))
    (( segid "    " and resid 44   and name HG3 ))
  OR {  693}
    (( segid "    " and resid 44   and name HD3 ))
    (( segid "    " and resid 44   and name HG2 ))
  OR {  693}
    (( segid "    " and resid 106  and name HB3 ))
    (( segid "    " and resid 106  and name HG2 ))
  ASSI {  697}
    (( segid "    " and resid 106  and name HG2 ))
    (( segid "    " and resid 106  and name HG3 ))
       1.800     0.400     0.400 peak   697 spectrum    3 weight  0.10000E+01 volume  0.17246E-01 ppm1      1.552 ppm2      1.380 CV     1
  OR {  697}
    (( segid "    " and resid 106  and name HD3 ))
    (( segid "    " and resid 106  and name HG3 ))
  OR {  697}
    (( segid "    " and resid 53   and name HG2 ))
    (( segid "    " and resid 53   and name HB3 ))
  ASSI {  701}
    (( segid "    " and resid 106  and name HG3 ))
    (( segid "    " and resid 106  and name HD2 ))
       2.700     0.900     0.900 peak   701 spectrum    3 weight  0.10000E+01 volume  0.73101E-02 ppm1      1.397 ppm2      2.252 CV     1
  OR {  701}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 41   and name HB2 ))
  ASSI {  703}
    (( segid "    " and resid 108  and name HA  ))
    (( segid "    " and resid 108  and name HB2 ))
       2.500     0.800     0.800 peak   703 spectrum    3 weight  0.10000E+01 volume  0.69259E-02 ppm1      4.870 ppm2      2.861 CV     1
  OR {  703}
    (( segid "    " and resid 85   and name HA  ))
    (( segid "    " and resid 85   and name HB3 ))
  ASSI {  704}
    (( segid "    " and resid 109  and name HB3 ))
    (( segid "    " and resid 106  and name HB3 ))
       2.700     0.900     0.900 peak   704 spectrum    3 weight  0.10000E+01 volume  0.58111E-02 ppm1      1.118 ppm2      1.731 CV     1
  OR {  704}
    (( segid "    " and resid 109  and name HG2 ))
    (( segid "    " and resid 106  and name HB3 ))
  OR {  704}
    (( segid "    " and resid 109  and name HG3 ))
    (( segid "    " and resid 106  and name HB3 ))
  OR {  704}
    (( segid "    " and resid 109  and name HG3 ))
    (( segid "    " and resid 114  and name HB3 ))
  OR {  704}
    (( segid "    " and resid 109  and name HG2 ))
    (( segid "    " and resid 114  and name HB3 ))
  OR {  704}
    (( segid "    " and resid 109  and name HG2 ))
    (( segid "    " and resid 114  and name HD2 ))
  OR {  704}
    (( segid "    " and resid 109  and name HB3 ))
    (( segid "    " and resid 114  and name HB3 ))
  ASSI {  708}
    (( segid "    " and resid 115  and name HB2 ))
    (( segid "    " and resid 115  and name HB3 ))
       2.200     0.600     0.600 peak   708 spectrum    3 weight  0.10000E+01 volume  0.59899E-02 ppm1      2.393 ppm2      1.945 CV     1
  OR {  708}
    (( segid "    " and resid 73   and name HG2 ))
    (( segid "    " and resid 73   and name HB3 ))
  ASSI {  709}
    (( segid "    " and resid 64   and name HB2 ))
    (( segid "    " and resid 64   and name HA  ))
       2.700     0.900     0.900 peak   709 spectrum    3 weight  0.10000E+01 volume  0.65245E-02 ppm1      2.404 ppm2      4.462 CV     1
  OR {  709}
    (( segid "    " and resid 110  and name HB2 ))
    (( segid "    " and resid 110  and name HA  ))
  ASSI {  710}
    (( segid "    " and resid 115  and name HB3 ))
    (( segid "    " and resid 115  and name HB2 ))
       2.200     0.600     0.600 peak   710 spectrum    3 weight  0.10000E+01 volume  0.62863E-02 ppm1      1.951 ppm2      2.402 CV     1
  OR {  710}
    (( segid "    " and resid 73   and name HB3 ))
    (( segid "    " and resid 73   and name HG2 ))
  OR {  710}
    (( segid "    " and resid 73   and name HB2 ))
    (( segid "    " and resid 73   and name HG2 ))
  ASSI {  712}
    (( segid "    " and resid 115  and name HD3 ))
    (( segid "    " and resid 115  and name HD2 ))
       1.900     0.400     0.400 peak   712 spectrum    3 weight  0.10000E+01 volume  0.15405E-01 ppm1      3.645 ppm2      3.864 CV     1
  OR {  712}
    (( segid "    " and resid 52   and name HB2 ))
    (( segid "    " and resid 52   and name HA  ))
  ASSI {  714}
    (( segid "    " and resid 115  and name HD3 ))
    (( segid "    " and resid 115  and name HD2 ))
       1.900     0.400     0.400 peak   714 spectrum    3 weight  0.10000E+01 volume  0.11011E-01 ppm1      3.682 ppm2      3.830 CV     1
  OR {  714}
    (( segid "    " and resid 116  and name HD3 ))
    (( segid "    " and resid 116  and name HD2 ))
  ASSI {   25}
    (  segid "    " and resid 57   and name HD2%)
    (( segid "    " and resid 56   and name HN  ))
       3.500     1.600     1.600 peak    25 spectrum    4 weight  0.10000E+01 volume  0.12160E-02 ppm1     -0.103 ppm2      8.126 CV     1
  OR {   25}
    (( segid "    " and resid 101  and name HG13))
    (( segid "    " and resid 56   and name HN  ))
  ASSI {   40}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 83   and name HN  ))
       4.100     2.100     1.900 peak    40 spectrum    4 weight  0.10000E+01 volume  0.63875E-03 ppm1      0.161 ppm2      7.974 CV     1
  OR {   40}
    (( segid "    " and resid 50   and name HB3 ))
    (( segid "    " and resid 83   and name HN  ))
  ASSI {   66}
    (  segid "    " and resid 49   and name HG2%)
    (( segid "    " and resid 79   and name HN  ))
       3.900     1.900     1.900 peak    66 spectrum    4 weight  0.10000E+01 volume  0.12475E-02 ppm1      0.688 ppm2      8.307 CV     1
  OR {   66}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 79   and name HN  ))
  OR {   66}
    (( segid "    " and resid 48   and name HB3 ))
    (( segid "    " and resid 79   and name HN  ))
  ASSI {   68}
    (  segid "    " and resid 49   and name HG2%)
    (( segid "    " and resid 80   and name HN  ))
       4.400     2.400     1.600 peak    68 spectrum    4 weight  0.10000E+01 volume  0.57545E-03 ppm1      0.700 ppm2      7.837 CV     1
  OR {   68}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 80   and name HN  ))
  OR {   68}
    (( segid "    " and resid 48   and name HB3 ))
    (( segid "    " and resid 80   and name HN  ))
  ASSI {   69}
    (( segid "    " and resid 48   and name HB3 ))
    (( segid "    " and resid 49   and name HN  ))
       3.300     1.300     1.300 peak    69 spectrum    4 weight  0.10000E+01 volume  0.51573E-02 ppm1      0.701 ppm2      7.982 CV     1
  OR {   69}
    (  segid "    " and resid 49   and name HG2%)
    (( segid "    " and resid 49   and name HN  ))
  ASSI {   71}
    (  segid "    " and resid 100  and name HG2%)
    (( segid "    " and resid 102  and name HN  ))
       2.400     2.400     3.600 peak    71 spectrum    4 weight  0.10000E+01 volume  0.10577E-01 ppm1      0.706 ppm2      7.295 CV     1
  OR {   71}
    (  segid "    " and resid 101  and name HG2%)
    (( segid "    " and resid 102  and name HN  ))
  ASSI {   76}
    (( segid "    " and resid 48   and name HB3 ))
    (( segid "    " and resid 77   and name HN  ))
       3.500     1.600     1.600 peak    76 spectrum    4 weight  0.10000E+01 volume  0.20470E-02 ppm1      0.719 ppm2      7.365 CV     1
  OR {   76}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 77   and name HN  ))
  ASSI {   77}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 78   and name HN  ))
       3.300     1.400     1.400 peak    77 spectrum    4 weight  0.10000E+01 volume  0.22170E-02 ppm1      0.719 ppm2      8.271 CV     1
  OR {   77}
    (( segid "    " and resid 48   and name HB3 ))
    (( segid "    " and resid 78   and name HN  ))
  ASSI {   78}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 47   and name HN  ))
       3.900     1.900     1.900 peak    78 spectrum    4 weight  0.10000E+01 volume  0.11156E-02 ppm1      0.728 ppm2      8.793 CV     1
  OR {   78}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 55   and name HN  ))
  OR {   78}
    (  segid "    " and resid 37   and name HD1%)
    (( segid "    " and resid 55   and name HN  ))
  OR {   78}
    (( segid "    " and resid 48   and name HB3 ))
    (( segid "    " and resid 55   and name HN  ))
  OR {   78}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 55   and name HN  ))
  ASSI {   81}
    (( segid "    " and resid 48   and name HB3 ))
    (( segid "    " and resid 48   and name HN  ))
       3.000     1.100     1.100 peak    81 spectrum    4 weight  0.10000E+01 volume  0.32277E-02 ppm1      0.746 ppm2      8.457 CV     1
  OR {   81}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 48   and name HN  ))
  ASSI {   89}
    (  segid "    " and resid 100  and name HD1%)
    (( segid "    " and resid 99   and name HN  ))
       2.600     2.600     3.400 peak    89 spectrum    4 weight  0.10000E+01 volume  0.16610E-02 ppm1      0.795 ppm2      7.288 CV     1
  OR {   89}
    (  segid "    " and resid 48   and name HD2%)
    (( segid "    " and resid 99   and name HN  ))
  ASSI {   90}
    (( segid "    " and resid 74   and name HB3 ))
    (( segid "    " and resid 75   and name HN  ))
       3.400     1.500     1.500 peak    90 spectrum    4 weight  0.10000E+01 volume  0.33357E-02 ppm1      0.822 ppm2      6.875 CV     1
  OR {   90}
    (  segid "    " and resid 46   and name HG2%)
    (( segid "    " and resid 75   and name HN  ))
  ASSI {   91}
    (  segid "    " and resid 98   and name HG2%)
    (( segid "    " and resid 97   and name HN  ))
       2.500     2.500     3.500 peak    91 spectrum    4 weight  0.10000E+01 volume  0.15714E-02 ppm1      0.840 ppm2      7.191 CV     1
  OR {   91}
    (  segid "    " and resid 48   and name HD2%)
    (( segid "    " and resid 97   and name HN  ))
  ASSI {   98}
    (  segid "    " and resid 120  and name HG2%)
    (( segid "    " and resid 120  and name HN  ))
       3.700     1.700     1.700 peak    98 spectrum    4 weight  0.10000E+01 volume  0.13443E-02 ppm1      0.901 ppm2      8.123 CV     1
  OR {   98}
    (  segid "    " and resid 120  and name HD1%)
    (( segid "    " and resid 120  and name HN  ))
  OR {   98}
    (  segid "    " and resid 119  and name HD2%)
    (( segid "    " and resid 120  and name HN  ))
  ASSI {  103}
    (  segid "    " and resid 98   and name HG2%)
    (( segid "    " and resid 97   and name HN  ))
       2.500     2.500     3.500 peak   103 spectrum    4 weight  0.10000E+01 volume  0.19144E-02 ppm1      0.908 ppm2      7.211 CV     1
  OR {  103}
    (  segid "    " and resid 112  and name HD2%)
    (( segid "    " and resid 109  and name HN  ))
  OR {  103}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 109  and name HN  ))
  ASSI {  104}
    (  segid "    " and resid 104  and name HD1%)
    (( segid "    " and resid 34   and name HN  ))
       3.200     1.300     1.300 peak   104 spectrum    4 weight  0.10000E+01 volume  0.27072E-02 ppm1      0.924 ppm2      9.700 CV     1
  OR {  104}
    (  segid "    " and resid 104  and name HD2%)
    (( segid "    " and resid 34   and name HN  ))
  OR {  104}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  118}
    (( segid "    " and resid 54   and name HB  ))
    (( segid "    " and resid 32   and name HN  ))
       4.000     2.000     2.000 peak   118 spectrum    4 weight  0.10000E+01 volume  0.87798E-03 ppm1      1.004 ppm2      8.604 CV     1
  OR {  118}
    (( segid "    " and resid 37   and name HG13))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  119}
    (( segid "    " and resid 37   and name HG13))
    (( segid "    " and resid 105  and name HN  ))
       3.000     3.000     3.000 peak   119 spectrum    4 weight  0.10000E+01 volume  0.38950E-02 ppm1      1.004 ppm2      9.083 CV     1
  OR {  119}
    (( segid "    " and resid 54   and name HB  ))
    (( segid "    " and resid 105  and name HN  ))
  ASSI {  141}
    (( segid "    " and resid 50   and name HB2 ))
    (( segid "    " and resid 50   and name HN  ))
       2.800     1.000     1.000 peak   141 spectrum    4 weight  0.10000E+01 volume  0.18497E-02 ppm1      1.267 ppm2      8.361 CV     1
  OR {  141}
    (( segid "    " and resid 49   and name HG12))
    (( segid "    " and resid 50   and name HN  ))
  ASSI {  146}
    (( segid "    " and resid 50   and name HB2 ))
    (( segid "    " and resid 52   and name HN  ))
       4.500     2.600     1.500 peak   146 spectrum    4 weight  0.10000E+01 volume  0.46447E-03 ppm1      1.286 ppm2      8.476 CV     1
  OR {  146}
    (( segid "    " and resid 49   and name HB  ))
    (( segid "    " and resid 52   and name HN  ))
  OR {  146}
    (( segid "    " and resid 49   and name HG12))
    (( segid "    " and resid 52   and name HN  ))
  ASSI {  166}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 41   and name HN  ))
       3.800     1.800     1.800 peak   166 spectrum    4 weight  0.10000E+01 volume  0.12211E-02 ppm1      1.386 ppm2      7.394 CV     1
  OR {  166}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 41   and name HN  ))
  OR {  166}
    (( segid "    " and resid 39   and name HG3 ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI {  168}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 74   and name HN  ))
       3.500     1.500     1.500 peak   168 spectrum    4 weight  0.10000E+01 volume  0.31654E-02 ppm1      1.396 ppm2      6.623 CV     1
  OR {  168}
    (( segid "    " and resid 74   and name HG3 ))
    (( segid "    " and resid 74   and name HN  ))
  ASSI {  172}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 73   and name HN  ))
       3.000     3.000     3.000 peak   172 spectrum    4 weight  0.10000E+01 volume  0.16563E-02 ppm1      1.430 ppm2      8.113 CV     1
  OR {  172}
    (( segid "    " and resid 74   and name HG3 ))
    (( segid "    " and resid 73   and name HN  ))
  ASSI {  176}
    (( segid "    " and resid 120  and name HG12))
    (( segid "    " and resid 120  and name HN  ))
       3.200     1.300     1.300 peak   176 spectrum    4 weight  0.10000E+01 volume  0.24527E-02 ppm1      1.474 ppm2      8.119 CV     1
  OR {  176}
    (( segid "    " and resid 114  and name HG2 ))
    (( segid "    " and resid 114  and name HN  ))
  OR {  176}
    (( segid "    " and resid 114  and name HG3 ))
    (( segid "    " and resid 114  and name HN  ))
  ASSI {  179}
    (( segid "    " and resid 53   and name HG3 ))
    (( segid "    " and resid 53   and name HN  ))
       2.700     0.900     0.900 peak   179 spectrum    4 weight  0.10000E+01 volume  0.52002E-02 ppm1      1.509 ppm2      8.237 CV     1
  OR {  179}
    (( segid "    " and resid 53   and name HG2 ))
    (( segid "    " and resid 53   and name HN  ))
  OR {  179}
    (  segid "    " and resid 90   and name HG2%)
    (( segid "    " and resid 91   and name HN  ))
  ASSI {  195}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HN  ))
       2.400     0.700     0.700 peak   195 spectrum    4 weight  0.10000E+01 volume  0.87882E-02 ppm1      1.564 ppm2      7.986 CV     1
  OR {  195}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HN  ))
  OR {  195}
    (( segid "    " and resid 29   and name HB  ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  202}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 32   and name HN  ))
       4.200     2.200     1.800 peak   202 spectrum    4 weight  0.10000E+01 volume  0.61879E-03 ppm1      1.588 ppm2      8.597 CV     1
  OR {  202}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 32   and name HN  ))
  OR {  202}
    (( segid "    " and resid 30   and name HD3 ))
    (( segid "    " and resid 32   and name HN  ))
  OR {  202}
    (( segid "    " and resid 30   and name HD2 ))
    (( segid "    " and resid 32   and name HN  ))
  OR {  202}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  205}
    (  segid "    " and resid 90   and name HG2%)
    (( segid "    " and resid 91   and name HN  ))
       3.000     1.100     1.100 peak   205 spectrum    4 weight  0.10000E+01 volume  0.43069E-02 ppm1      1.595 ppm2      8.237 CV     1
  OR {  205}
    (( segid "    " and resid 53   and name HD3 ))
    (( segid "    " and resid 53   and name HN  ))
  OR {  205}
    (( segid "    " and resid 53   and name HD2 ))
    (( segid "    " and resid 53   and name HN  ))
  ASSI {  219}
    (( segid "    " and resid 104  and name HB2 ))
    (( segid "    " and resid 52   and name HN  ))
       2.900     2.900     3.100 peak   219 spectrum    4 weight  0.10000E+01 volume  0.61297E-03 ppm1      1.650 ppm2      8.479 CV     1
  OR {  219}
    (( segid "    " and resid 104  and name HG  ))
    (( segid "    " and resid 52   and name HN  ))
  OR {  219}
    (( segid "    " and resid 112  and name HB3 ))
    (( segid "    " and resid 52   and name HN  ))
  OR {  219}
    (( segid "    " and resid 34   and name HG  ))
    (( segid "    " and resid 52   and name HN  ))
  OR {  219}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 52   and name HN  ))
  ASSI {  225}
    (( segid "    " and resid 57   and name HB2 ))
    (( segid "    " and resid 60   and name HN  ))
       3.600     1.700     1.700 peak   225 spectrum    4 weight  0.10000E+01 volume  0.16746E-02 ppm1      1.672 ppm2      8.079 CV     1
  OR {  225}
    (( segid "    " and resid 59   and name HG2 ))
    (( segid "    " and resid 60   and name HN  ))
  ASSI {  227}
    (( segid "    " and resid 104  and name HB2 ))
    (( segid "    " and resid 104  and name HN  ))
       2.400     0.700     0.700 peak   227 spectrum    4 weight  0.10000E+01 volume  0.62041E-02 ppm1      1.680 ppm2      8.728 CV     1
  OR {  227}
    (( segid "    " and resid 103  and name HB3 ))
    (( segid "    " and resid 104  and name HN  ))
  ASSI {  240}
    (( segid "    " and resid 82   and name HB3 ))
    (( segid "    " and resid 83   and name HN  ))
       2.900     1.100     1.100 peak   240 spectrum    4 weight  0.10000E+01 volume  0.27006E-02 ppm1      1.757 ppm2      7.974 CV     1
  OR {  240}
    (( segid "    " and resid 114  and name HB3 ))
    (( segid "    " and resid 113  and name HN  ))
  ASSI {  243}
    (  segid "    " and resid 86   and name HG2%)
    (( segid "    " and resid 85   and name HN  ))
       4.300     2.300     1.700 peak   243 spectrum    4 weight  0.10000E+01 volume  0.75168E-03 ppm1      1.780 ppm2      8.931 CV     1
  OR {  243}
    (( segid "    " and resid 82   and name HB3 ))
    (( segid "    " and resid 85   and name HN  ))
  ASSI {  244}
    (( segid "    " and resid 101  and name HB  ))
    (( segid "    " and resid 101  and name HN  ))
       3.100     1.200     1.200 peak   244 spectrum    4 weight  0.10000E+01 volume  0.42294E-02 ppm1      1.784 ppm2      8.540 CV     1
  OR {  244}
    (( segid "    " and resid 82   and name HB3 ))
    (( segid "    " and resid 81   and name HN  ))
  ASSI {  246}
    (( segid "    " and resid 82   and name HB3 ))
    (( segid "    " and resid 82   and name HN  ))
       2.400     0.700     0.700 peak   246 spectrum    4 weight  0.10000E+01 volume  0.83012E-02 ppm1      1.803 ppm2      7.654 CV     1
  OR {  246}
    (( segid "    " and resid 81   and name HB2 ))
    (( segid "    " and resid 82   and name HN  ))
  ASSI {  249}
    (  segid "    " and resid 86   and name HG2%)
    (( segid "    " and resid 86   and name HN  ))
       2.800     1.000     1.000 peak   249 spectrum    4 weight  0.10000E+01 volume  0.42272E-02 ppm1      1.814 ppm2      8.091 CV     1
  OR {  249}
    (( segid "    " and resid 37   and name HB  ))
    (( segid "    " and resid 38   and name HN  ))
  ASSI {  250}
    (( segid "    " and resid 55   and name HB3 ))
    (( segid "    " and resid 55   and name HN  ))
       3.500     1.500     1.500 peak   250 spectrum    4 weight  0.10000E+01 volume  0.18716E-02 ppm1      1.823 ppm2      8.786 CV     1
  OR {  250}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 47   and name HN  ))
  ASSI {  260}
    (( segid "    " and resid 55   and name HB3 ))
    (( segid "    " and resid 48   and name HN  ))
       4.500     2.600     1.500 peak   260 spectrum    4 weight  0.10000E+01 volume  0.97316E-03 ppm1      1.851 ppm2      8.456 CV     1
  OR {  260}
    (( segid "    " and resid 37   and name HB  ))
    (( segid "    " and resid 48   and name HN  ))
  ASSI {  264}
    (( segid "    " and resid 97   and name HB2 ))
    (( segid "    " and resid 99   and name HN  ))
       3.800     1.800     1.800 peak   264 spectrum    4 weight  0.10000E+01 volume  0.11619E-02 ppm1      1.869 ppm2      7.286 CV     1
  OR {  264}
    (( segid "    " and resid 97   and name HB3 ))
    (( segid "    " and resid 99   and name HN  ))
  OR {  264}
    (( segid "    " and resid 55   and name HB3 ))
    (( segid "    " and resid 99   and name HN  ))
  ASSI {  281}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 38   and name HN  ))
       2.800     1.000     1.000 peak   281 spectrum    4 weight  0.10000E+01 volume  0.64267E-02 ppm1      1.955 ppm2      8.091 CV     1
  OR {  281}
    (( segid "    " and resid 117  and name HB3 ))
    (( segid "    " and resid 118  and name HN  ))
  OR {  281}
    (( segid "    " and resid 117  and name HB2 ))
    (( segid "    " and resid 118  and name HN  ))
  ASSI {  284}
    (( segid "    " and resid 73   and name HB3 ))
    (( segid "    " and resid 75   and name HN  ))
       3.800     1.800     1.800 peak   284 spectrum    4 weight  0.10000E+01 volume  0.24216E-02 ppm1      1.960 ppm2      6.875 CV     1
  OR {  284}
    (( segid "    " and resid 74   and name HG2 ))
    (( segid "    " and resid 75   and name HN  ))
  OR {  284}
    (( segid "    " and resid 72   and name HB3 ))
    (( segid "    " and resid 75   and name HN  ))
  OR {  284}
    (( segid "    " and resid 73   and name HB2 ))
    (( segid "    " and resid 75   and name HN  ))
  ASSI {  285}
    (( segid "    " and resid 73   and name HB3 ))
    (( segid "    " and resid 73   and name HN  ))
       2.100     0.500     0.500 peak   285 spectrum    4 weight  0.10000E+01 volume  0.20495E-01 ppm1      1.961 ppm2      8.114 CV     1
  OR {  285}
    (( segid "    " and resid 73   and name HB2 ))
    (( segid "    " and resid 73   and name HN  ))
  OR {  285}
    (( segid "    " and resid 123  and name HB  ))
    (( segid "    " and resid 123  and name HN  ))
  ASSI {  289}
    (( segid "    " and resid 73   and name HB3 ))
    (( segid "    " and resid 74   and name HN  ))
       2.700     0.900     0.900 peak   289 spectrum    4 weight  0.10000E+01 volume  0.56240E-02 ppm1      1.969 ppm2      6.622 CV     1
  OR {  289}
    (( segid "    " and resid 74   and name HG2 ))
    (( segid "    " and resid 74   and name HN  ))
  OR {  289}
    (( segid "    " and resid 73   and name HB2 ))
    (( segid "    " and resid 74   and name HN  ))
  ASSI {  298}
    (( segid "    " and resid 72   and name HB3 ))
    (( segid "    " and resid 69   and name HN  ))
       2.600     2.600     3.400 peak   298 spectrum    4 weight  0.10000E+01 volume  0.91419E-03 ppm1      1.982 ppm2      9.523 CV     1
  OR {  298}
    (( segid "    " and resid 72   and name HG2 ))
    (( segid "    " and resid 69   and name HN  ))
!  OR {  298}
!    (( segid "    " and resid 73   and name HB2 ))
!    (( segid "    " and resid 69   and name HN  ))
  OR {  298}
    (( segid "    " and resid 72   and name HB2 ))
    (( segid "    " and resid 69   and name HN  ))
  ASSI {  313}
    (( segid "    " and resid 53   and name HB2 ))
    (( segid "    " and resid 54   and name HN  ))
       3.800     1.800     1.800 peak   313 spectrum    4 weight  0.10000E+01 volume  0.21845E-02 ppm1      2.125 ppm2      8.241 CV     1
  OR {  313}
    (( segid "    " and resid 103  and name HG3 ))
    (( segid "    " and resid 54   and name HN  ))
  OR {  313}
    (( segid "    " and resid 103  and name HB2 ))
    (( segid "    " and resid 54   and name HN  ))
  ASSI {  328}
    (( segid "    " and resid 82   and name HB2 ))
    (( segid "    " and resid 82   and name HN  ))
       2.900     1.100     1.100 peak   328 spectrum    4 weight  0.10000E+01 volume  0.38841E-02 ppm1      2.196 ppm2      7.654 CV     1
  OR {  328}
    (( segid "    " and resid 81   and name HG2 ))
    (( segid "    " and resid 82   and name HN  ))
  ASSI {  329}
    (( segid "    " and resid 78   and name HB3 ))
    (( segid "    " and resid 80   and name HN  ))
       4.400     2.400     1.600 peak   329 spectrum    4 weight  0.10000E+01 volume  0.46584E-03 ppm1      2.219 ppm2      7.831 CV     1
  OR {  329}
    (( segid "    " and resid 81   and name HG3 ))
    (( segid "    " and resid 80   and name HN  ))
  OR {  329}
    (( segid "    " and resid 81   and name HG2 ))
    (( segid "    " and resid 80   and name HN  ))
  ASSI {  333}
    (( segid "    " and resid 95   and name HB3 ))
    (( segid "    " and resid 95   and name HN  ))
       2.100     0.600     0.600 peak   333 spectrum    4 weight  0.10000E+01 volume  0.11598E-01 ppm1      2.222 ppm2      8.475 CV     1
  OR {  333}
    (( segid "    " and resid 94   and name HB2 ))
    (( segid "    " and resid 95   and name HN  ))
  ASSI {  335}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 42   and name HN  ))
       4.200     2.200     1.800 peak   335 spectrum    4 weight  0.10000E+01 volume  0.85117E-03 ppm1      2.225 ppm2      7.491 CV     1
  OR {  335}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI {  341}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HN  ))
       3.300     1.300     1.300 peak   341 spectrum    4 weight  0.10000E+01 volume  0.28186E-02 ppm1      2.235 ppm2      7.397 CV     1
  OR {  341}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI {  342}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 47   and name HN  ))
       3.500     1.600     1.600 peak   342 spectrum    4 weight  0.10000E+01 volume  0.14604E-02 ppm1      2.250 ppm2      8.787 CV     1
  OR {  342}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 47   and name HN  ))
!  ASSI {  349}
!    (( segid "    " and resid 36   and name HB2 ))
!    (( segid "    " and resid 105  and name HN  ))
!       4.200     2.200     1.800 peak   349 spectrum    4 weight  0.10000E+01 volume  0.80471E-03 ppm1      2.267 ppm2      9.083 CV     1
!  OR {  349}
!    (( segid "    " and resid 35   and name HG3 ))
!    (( segid "    " and resid 105  and name HN  ))
!  OR {  349}
!    (( segid "    " and resid 35   and name HG2 ))
!    (( segid "    " and resid 105  and name HN  ))
!  OR {  349}
!    (( segid "    " and resid 36   and name HB3 ))
!    (( segid "    " and resid 105  and name HN  ))
  ASSI {  362}
    (( segid "    " and resid 62   and name HB3 ))
    (( segid "    " and resid 62   and name HN  ))
       2.200     0.600     0.600 peak   362 spectrum    4 weight  0.10000E+01 volume  0.19835E-01 ppm1      2.383 ppm2      8.504 CV     1
  OR {  362}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 62   and name HN  ))
  OR {  362}
    (( segid "    " and resid 63   and name HB2 ))
    (( segid "    " and resid 62   and name HN  ))
  ASSI {  365}
    (( segid "    " and resid 62   and name HB3 ))
    (( segid "    " and resid 62   and name HN  ))
       2.300     0.600     0.600 peak   365 spectrum    4 weight  0.10000E+01 volume  0.18589E-01 ppm1      2.408 ppm2      8.504 CV     1
  OR {  365}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 62   and name HN  ))
  OR {  365}
    (( segid "    " and resid 61   and name HG  ))
    (( segid "    " and resid 62   and name HN  ))
  OR {  365}
    (( segid "    " and resid 63   and name HB2 ))
    (( segid "    " and resid 62   and name HN  ))
  ASSI {  367}
    (( segid "    " and resid 63   and name HB2 ))
    (( segid "    " and resid 63   and name HN  ))
       2.400     0.700     0.700 peak   367 spectrum    4 weight  0.10000E+01 volume  0.86670E-02 ppm1      2.427 ppm2      8.249 CV     1
  OR {  367}
    (( segid "    " and resid 63   and name HB3 ))
    (( segid "    " and resid 63   and name HN  ))
  OR {  367}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 63   and name HN  ))
  OR {  367}
    (( segid "    " and resid 62   and name HB3 ))
    (( segid "    " and resid 63   and name HN  ))
  ASSI {  371}
    (( segid "    " and resid 64   and name HB2 ))
    (( segid "    " and resid 64   and name HN  ))
       3.200     1.300     1.300 peak   371 spectrum    4 weight  0.10000E+01 volume  0.31909E-02 ppm1      2.449 ppm2      8.861 CV     1
  OR {  371}
    (( segid "    " and resid 63   and name HB2 ))
    (( segid "    " and resid 64   and name HN  ))
  ASSI {  374}
    (( segid "    " and resid 38   and name HG2 ))
    (( segid "    " and resid 38   and name HN  ))
       3.000     1.100     1.100 peak   374 spectrum    4 weight  0.10000E+01 volume  0.54428E-02 ppm1      2.490 ppm2      8.092 CV     1
  OR {  374}
    (  segid "    " and resid 86   and name HG1%)
    (( segid "    " and resid 86   and name HN  ))
  OR {  374}
    (( segid "    " and resid 38   and name HG3 ))
    (( segid "    " and resid 38   and name HN  ))
  ASSI {  377}
    (( segid "    " and resid 69   and name HB2 ))
    (( segid "    " and resid 70   and name HN  ))
       2.900     1.000     1.000 peak   377 spectrum    4 weight  0.10000E+01 volume  0.37486E-02 ppm1      2.506 ppm2      9.216 CV     1
  OR {  377}
    (( segid "    " and resid 71   and name HG  ))
    (( segid "    " and resid 70   and name HN  ))
  OR {  377}
    (( segid "    " and resid 69   and name HB3 ))
    (( segid "    " and resid 70   and name HN  ))
  ASSI {  384}
    (( segid "    " and resid 94   and name HG3 ))
    (( segid "    " and resid 97   and name HN  ))
       4.000     2.000     2.000 peak   384 spectrum    4 weight  0.10000E+01 volume  0.12474E-02 ppm1      2.531 ppm2      7.192 CV     1
  OR {  384}
    (( segid "    " and resid 94   and name HG2 ))
    (( segid "    " and resid 97   and name HN  ))
  OR {  384}
    (  segid "    " and resid 92   and name HB% )
    (( segid "    " and resid 97   and name HN  ))
  OR {  384}
    (( segid "    " and resid 93   and name HB3 ))
    (( segid "    " and resid 97   and name HN  ))
  OR {  384}
    (( segid "    " and resid 99   and name HB3 ))
    (( segid "    " and resid 97   and name HN  ))
  ASSI {  386}
    (( segid "    " and resid 94   and name HG2 ))
    (( segid "    " and resid 94   and name HN  ))
       2.300     0.700     0.700 peak   386 spectrum    4 weight  0.10000E+01 volume  0.12519E-01 ppm1      2.538 ppm2      9.033 CV     1
  OR {  386}
    (( segid "    " and resid 94   and name HG3 ))
    (( segid "    " and resid 94   and name HN  ))
  OR {  386}
    (( segid "    " and resid 93   and name HB2 ))
    (( segid "    " and resid 94   and name HN  ))
  OR {  386}
    (( segid "    " and resid 93   and name HB3 ))
    (( segid "    " and resid 94   and name HN  ))
  ASSI {  388}
    (  segid "    " and resid 92   and name HB% )
    (( segid "    " and resid 92   and name HN  ))
       2.600     0.900     0.900 peak   388 spectrum    4 weight  0.10000E+01 volume  0.48490E-02 ppm1      2.542 ppm2      8.824 CV     1
  OR {  388}
    (( segid "    " and resid 91   and name HB2 ))
    (( segid "    " and resid 92   and name HN  ))
  ASSI {  393}
    (( segid "    " and resid 93   and name HB2 ))
    (( segid "    " and resid 93   and name HN  ))
       2.700     0.900     0.900 peak   393 spectrum    4 weight  0.10000E+01 volume  0.62346E-02 ppm1      2.566 ppm2      9.145 CV     1
  OR {  393}
    (( segid "    " and resid 93   and name HB3 ))
    (( segid "    " and resid 93   and name HN  ))
  OR {  393}
    (  segid "    " and resid 92   and name HB% )
    (( segid "    " and resid 93   and name HN  ))
  OR {  393}
    (( segid "    " and resid 94   and name HG3 ))
    (( segid "    " and resid 93   and name HN  ))
  OR {  393}
    (( segid "    " and resid 94   and name HG2 ))
    (( segid "    " and resid 93   and name HN  ))
  ASSI {  395}
    (( segid "    " and resid 91   and name HB3 ))
    (( segid "    " and resid 91   and name HN  ))
       2.500     0.800     0.800 peak   395 spectrum    4 weight  0.10000E+01 volume  0.97659E-02 ppm1      2.569 ppm2      8.246 CV     1
  OR {  395}
    (( segid "    " and resid 91   and name HB2 ))
    (( segid "    " and resid 91   and name HN  ))
  OR {  395}
    (  segid "    " and resid 92   and name HB% )
    (( segid "    " and resid 91   and name HN  ))
  ASSI {  402}
    (( segid "    " and resid 62   and name HG2 ))
    (( segid "    " and resid 63   and name HN  ))
       2.700     0.900     0.900 peak   402 spectrum    4 weight  0.10000E+01 volume  0.51597E-02 ppm1      2.605 ppm2      8.251 CV     1
  OR {  402}
    (( segid "    " and resid 62   and name HG3 ))
    (( segid "    " and resid 63   and name HN  ))
  OR {  402}
    (( segid "    " and resid 63   and name HG3 ))
    (( segid "    " and resid 63   and name HN  ))
  ASSI {  404}
    (( segid "    " and resid 107  and name HB3 ))
    (( segid "    " and resid 107  and name HN  ))
       2.500     0.800     0.800 peak   404 spectrum    4 weight  0.10000E+01 volume  0.75445E-02 ppm1      2.608 ppm2     10.914 CV     1
  OR {  404}
    (( segid "    " and resid 107  and name HB2 ))
    (( segid "    " and resid 107  and name HN  ))
  OR {  404}
    (( segid "    " and resid 108  and name HB3 ))
    (( segid "    " and resid 107  and name HN  ))
  ASSI {  408}
    (( segid "    " and resid 108  and name HB3 ))
    (( segid "    " and resid 109  and name HN  ))
       3.500     1.500     1.500 peak   408 spectrum    4 weight  0.10000E+01 volume  0.19184E-02 ppm1      2.626 ppm2      7.213 CV     1
  OR {  408}
    (( segid "    " and resid 107  and name HB3 ))
    (( segid "    " and resid 109  and name HN  ))
  OR {  408}
    (( segid "    " and resid 107  and name HB2 ))
    (( segid "    " and resid 109  and name HN  ))
  ASSI {  411}
    (( segid "    " and resid 108  and name HB3 ))
    (( segid "    " and resid 108  and name HN  ))
       2.600     0.800     0.800 peak   411 spectrum    4 weight  0.10000E+01 volume  0.61206E-02 ppm1      2.627 ppm2      8.102 CV     1
  OR {  411}
    (( segid "    " and resid 107  and name HB3 ))
    (( segid "    " and resid 108  and name HN  ))
  OR {  411}
    (( segid "    " and resid 107  and name HB2 ))
    (( segid "    " and resid 108  and name HN  ))
!  ASSI {  443}
!    (( segid "    " and resid 80   and name HB  ))
!    (( segid "    " and resid 82   and name HD22))
! 3.100     3.100     2.900 peak   443 spectrum    4 weight  0.10000E+01 volume  0.45037E-03 ppm1      2.858 ppm2      7.415 CV     1
!  OR {  443}
!    (( segid "    " and resid 83   and name HB2 ))
!    (( segid "    " and resid 82   and name HD22))
  ASSI {  444}
    (( segid "    " and resid 83   and name HB2 ))
    (( segid "    " and resid 83   and name HN  ))
       2.600     0.800     0.800 peak   444 spectrum    4 weight  0.10000E+01 volume  0.57271E-02 ppm1      2.864 ppm2      7.973 CV     1
  OR {  444}
    (( segid "    " and resid 113  and name HB2 ))
    (( segid "    " and resid 113  and name HN  ))
  ASSI {  450}
    (( segid "    " and resid 80   and name HB  ))
    (( segid "    " and resid 81   and name HN  ))
       3.500     1.600     1.600 peak   450 spectrum    4 weight  0.10000E+01 volume  0.23446E-02 ppm1      2.885 ppm2      8.522 CV     1
  OR {  450}
    (( segid "    " and resid 56   and name HB2 ))
    (( segid "    " and resid 101  and name HN  ))
  ASSI {  459}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 40   and name HN  ))
       3.500     1.600     1.600 peak   459 spectrum    4 weight  0.10000E+01 volume  0.10504E-02 ppm1      2.951 ppm2      7.755 CV     1
  OR {  459}
    (( segid "    " and resid 47   and name HB2 ))
    (( segid "    " and resid 40   and name HN  ))
  ASSI {  462}
    (( segid "    " and resid 42   and name HB3 ))
    (( segid "    " and resid 42   and name HN  ))
       3.300     1.300     1.300 peak   462 spectrum    4 weight  0.10000E+01 volume  0.17901E-02 ppm1      2.952 ppm2      7.492 CV     1
  OR {  462}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI {  467}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 76   and name HN  ))
       4.100     2.100     1.900 peak   467 spectrum    4 weight  0.10000E+01 volume  0.59279E-03 ppm1      2.959 ppm2      9.324 CV     1
  OR {  467}
    (( segid "    " and resid 47   and name HB2 ))
    (( segid "    " and resid 76   and name HN  ))
  ASSI {  478}
    (( segid "    " and resid 52   and name HB3 ))
    (( segid "    " and resid 53   and name HN  ))
       3.300     1.300     1.300 peak   478 spectrum    4 weight  0.10000E+01 volume  0.19549E-02 ppm1      3.100 ppm2      8.236 CV     1
  OR {  478}
    (( segid "    " and resid 51   and name HB2 ))
    (( segid "    " and resid 53   and name HN  ))
  OR {  478}
    (( segid "    " and resid 51   and name HB3 ))
    (( segid "    " and resid 53   and name HN  ))
  ASSI {  481}
    (( segid "    " and resid 52   and name HB3 ))
    (( segid "    " and resid 52   and name HN  ))
       3.100     1.200     1.200 peak   481 spectrum    4 weight  0.10000E+01 volume  0.31551E-02 ppm1      3.111 ppm2      8.474 CV     1
  OR {  481}
    (( segid "    " and resid 51   and name HB2 ))
    (( segid "    " and resid 52   and name HN  ))
  OR {  481}
    (( segid "    " and resid 51   and name HB3 ))
    (( segid "    " and resid 52   and name HN  ))
  ASSI {  488}
    (( segid "    " and resid 52   and name HB3 ))
    (( segid "    " and resid 104  and name HN  ))
       3.800     1.800     1.800 peak   488 spectrum    4 weight  0.10000E+01 volume  0.75508E-03 ppm1      3.129 ppm2      8.728 CV     1
  OR {  488}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 104  and name HN  ))
  ASSI {  490}
    (( segid "    " and resid 45   and name HB3 ))
    (( segid "    " and resid 45   and name HN  ))
       3.200     1.300     1.300 peak   490 spectrum    4 weight  0.10000E+01 volume  0.18821E-02 ppm1      3.263 ppm2      7.031 CV     1
  OR {  490}
    (( segid "    " and resid 42   and name HB2 ))
    (( segid "    " and resid 45   and name HN  ))
  ASSI {  491}
    (( segid "    " and resid 42   and name HB2 ))
    (( segid "    " and resid 41   and name HN  ))
       4.300     2.300     1.700 peak   491 spectrum    4 weight  0.10000E+01 volume  0.67412E-03 ppm1      3.281 ppm2      7.396 CV     1
  OR {  491}
    (( segid "    " and resid 45   and name HB3 ))
    (( segid "    " and resid 41   and name HN  ))
  ASSI {  505}
    (( segid "    " and resid 98   and name HB  ))
    (( segid "    " and resid 98   and name HN  ))
       2.700     0.900     0.900 peak   505 spectrum    4 weight  0.10000E+01 volume  0.48453E-02 ppm1      3.538 ppm2      7.420 CV     1
  OR {  505}
    (( segid "    " and resid 99   and name HB2 ))
    (( segid "    " and resid 98   and name HN  ))
  ASSI {  507}
    (( segid "    " and resid 77   and name HA2 ))
    (( segid "    " and resid 77   and name HN  ))
       2.500     0.800     0.800 peak   507 spectrum    4 weight  0.10000E+01 volume  0.66615E-02 ppm1      3.545 ppm2      7.365 CV     1
  OR {  507}
    (( segid "    " and resid 76   and name HA2 ))
    (( segid "    " and resid 77   and name HN  ))
  ASSI {  508}
    (( segid "    " and resid 76   and name HA2 ))
    (( segid "    " and resid 76   and name HN  ))
       2.800     1.000     1.000 peak   508 spectrum    4 weight  0.10000E+01 volume  0.46391E-02 ppm1      3.551 ppm2      9.324 CV     1
  OR {  508}
    (( segid "    " and resid 77   and name HA2 ))
    (( segid "    " and resid 76   and name HN  ))
  ASSI {  517}
    (( segid "    " and resid 46   and name HB  ))
    (( segid "    " and resid 57   and name HN  ))
       3.900     1.900     1.900 peak   517 spectrum    4 weight  0.10000E+01 volume  0.88701E-03 ppm1      3.652 ppm2      8.330 CV     1
  OR {  517}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 57   and name HN  ))
  ASSI {  530}
    (( segid "    " and resid 52   and name HA  ))
    (( segid "    " and resid 52   and name HN  ))
       2.400     0.700     0.700 peak   530 spectrum    4 weight  0.10000E+01 volume  0.87187E-02 ppm1      3.804 ppm2      8.475 CV     1
  OR {  530}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 52   and name HN  ))
  ASSI {  540}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 81   and name HN  ))
       2.300     0.700     0.700 peak   540 spectrum    4 weight  0.10000E+01 volume  0.11218E-01 ppm1      3.880 ppm2      8.521 CV     1
  OR {  540}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 81   and name HN  ))
  ASSI {  542}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
       2.400     0.700     0.700 peak   542 spectrum    4 weight  0.10000E+01 volume  0.78665E-02 ppm1      3.902 ppm2      8.364 CV     1
  OR {  542}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 35   and name HN  ))
  ASSI {  545}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
       3.000     1.100     1.100 peak   545 spectrum    4 weight  0.10000E+01 volume  0.28957E-02 ppm1      3.925 ppm2      8.091 CV     1
  OR {  545}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
  ASSI {  550}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
       2.800     0.900     0.900 peak   550 spectrum    4 weight  0.10000E+01 volume  0.40064E-02 ppm1      3.975 ppm2      7.754 CV     1
  OR {  550}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
  ASSI {  571}
    (( segid "    " and resid 95   and name HA  ))
    (( segid "    " and resid 95   and name HN  ))
       2.400     0.700     0.700 peak   571 spectrum    4 weight  0.10000E+01 volume  0.85578E-02 ppm1      4.158 ppm2      8.475 CV     1
  OR {  571}
    (( segid "    " and resid 92   and name HA  ))
    (( segid "    " and resid 95   and name HN  ))
  ASSI {  572}
    (( segid "    " and resid 92   and name HA  ))
    (( segid "    " and resid 93   and name HN  ))
       3.300     1.400     1.400 peak   572 spectrum    4 weight  0.10000E+01 volume  0.12621E-02 ppm1      4.161 ppm2      9.143 CV     1
  OR {  572}
    (( segid "    " and resid 93   and name HD2 ))
    (( segid "    " and resid 93   and name HN  ))
  ASSI {  575}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
       2.300     0.700     0.700 peak   575 spectrum    4 weight  0.10000E+01 volume  0.11093E-01 ppm1      4.194 ppm2      8.109 CV     1
  OR {  575}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 28   and name HN  ))
  ASSI {  580}
    (( segid "    " and resid 89   and name HB3 ))
    (( segid "    " and resid 91   and name HN  ))
       3.800     1.800     1.800 peak   580 spectrum    4 weight  0.10000E+01 volume  0.24635E-02 ppm1      4.238 ppm2      8.246 CV     1
  OR {  580}
    (( segid "    " and resid 92   and name HA  ))
    (( segid "    " and resid 91   and name HN  ))
  ASSI {  591}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 58   and name HN  ))
       2.900     1.100     1.100 peak   591 spectrum    4 weight  0.10000E+01 volume  0.38644E-02 ppm1      4.276 ppm2      8.640 CV     1
  OR {  591}
    (( segid "    " and resid 58   and name HB  ))
    (( segid "    " and resid 58   and name HN  ))
  ASSI {  595}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
       2.500     0.800     0.800 peak   595 spectrum    4 weight  0.10000E+01 volume  0.65478E-02 ppm1      4.304 ppm2      8.095 CV     1
  OR {  595}
    (( segid "    " and resid 86   and name HB  ))
    (( segid "    " and resid 86   and name HN  ))
  OR {  595}
    (( segid "    " and resid 118  and name HB  ))
    (( segid "    " and resid 118  and name HN  ))
  ASSI {  601}
    (( segid "    " and resid 120  and name HA  ))
    (( segid "    " and resid 120  and name HN  ))
       2.600     0.800     0.800 peak   601 spectrum    4 weight  0.10000E+01 volume  0.61182E-02 ppm1      4.314 ppm2      8.121 CV     1
  OR {  601}
    (( segid "    " and resid 119  and name HA  ))
    (( segid "    " and resid 120  and name HN  ))
  ASSI {  603}
    (( segid "    " and resid 118  and name HA  ))
    (( segid "    " and resid 119  and name HN  ))
       2.700     0.900     0.900 peak   603 spectrum    4 weight  0.10000E+01 volume  0.45432E-02 ppm1      4.348 ppm2      8.183 CV     1
  OR {  603}
    (( segid "    " and resid 119  and name HA  ))
    (( segid "    " and resid 119  and name HN  ))
  ASSI {  604}
    (( segid "    " and resid 118  and name HA  ))
    (( segid "    " and resid 118  and name HN  ))
       2.400     0.700     0.700 peak   604 spectrum    4 weight  0.10000E+01 volume  0.75212E-02 ppm1      4.353 ppm2      8.106 CV     1
  OR {  604}
    (( segid "    " and resid 86   and name HA  ))
    (( segid "    " and resid 86   and name HN  ))
  OR {  604}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
  ASSI {  613}
    (( segid "    " and resid 118  and name HA  ))
    (( segid "    " and resid 118  and name HN  ))
       2.800     1.000     1.000 peak   613 spectrum    4 weight  0.10000E+01 volume  0.38922E-02 ppm1      4.397 ppm2      8.096 CV     1
  OR {  613}
    (( segid "    " and resid 86   and name HA  ))
    (( segid "    " and resid 86   and name HN  ))
  OR {  613}
    (( segid "    " and resid 117  and name HA  ))
    (( segid "    " and resid 118  and name HN  ))
  ASSI {  615}
    (( segid "    " and resid 79   and name HA  ))
    (( segid "    " and resid 80   and name HN  ))
       2.800     1.000     1.000 peak   615 spectrum    4 weight  0.10000E+01 volume  0.31975E-02 ppm1      4.407 ppm2      7.836 CV     1
  OR {  615}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 80   and name HN  ))
  ASSI {  618}
    (( segid "    " and resid 79   and name HA  ))
    (( segid "    " and resid 79   and name HN  ))
       2.900     1.100     1.100 peak   618 spectrum    4 weight  0.10000E+01 volume  0.26752E-02 ppm1      4.417 ppm2      8.308 CV     1
  OR {  618}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 79   and name HN  ))
  ASSI {  619}
    (( segid "    " and resid 79   and name HA  ))
    (( segid "    " and resid 81   and name HN  ))
       3.000     1.100     1.100 peak   619 spectrum    4 weight  0.10000E+01 volume  0.26797E-02 ppm1      4.418 ppm2      8.532 CV     1
  OR {  619}
    (( segid "    " and resid 102  and name HA1 ))
    (( segid "    " and resid 101  and name HN  ))
  ASSI {  621}
    (( segid "    " and resid 110  and name HA  ))
    (( segid "    " and resid 111  and name HN  ))
       3.200     1.300     1.300 peak   621 spectrum    4 weight  0.10000E+01 volume  0.19294E-02 ppm1      4.441 ppm2      7.544 CV     1
  OR {  621}
    (( segid "    " and resid 107  and name HA  ))
    (( segid "    " and resid 111  and name HN  ))
  ASSI {  622}
    (( segid "    " and resid 90   and name HB  ))
    (( segid "    " and resid 90   and name HN  ))
       2.900     1.000     1.000 peak   622 spectrum    4 weight  0.10000E+01 volume  0.36583E-02 ppm1      4.483 ppm2      9.251 CV     1
  OR {  622}
    (( segid "    " and resid 89   and name HB2 ))
    (( segid "    " and resid 90   and name HN  ))
  ASSI {  623}
    (( segid "    " and resid 91   and name HA  ))
    (( segid "    " and resid 91   and name HN  ))
       2.300     0.700     0.700 peak   623 spectrum    4 weight  0.10000E+01 volume  0.12603E-01 ppm1      4.494 ppm2      8.246 CV     1
  OR {  623}
    (( segid "    " and resid 90   and name HB  ))
    (( segid "    " and resid 91   and name HN  ))
  ASSI {  624}
    (( segid "    " and resid 93   and name HA  ))
    (( segid "    " and resid 94   and name HN  ))
       2.700     0.900     0.900 peak   624 spectrum    4 weight  0.10000E+01 volume  0.47462E-02 ppm1      4.495 ppm2      9.032 CV     1
  OR {  624}
    (( segid "    " and resid 91   and name HA  ))
    (( segid "    " and resid 94   and name HN  ))
  ASSI {  625}
    (( segid "    " and resid 93   and name HA  ))
    (( segid "    " and resid 93   and name HN  ))
       2.800     1.000     1.000 peak   625 spectrum    4 weight  0.10000E+01 volume  0.31467E-02 ppm1      4.514 ppm2      9.144 CV     1
  OR {  625}
    (( segid "    " and resid 91   and name HA  ))
    (( segid "    " and resid 93   and name HN  ))
  ASSI {  627}
    (( segid "    " and resid 104  and name HA  ))
    (( segid "    " and resid 105  and name HN  ))
       2.400     0.700     0.700 peak   627 spectrum    4 weight  0.10000E+01 volume  0.55325E-02 ppm1      4.545 ppm2      9.083 CV     1
  OR {  627}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 105  and name HN  ))
  ASSI {  640}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 64   and name HN  ))
       2.900     1.100     1.100 peak   640 spectrum    4 weight  0.10000E+01 volume  0.27094E-02 ppm1      4.839 ppm2      8.861 CV     1
  OR {  640}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 64   and name HN  ))
  ASSI {  641}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 63   and name HN  ))
       2.500     0.800     0.800 peak   641 spectrum    4 weight  0.10000E+01 volume  0.67808E-02 ppm1      4.840 ppm2      8.248 CV     1
  OR {  641}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 63   and name HN  ))
  ASSI {  643}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 62   and name HN  ))
       2.400     0.700     0.700 peak   643 spectrum    4 weight  0.10000E+01 volume  0.96585E-02 ppm1      4.848 ppm2      8.503 CV     1
  OR {  643}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 62   and name HN  ))
  ASSI {  676}
    (  segid "    " and resid 55   and name HE% )
    (( segid "    " and resid 54   and name HN  ))
       4.100     2.100     1.900 peak   676 spectrum    4 weight  0.10000E+01 volume  0.57380E-03 ppm1      6.511 ppm2      8.239 CV     1
  OR {  676}
    (  segid "    " and resid 32   and name HE% )
    (( segid "    " and resid 54   and name HN  ))
  ASSI {  700}
    (  segid "    " and resid 32   and name HD% )
    (( segid "    " and resid 32   and name HN  ))
       2.800     1.000     1.000 peak   700 spectrum    4 weight  0.10000E+01 volume  0.30395E-02 ppm1      6.832 ppm2      8.598 CV     1
  OR {  700}
    (( segid "    " and resid 105  and name HD2 ))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  741}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 64   and name HN  ))
       4.500     2.500     1.500 peak   741 spectrum    4 weight  0.10000E+01 volume  0.45722E-03 ppm1      7.763 ppm2      8.866 CV     1
  OR {  741}
    (( segid "    " and resid 60   and name HZ  ))
    (( segid "    " and resid 64   and name HN  ))
  ASSI {  776}
    (( segid "    " and resid 72   and name HN  ))
    (( segid "    " and resid 73   and name HN  ))
       2.400     0.700     0.700 peak   776 spectrum    4 weight  0.10000E+01 volume  0.66036E-02 ppm1      8.385 ppm2      8.115 CV     1
  OR {  776}
    (( segid "    " and resid 124  and name HN  ))
    (( segid "    " and resid 123  and name HN  ))
  ASSI {  777}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
       4.200     2.200     1.800 peak   777 spectrum    4 weight  0.10000E+01 volume  0.58731E-03 ppm1      8.395 ppm2      9.094 CV     1
  OR {  777}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
  ASSI {  778}
    (( segid "    " and resid 37   and name HN  ))
    (( segid "    " and resid 36   and name HN  ))
       2.200     0.600     0.600 peak   778 spectrum    4 weight  0.10000E+01 volume  0.61720E-02 ppm1      8.397 ppm2      7.590 CV     1
  OR {  778}
    (( segid "    " and resid 35   and name HN  ))
    (( segid "    " and resid 36   and name HN  ))
  ASSI {  793}
    (( segid "    " and resid 47   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
       4.200     2.200     1.800 peak   793 spectrum    4 weight  0.10000E+01 volume  0.70018E-03 ppm1      8.801 ppm2      7.487 CV     1
  OR {  793}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI {  802}
    (( segid "    " and resid 85   and name HN  ))
    (( segid "    " and resid 86   and name HN  ))
       2.600     0.800     0.800 peak   802 spectrum    4 weight  0.10000E+01 volume  0.53456E-02 ppm1      8.918 ppm2      8.112 CV     1
  OR {  802}
    (( segid "    " and resid 87   and name HN  ))
    (( segid "    " and resid 86   and name HN  ))
  ASSI {  805}
    (( segid "    " and resid 105  and name HN  ))
    (( segid "    " and resid 32   and name HN  ))
       3.000     1.100     1.100 peak   805 spectrum    4 weight  0.10000E+01 volume  0.20196E-02 ppm1      9.056 ppm2      8.600 CV     1
  OR {  805}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 32   and name HN  ))
  ASSI {  808}
    (( segid "    " and resid 105  and name HN  ))
    (( segid "    " and resid 34   and name HN  ))
       4.100     2.100     1.900 peak   808 spectrum    4 weight  0.10000E+01 volume  0.64762E-03 ppm1      9.094 ppm2      9.704 CV     1
  OR {  808}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 34   and name HN  ))
  ASSI {  810}
    (( segid "    " and resid 93   and name HN  ))
    (( segid "    " and resid 91   and name HN  ))
       3.400     1.500     1.500 peak   810 spectrum    4 weight  0.10000E+01 volume  0.15174E-02 ppm1      9.180 ppm2      8.242 CV     1
  OR {  810}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 53   and name HN  ))
 ASSI {    3}
    (  segid "    " and resid 64   and name HMC%)
    (( segid "    " and resid 74   and name HB2 ))
       3.700     1.700     1.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.33401E-03 ppm1     -3.686 ppm2      1.816 CV     1
  ASSI {    4}
    (  segid "    " and resid 64   and name HMC%)
    (( segid "    " and resid 48   and name HG  ))
       3.400     3.400     2.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.26076E-02 ppm1     -3.661 ppm2     -0.449 CV     1
  ASSI {    5}
    (  segid "    " and resid 64   and name HMC%)
    (( segid "    " and resid 79   and name HA  ))
       4.100     2.100     1.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.54649E-03 ppm1     -3.656 ppm2      4.459 CV     1
  ASSI {    6}
    (  segid "    " and resid 64   and name HMC%)
    (( segid "    " and resid 48   and name HB3 ))
       4.500     2.600     1.500 peak     6 spectrum    1 weight  0.10000E+01 volume  0.25046E-03 ppm1     -3.655 ppm2      0.750 CV     1
  ASSI {    7}
    (  segid "    " and resid 64   and name HMC%)
    (( segid "    " and resid 50   and name HG  ))
       3.400     3.400     2.600 peak     7 spectrum    1 weight  0.10000E+01 volume  0.11141E-02 ppm1     -3.654 ppm2     -1.944 CV     1
  ASSI {    9}
    (  segid "    " and resid 64   and name HMC%)
    (( segid "    " and resid 71   and name HA  ))
       3.800     1.800     1.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.39211E-03 ppm1     -3.654 ppm2      3.163 CV     1
  ASSI {   10}
    (  segid "    " and resid 64   and name HMC%)
    (  segid "    " and resid 48   and name HD2%)
       2.900     2.900     3.100 peak    10 spectrum    1 weight  0.10000E+01 volume  0.49689E-03 ppm1     -3.654 ppm2      0.821 CV     1
  ASSI {   11}
    (  segid "    " and resid 64   and name HMC%)
    (( segid "    " and resid 74   and name HB3 ))
       4.100     2.100     1.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.31913E-03 ppm1     -3.653 ppm2      0.914 CV     1
  ASSI {   12}
    (  segid "    " and resid 64   and name HMC%)
    (( segid "    " and resid 74   and name HG3 ))
       3.600     3.600     2.400 peak    12 spectrum    1 weight  0.10000E+01 volume  0.72207E-03 ppm1     -3.653 ppm2      1.439 CV     1
  ASSI {   13}
    (  segid "    " and resid 64   and name HMC%)
    (  segid "    " and resid 48   and name HD1%)
       2.600     0.800     0.800 peak    13 spectrum    1 weight  0.10000E+01 volume  0.34964E-02 ppm1     -3.653 ppm2     -0.603 CV     1
  ASSI {   14}
    (  segid "    " and resid 64   and name HMC%)
    (  segid "    " and resid 79   and name HB% )
       2.500     2.500     3.500 peak    14 spectrum    1 weight  0.10000E+01 volume  0.51485E-02 ppm1     -3.652 ppm2      0.204 CV     1
  ASSI {   21}
    (( segid "    " and resid 65   and name HB3 ))
    (( segid "    " and resid 65   and name HA  ))
       2.800     1.000     1.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.18126E-02 ppm1     -3.191 ppm2      4.077 CV     1
  ASSI {   22}
    (( segid "    " and resid 65   and name HB3 ))
    (( segid "    " and resid 65   and name HG2 ))
       3.500     1.600     1.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.86434E-03 ppm1     -3.188 ppm2      1.367 CV     1
  ASSI {   23}
    (( segid "    " and resid 65   and name HB3 ))
    (( segid "    " and resid 65   and name HG3 ))
       3.200     1.200     1.200 peak    23 spectrum    1 weight  0.10000E+01 volume  0.72964E-03 ppm1     -3.187 ppm2     -0.308 CV     1
  ASSI {   24}
    (( segid "    " and resid 65   and name HB3 ))
    (( segid "    " and resid 65   and name HB2 ))
       2.200     0.600     0.600 peak    24 spectrum    1 weight  0.10000E+01 volume  0.50237E-02 ppm1     -3.187 ppm2      0.791 CV     1
  ASSI {   25}
    (  segid "    " and resid 71   and name HD2%)
    (( segid "    " and resid 61   and name HA  ))
       2.600     0.900     0.900 peak    25 spectrum    1 weight  0.10000E+01 volume  0.85045E-03 ppm1     -2.448 ppm2      4.784 CV     1
  ASSI {   27}
    (  segid "    " and resid 71   and name HD2%)
    (( segid "    " and resid 71   and name HB3 ))
       3.700     1.700     1.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.37804E-03 ppm1     -2.417 ppm2      0.800 CV     1
  ASSI {   28}
    (( segid "    " and resid 50   and name HG  ))
    (( segid "    " and resid 50   and name HA  ))
       3.200     1.300     1.300 peak    28 spectrum    1 weight  0.10000E+01 volume  0.11689E-02 ppm1     -1.953 ppm2      4.405 CV     1
  ASSI {   31}
    (( segid "    " and resid 50   and name HG  ))
    (( segid "    " and resid 50   and name HB2 ))
       2.400     0.700     0.700 peak    31 spectrum    1 weight  0.10000E+01 volume  0.40917E-02 ppm1     -1.951 ppm2      1.273 CV     1
  ASSI {   32}
    (( segid "    " and resid 50   and name HG  ))
    (( segid "    " and resid 50   and name HB3 ))
       2.700     0.900     0.900 peak    32 spectrum    1 weight  0.10000E+01 volume  0.36543E-02 ppm1     -1.951 ppm2      0.206 CV     1
  ASSI {   33}
    (( segid "    " and resid 50   and name HG  ))
    (( segid "    " and resid 80   and name HB  ))
       4.100     2.100     1.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.49574E-03 ppm1     -1.947 ppm2      2.937 CV     1
  ASSI {   34}
    (  segid "    " and resid 101  and name HD1%)
    (( segid "    " and resid 56   and name HB2 ))
       3.100     1.200     1.200 peak    34 spectrum    1 weight  0.10000E+01 volume  0.11780E-02 ppm1     -1.171 ppm2      2.915 CV     1
  ASSI {   35}
    (  segid "    " and resid 101  and name HD1%)
    (( segid "    " and resid 101  and name HA  ))
       4.100     2.100     1.900 peak    35 spectrum    1 weight  0.10000E+01 volume  0.97724E-03 ppm1     -1.170 ppm2      4.567 CV     1
  ASSI {   36}
    (  segid "    " and resid 101  and name HD1%)
    (  segid "    " and resid 101  and name HG2%)
       2.400     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.51900E-02 ppm1     -1.169 ppm2      0.690 CV     1
  ASSI {   38}
    (  segid "    " and resid 101  and name HD1%)
    (  segid "    " and resid 54   and name HG2%)
       2.600     0.800     0.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.33494E-02 ppm1     -1.167 ppm2      0.061 CV     1
  ASSI {   39}
    (  segid "    " and resid 101  and name HD1%)
    (( segid "    " and resid 101  and name HB  ))
       2.600     0.900     0.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.32909E-02 ppm1     -1.167 ppm2      1.768 CV     1
  ASSI {   42}
    (  segid "    " and resid 101  and name HD1%)
    (( segid "    " and resid 56   and name HB3 ))
       2.800     1.000     1.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.21654E-02 ppm1     -1.162 ppm2      1.806 CV     1
  ASSI {   43}
    (  segid "    " and resid 50   and name HD2%)
    (( segid "    " and resid 80   and name HA  ))
       3.900     1.900     1.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.30955E-03 ppm1     -0.776 ppm2      3.877 CV     1
  ASSI {   44}
    (  segid "    " and resid 50   and name HD2%)
    (( segid "    " and resid 83   and name HB3 ))
       3.100     1.200     1.200 peak    44 spectrum    1 weight  0.10000E+01 volume  0.18632E-02 ppm1     -0.771 ppm2      0.994 CV     1
  ASSI {   45}
    (  segid "    " and resid 50   and name HD2%)
    (  segid "    " and resid 80   and name HG2%)
       3.700     1.700     1.700 peak    45 spectrum    1 weight  0.10000E+01 volume  0.10194E-02 ppm1     -0.770 ppm2      0.455 CV     1
  ASSI {   46}
    (  segid "    " and resid 50   and name HD2%)
    (  segid "    " and resid 50   and name HD1%)
       2.100     2.100     3.900 peak    46 spectrum    1 weight  0.10000E+01 volume  0.11199E-01 ppm1     -0.770 ppm2     -0.046 CV     1
  ASSI {   50}
    (  segid "    " and resid 50   and name HD2%)
    (( segid "    " and resid 50   and name HB3 ))
       2.700     0.900     0.900 peak    50 spectrum    1 weight  0.10000E+01 volume  0.29319E-02 ppm1     -0.769 ppm2      0.206 CV     1
  ASSI {   51}
    (  segid "    " and resid 50   and name HD2%)
    (( segid "    " and resid 50   and name HA  ))
       2.300     0.600     0.600 peak    51 spectrum    1 weight  0.10000E+01 volume  0.64482E-02 ppm1     -0.769 ppm2      4.402 CV     1
  ASSI {   52}
    (  segid "    " and resid 50   and name HD2%)
    (( segid "    " and resid 83   and name HB2 ))
       2.900     2.900     3.100 peak    52 spectrum    1 weight  0.10000E+01 volume  0.16192E-02 ppm1     -0.768 ppm2      2.912 CV     1
  ASSI {   53}
    (  segid "    " and resid 50   and name HD2%)
    (( segid "    " and resid 79   and name HA  ))
       3.800     1.800     1.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.62113E-03 ppm1     -0.768 ppm2      4.464 CV     1
  ASSI {   54}
    (  segid "    " and resid 50   and name HD2%)
    (  segid "    " and resid 79   and name HB% )
       2.500     2.500     3.500 peak    54 spectrum    1 weight  0.10000E+01 volume  0.46360E-02 ppm1     -0.755 ppm2      0.205 CV     1
  ASSI {   55}
    (( segid "    " and resid 64   and name HBA2))
    (( segid "    " and resid 65   and name HG3 ))
       4.200     2.200     1.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.38925E-03 ppm1     -0.752 ppm2     -0.308 CV     1
  ASSI {   56}
    (( segid "    " and resid 64   and name HBA2))
    (( segid "    " and resid 65   and name HG2 ))
       3.800     1.800     1.800 peak    56 spectrum    1 weight  0.10000E+01 volume  0.30567E-03 ppm1     -0.733 ppm2      1.362 CV     1
  ASSI {   57}
    (  segid "    " and resid 48   and name HD1%)
    (  segid "    " and resid 79   and name HB% )
       2.400     2.400     3.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.49072E-02 ppm1     -0.619 ppm2      0.206 CV     1
  ASSI {   58}
    (  segid "    " and resid 48   and name HD1%)
    (( segid "    " and resid 74   and name HB3 ))
       3.200     3.200     2.800 peak    58 spectrum    1 weight  0.10000E+01 volume  0.17456E-02 ppm1     -0.613 ppm2      0.911 CV     1
  ASSI {   59}
    (  segid "    " and resid 48   and name HD1%)
    (( segid "    " and resid 48   and name HB3 ))
       2.700     0.900     0.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.25991E-02 ppm1     -0.609 ppm2      0.749 CV     1
  ASSI {   65}
    (  segid "    " and resid 48   and name HD1%)
    (( segid "    " and resid 75   and name HA  ))
       3.000     3.000     3.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.20594E-02 ppm1     -0.601 ppm2      3.774 CV     1
  ASSI {   68}
    (( segid "    " and resid 57   and name HG  ))
    (( segid "    " and resid 71   and name HB3 ))
       3.600     1.600     1.600 peak    68 spectrum    1 weight  0.10000E+01 volume  0.44613E-03 ppm1     -0.501 ppm2      0.795 CV     1
  ASSI {   69}
    (( segid "    " and resid 57   and name HG  ))
    (  segid "    " and resid 57   and name HD1%)
       2.300     0.700     0.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.52071E-02 ppm1     -0.483 ppm2      0.984 CV     1
  ASSI {   72}
    (( segid "    " and resid 57   and name HG  ))
    (  segid "    " and resid 57   and name HD2%)
       2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.85142E-02 ppm1     -0.481 ppm2     -0.059 CV     1
  ASSI {   73}
    (( segid "    " and resid 57   and name HG  ))
    (( segid "    " and resid 57   and name HB3 ))
       2.400     0.700     0.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.37221E-02 ppm1     -0.481 ppm2      1.055 CV     1
  ASSI {   74}
    (( segid "    " and resid 57   and name HG  ))
    (  segid "    " and resid 46   and name HG2%)
       2.800     2.800     3.200 peak    74 spectrum    1 weight  0.10000E+01 volume  0.28385E-02 ppm1     -0.479 ppm2      0.817 CV     1
  ASSI {   75}
    (( segid "    " and resid 57   and name HG  ))
    (( segid "    " and resid 57   and name HA  ))
       3.400     1.400     1.400 peak    75 spectrum    1 weight  0.10000E+01 volume  0.13405E-02 ppm1     -0.479 ppm2      4.281 CV     1
  ASSI {   77}
    (( segid "    " and resid 57   and name HG  ))
    (( segid "    " and resid 46   and name HB  ))
       4.200     2.200     1.800 peak    77 spectrum    1 weight  0.10000E+01 volume  0.31119E-03 ppm1     -0.474 ppm2      3.639 CV     1
  ASSI {   78}
    (( segid "    " and resid 48   and name HG  ))
    (( segid "    " and resid 55   and name HB3 ))
       3.800     1.800     1.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.12966E-02 ppm1     -0.473 ppm2      1.891 CV     1
  ASSI {   79}
    (( segid "    " and resid 48   and name HG  ))
    (( segid "    " and resid 55   and name HB2 ))
       2.900     1.000     1.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.14502E-02 ppm1     -0.471 ppm2      2.095 CV     1
  ASSI {   80}
    (( segid "    " and resid 48   and name HG  ))
    (( segid "    " and resid 50   and name HG  ))
       2.800     1.000     1.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.18454E-02 ppm1     -0.465 ppm2     -1.944 CV     1
  ASSI {   81}
    (( segid "    " and resid 48   and name HG  ))
    (( segid "    " and resid 49   and name HA  ))
       3.700     1.700     1.700 peak    81 spectrum    1 weight  0.10000E+01 volume  0.36496E-03 ppm1     -0.463 ppm2      4.999 CV     1
  ASSI {   83}
    (( segid "    " and resid 65   and name HG3 ))
    (( segid "    " and resid 65   and name HG2 ))
       2.200     0.600     0.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.49131E-02 ppm1     -0.318 ppm2      1.367 CV     1
  ASSI {   84}
    (( segid "    " and resid 100  and name HG13))
    (( segid "    " and resid 53   and name HB3 ))
       4.400     2.400     1.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.44106E-03 ppm1     -0.242 ppm2      1.372 CV     1
  ASSI {   85}
    (( segid "    " and resid 100  and name HG13))
    (  segid "    " and resid 100  and name HD1%)
       2.100     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.80745E-02 ppm1     -0.232 ppm2      0.814 CV     1
  ASSI {   87}
    (( segid "    " and resid 100  and name HG13))
    (( segid "    " and resid 100  and name HB  ))
       2.800     0.900     0.900 peak    87 spectrum    1 weight  0.10000E+01 volume  0.16801E-02 ppm1     -0.231 ppm2      1.454 CV     1
  ASSI {   88}
    (( segid "    " and resid 100  and name HG13))
    (( segid "    " and resid 100  and name HA  ))
       2.700     0.900     0.900 peak    88 spectrum    1 weight  0.10000E+01 volume  0.35098E-02 ppm1     -0.231 ppm2      3.465 CV     1
  ASSI {   89}
    (( segid "    " and resid 100  and name HG13))
    (  segid "    " and resid 100  and name HG2%)
       3.000     1.200     1.200 peak    89 spectrum    1 weight  0.10000E+01 volume  0.35148E-02 ppm1     -0.226 ppm2      0.745 CV     1
  ASSI {   90}
    (( segid "    " and resid 100  and name HG13))
    (( segid "    " and resid 97   and name HA  ))
       2.600     0.900     0.900 peak    90 spectrum    1 weight  0.10000E+01 volume  0.18028E-02 ppm1     -0.225 ppm2      4.044 CV     1
  ASSI {   91}
    (( segid "    " and resid 101  and name HG13))
    (( segid "    " and resid 101  and name HA  ))
       3.700     1.700     1.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.64544E-03 ppm1     -0.088 ppm2      4.568 CV     1
  ASSI {   92}
    (( segid "    " and resid 101  and name HG13))
    (  segid "    " and resid 101  and name HG2%)
       3.100     1.200     1.200 peak    92 spectrum    1 weight  0.10000E+01 volume  0.31193E-02 ppm1     -0.086 ppm2      0.693 CV     1
  ASSI {   93}
    (( segid "    " and resid 101  and name HG13))
    (( segid "    " and resid 101  and name HB  ))
       2.700     0.900     0.900 peak    93 spectrum    1 weight  0.10000E+01 volume  0.17926E-02 ppm1     -0.082 ppm2      1.768 CV     1
  ASSI {   96}
    (  segid "    " and resid 57   and name HD2%)
    (( segid "    " and resid 60   and name HB2 ))
       4.100     2.200     1.900 peak    96 spectrum    1 weight  0.10000E+01 volume  0.97933E-03 ppm1     -0.069 ppm2      2.872 CV     1
  ASSI {   98}
    (  segid "    " and resid 57   and name HD2%)
    (( segid "    " and resid 55   and name HB3 ))
       2.900     2.900     3.100 peak    98 spectrum    1 weight  0.10000E+01 volume  0.22748E-02 ppm1     -0.068 ppm2      1.890 CV     1
  ASSI {   99}
    (  segid "    " and resid 57   and name HD2%)
    (( segid "    " and resid 57   and name HB2 ))
       2.600     2.600     3.400 peak    99 spectrum    1 weight  0.10000E+01 volume  0.23613E-02 ppm1     -0.067 ppm2      1.673 CV     1
  ASSI {  102}
    (  segid "    " and resid 57   and name HD2%)
    (  segid "    " and resid 57   and name HD1%)
       2.700     0.900     0.900 peak   102 spectrum    1 weight  0.10000E+01 volume  0.25146E-02 ppm1     -0.065 ppm2      0.992 CV     1
  ASSI {  104}
    (  segid "    " and resid 57   and name HD2%)
    (( segid "    " and resid 99   and name HB3 ))
       2.800     2.800     3.200 peak   104 spectrum    1 weight  0.10000E+01 volume  0.23871E-02 ppm1     -0.065 ppm2      2.558 CV     1
  ASSI {  105}
    (( segid "    " and resid 101  and name HG13))
    (( segid "    " and resid 55   and name HA  ))
       3.700     1.800     1.800 peak   105 spectrum    1 weight  0.10000E+01 volume  0.15030E-02 ppm1     -0.065 ppm2      4.430 CV     1
  ASSI {  108}
    (  segid "    " and resid 57   and name HD2%)
    (( segid "    " and resid 60   and name HA  ))
       4.400     2.400     1.600 peak   108 spectrum    1 weight  0.10000E+01 volume  0.48748E-03 ppm1     -0.062 ppm2      5.165 CV     1
  ASSI {  109}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 50   and name HG  ))
       2.400     0.700     0.700 peak   109 spectrum    1 weight  0.10000E+01 volume  0.46999E-02 ppm1     -0.055 ppm2     -1.943 CV     1
  ASSI {  111}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 50   and name HA  ))
       3.200     3.200     2.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.19055E-02 ppm1     -0.054 ppm2      4.402 CV     1
  ASSI {  112}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 50   and name HB2 ))
       2.700     0.900     0.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.36505E-02 ppm1     -0.053 ppm2      1.272 CV     1
  ASSI {  113}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 50   and name HB3 ))
       2.500     2.500     3.500 peak   113 spectrum    1 weight  0.10000E+01 volume  0.41064E-02 ppm1     -0.053 ppm2      0.205 CV     1
  ASSI {  115}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 49   and name HA  ))
       3.600     1.600     1.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.82068E-03 ppm1      0.035 ppm2      4.992 CV     1
  ASSI {  118}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 49   and name HG13))
       3.900     1.900     1.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.43458E-03 ppm1      0.046 ppm2      0.526 CV     1
  ASSI {  119}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 47   and name HB3 ))
       2.900     1.100     1.100 peak   119 spectrum    1 weight  0.10000E+01 volume  0.13952E-02 ppm1      0.050 ppm2      2.725 CV     1
  ASSI {  120}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 54   and name HA  ))
       2.400     0.700     0.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.44019E-02 ppm1      0.050 ppm2      4.084 CV     1
  ASSI {  121}
    (  segid "    " and resid 54   and name HG2%)
    (  segid "    " and resid 54   and name HG1%)
       2.100     2.100     3.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.11929E-01 ppm1      0.051 ppm2      0.564 CV     1
  ASSI {  123}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 37   and name HG13))
       3.600     3.600     2.400 peak   123 spectrum    1 weight  0.10000E+01 volume  0.10766E-02 ppm1      0.051 ppm2      0.961 CV     1
  ASSI {  124}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 37   and name HA  ))
       2.800     2.800     3.200 peak   124 spectrum    1 weight  0.10000E+01 volume  0.51336E-03 ppm1      0.053 ppm2      3.624 CV     1
  ASSI {  125}
    (  segid "    " and resid 54   and name HG2%)
    (  segid "    " and resid 49   and name HD1%)
       2.800     2.800     3.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.27662E-02 ppm1      0.054 ppm2      0.740 CV     1
  ASSI {  126}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 32   and name HB2 ))
       3.800     3.800     2.200 peak   126 spectrum    1 weight  0.10000E+01 volume  0.43872E-03 ppm1      0.065 ppm2      3.141 CV     1
  ASSI {  128}
    (( segid "    " and resid 101  and name HG12))
    (( segid "    " and resid 101  and name HB  ))
       2.900     1.000     1.000 peak   128 spectrum    1 weight  0.10000E+01 volume  0.24004E-02 ppm1      0.157 ppm2      1.767 CV     1
  ASSI {  129}
    (( segid "    " and resid 101  and name HG12))
    (( segid "    " and resid 101  and name HA  ))
       3.600     1.600     1.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.87841E-03 ppm1      0.162 ppm2      4.566 CV     1
  ASSI {  130}
    (( segid "    " and resid 101  and name HG12))
    (  segid "    " and resid 101  and name HG2%)
       2.600     0.800     0.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.27030E-02 ppm1      0.164 ppm2      0.691 CV     1
  ASSI {  131}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 78   and name HA  ))
       4.200     2.200     1.800 peak   131 spectrum    1 weight  0.10000E+01 volume  0.41372E-03 ppm1      0.176 ppm2      4.772 CV     1
  ASSI {  132}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 48   and name HB2 ))
       2.800     2.800     3.200 peak   132 spectrum    1 weight  0.10000E+01 volume  0.14736E-02 ppm1      0.194 ppm2      1.225 CV     1
  ASSI {  133}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 48   and name HG  ))
       2.700     2.700     3.300 peak   133 spectrum    1 weight  0.10000E+01 volume  0.46239E-02 ppm1      0.195 ppm2     -0.451 CV     1
  ASSI {  135}
    (( segid "    " and resid 50   and name HB3 ))
    (( segid "    " and resid 50   and name HA  ))
       2.300     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.48917E-02 ppm1      0.195 ppm2      4.402 CV     1
  ASSI {  136}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 79   and name HA  ))
       2.100     0.500     0.500 peak   136 spectrum    1 weight  0.10000E+01 volume  0.13304E-01 ppm1      0.196 ppm2      4.462 CV     1
  ASSI {  139}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 74   and name HB3 ))
       2.700     0.900     0.900 peak   139 spectrum    1 weight  0.10000E+01 volume  0.22560E-02 ppm1      0.196 ppm2      0.908 CV     1
  ASSI {  141}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 82   and name HB3 ))
       3.200     3.200     2.800 peak   141 spectrum    1 weight  0.10000E+01 volume  0.10532E-02 ppm1      0.197 ppm2      1.789 CV     1
  ASSI {  143}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 74   and name HA  ))
       3.800     1.800     1.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.74854E-03 ppm1      0.198 ppm2      4.187 CV     1
  ASSI {  144}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 74   and name HG3 ))
       3.000     3.000     3.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.22950E-02 ppm1      0.199 ppm2      1.440 CV     1
  ASSI {  145}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 48   and name HB3 ))
       3.800     1.800     1.800 peak   145 spectrum    1 weight  0.10000E+01 volume  0.95308E-03 ppm1      0.199 ppm2      0.749 CV     1
  ASSI {  147}
    (  segid "    " and resid 29   and name HG2%)
    (  segid "    " and resid 29   and name HG1%)
       2.400     2.400     3.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.71771E-02 ppm1      0.325 ppm2      0.683 CV     1
  ASSI {  149}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 102  and name HA2 ))
       4.200     2.200     1.800 peak   149 spectrum    1 weight  0.10000E+01 volume  0.35571E-03 ppm1      0.347 ppm2      4.058 CV     1
  ASSI {  150}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 103  and name HB3 ))
       3.400     1.400     1.400 peak   150 spectrum    1 weight  0.10000E+01 volume  0.11159E-02 ppm1      0.348 ppm2      1.729 CV     1
  ASSI {  151}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 103  and name HB2 ))
       3.300     1.400     1.400 peak   151 spectrum    1 weight  0.10000E+01 volume  0.94676E-03 ppm1      0.349 ppm2      2.173 CV     1
  ASSI {  153}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 102  and name HA1 ))
       4.000     2.000     2.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.29346E-03 ppm1      0.354 ppm2      4.393 CV     1
  ASSI {  155}
    (  segid "    " and resid 80   and name HG2%)
    (( segid "    " and resid 84   and name HG3 ))
       3.300     1.300     1.300 peak   155 spectrum    1 weight  0.10000E+01 volume  0.10278E-02 ppm1      0.443 ppm2      3.134 CV     1
  ASSI {  156}
    (  segid "    " and resid 80   and name HG2%)
    (( segid "    " and resid 50   and name HA  ))
       3.600     3.600     2.400 peak   156 spectrum    1 weight  0.10000E+01 volume  0.10139E-02 ppm1      0.444 ppm2      4.403 CV     1
  ASSI {  157}
    (  segid "    " and resid 80   and name HG2%)
    (( segid "    " and resid 80   and name HB  ))
       2.400     0.700     0.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.44897E-02 ppm1      0.445 ppm2      2.937 CV     1
  ASSI {  158}
    (  segid "    " and resid 80   and name HG2%)
    (( segid "    " and resid 80   and name HA  ))
       2.400     2.400     3.600 peak   158 spectrum    1 weight  0.10000E+01 volume  0.96977E-02 ppm1      0.446 ppm2      3.879 CV     1
  ASSI {  159}
    (  segid "    " and resid 80   and name HG2%)
    (( segid "    " and resid 84   and name HG2 ))
       3.200     3.200     2.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.12049E-02 ppm1      0.447 ppm2      3.024 CV     1
  ASSI {  160}
    (  segid "    " and resid 80   and name HG2%)
    (( segid "    " and resid 51   and name HA  ))
       2.800     2.800     3.200 peak   160 spectrum    1 weight  0.10000E+01 volume  0.26309E-02 ppm1      0.456 ppm2      3.808 CV     1
  ASSI {  161}
    (( segid "    " and resid 49   and name HG13))
    (  segid "    " and resid 49   and name HD1%)
       2.100     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.95716E-02 ppm1      0.516 ppm2      0.744 CV     1
  ASSI {  163}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 103  and name HA  ))
       2.800     2.800     3.200 peak   163 spectrum    1 weight  0.10000E+01 volume  0.25801E-02 ppm1      0.562 ppm2      5.122 CV     1
  ASSI {  165}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 54   and name HA  ))
       2.600     2.600     3.400 peak   165 spectrum    1 weight  0.10000E+01 volume  0.43222E-02 ppm1      0.562 ppm2      4.082 CV     1
  ASSI {  166}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 104  and name HA  ))
       3.000     3.000     3.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.17158E-02 ppm1      0.565 ppm2      4.588 CV     1
  ASSI {  169}
    (  segid "    " and resid 49   and name HG2%)
    (( segid "    " and resid 52   and name HB3 ))
       4.000     2.000     2.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.44504E-03 ppm1      0.656 ppm2      3.215 CV     1
  ASSI {  170}
    (  segid "    " and resid 49   and name HG2%)
    (( segid "    " and resid 50   and name HA  ))
       3.500     1.600     1.600 peak   170 spectrum    1 weight  0.10000E+01 volume  0.57526E-03 ppm1      0.660 ppm2      4.406 CV     1
  ASSI {  171}
    (  segid "    " and resid 49   and name HG2%)
    (( segid "    " and resid 52   and name HB2 ))
       4.000     2.000     2.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.45604E-03 ppm1      0.664 ppm2      3.668 CV     1
  ASSI {  172}
    (  segid "    " and resid 49   and name HG2%)
    (( segid "    " and resid 49   and name HA  ))
       2.300     0.700     0.700 peak   172 spectrum    1 weight  0.10000E+01 volume  0.57429E-02 ppm1      0.670 ppm2      4.993 CV     1
  ASSI {  175}
    (  segid "    " and resid 29   and name HG1%)
    (( segid "    " and resid 29   and name HA  ))
       2.600     2.600     3.400 peak   175 spectrum    1 weight  0.10000E+01 volume  0.35061E-02 ppm1      0.674 ppm2      3.770 CV     1
  ASSI {  179}
    (  segid "    " and resid 101  and name HG2%)
    (( segid "    " and resid 101  and name HB  ))
       2.200     0.600     0.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.76451E-02 ppm1      0.686 ppm2      1.769 CV     1
  ASSI {  183}
    (  segid "    " and resid 101  and name HG2%)
    (( segid "    " and resid 56   and name HB3 ))
       2.500     0.800     0.800 peak   183 spectrum    1 weight  0.10000E+01 volume  0.33625E-02 ppm1      0.689 ppm2      1.807 CV     1
  ASSI {  184}
    (  segid "    " and resid 101  and name HG2%)
    (( segid "    " and resid 56   and name HA  ))
       2.700     2.700     3.300 peak   184 spectrum    1 weight  0.10000E+01 volume  0.66048E-03 ppm1      0.690 ppm2      4.995 CV     1
  ASSI {  185}
    (  segid "    " and resid 49   and name HG2%)
    (( segid "    " and resid 49   and name HB  ))
       2.400     0.700     0.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.45657E-02 ppm1      0.692 ppm2      1.395 CV     1
  ASSI {  187}
    (  segid "    " and resid 100  and name HG2%)
    (( segid "    " and resid 102  and name HA1 ))
       3.500     1.500     1.500 peak   187 spectrum    1 weight  0.10000E+01 volume  0.53951E-03 ppm1      0.707 ppm2      4.393 CV     1
  ASSI {  192}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 40   and name HB2 ))
       4.100     2.100     1.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.38454E-03 ppm1      0.723 ppm2      2.305 CV     1
  ASSI {  193}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 38   and name HA  ))
       3.200     3.200     2.800 peak   193 spectrum    1 weight  0.10000E+01 volume  0.87963E-03 ppm1      0.724 ppm2      4.336 CV     1
  OR {  193}
    (  segid "    " and resid 37   and name HD1%)
    (( segid "    " and resid 38   and name HA  ))
  ASSI {  195}
    (  segid "    " and resid 49   and name HD1%)
    (( segid "    " and resid 49   and name HG12))
       2.100     0.600     0.600 peak   195 spectrum    1 weight  0.10000E+01 volume  0.93707E-02 ppm1      0.729 ppm2      1.283 CV     1
  ASSI {  197}
    (  segid "    " and resid 37   and name HD1%)
    (( segid "    " and resid 32   and name HB3 ))
       2.700     0.900     0.900 peak   197 spectrum    1 weight  0.10000E+01 volume  0.23958E-02 ppm1      0.729 ppm2      2.424 CV     1
  ASSI {  207}
    (( segid "    " and resid 48   and name HB3 ))
    (( segid "    " and resid 55   and name HB2 ))
       4.000     2.000     2.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.68922E-03 ppm1      0.755 ppm2      2.093 CV     1
  ASSI {  208}
    (  segid "    " and resid 100  and name HG2%)
    (( segid "    " and resid 53   and name HB3 ))
       2.700     2.700     3.300 peak   208 spectrum    1 weight  0.10000E+01 volume  0.18685E-02 ppm1      0.759 ppm2      1.368 CV     1
  ASSI {  210}
    (  segid "    " and resid 100  and name HG2%)
    (( segid "    " and resid 53   and name HB2 ))
       3.800     1.800     1.800 peak   210 spectrum    1 weight  0.10000E+01 volume  0.12453E-02 ppm1      0.760 ppm2      2.113 CV     1
  ASSI {  211}
    (( segid "    " and resid 65   and name HB2 ))
    (( segid "    " and resid 65   and name HD2 ))
       4.200     2.300     1.800 peak   211 spectrum    1 weight  0.10000E+01 volume  0.24951E-03 ppm1      0.772 ppm2      4.411 CV     1
  ASSI {  212}
    (( segid "    " and resid 65   and name HB2 ))
    (( segid "    " and resid 65   and name HA  ))
       2.700     0.900     0.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.52902E-02 ppm1      0.779 ppm2      4.078 CV     1
  ASSI {  213}
    (( segid "    " and resid 65   and name HB2 ))
    (( segid "    " and resid 65   and name HG3 ))
       3.400     1.500     1.500 peak   213 spectrum    1 weight  0.10000E+01 volume  0.13043E-02 ppm1      0.783 ppm2     -0.307 CV     1
  ASSI {  215}
    (( segid "    " and resid 71   and name HB3 ))
    (( segid "    " and resid 68   and name HA  ))
       4.600     2.600     1.400 peak   215 spectrum    1 weight  0.10000E+01 volume  0.56813E-03 ppm1      0.784 ppm2      5.792 CV     1
  ASSI {  216}
    (  segid "    " and resid 48   and name HD2%)
    (( segid "    " and resid 47   and name HA  ))
       3.100     1.200     1.200 peak   216 spectrum    1 weight  0.10000E+01 volume  0.12455E-02 ppm1      0.787 ppm2      6.168 CV     1
  ASSI {  219}
    (( segid "    " and resid 71   and name HB3 ))
    (( segid "    " and resid 71   and name HA  ))
       2.500     0.800     0.800 peak   219 spectrum    1 weight  0.10000E+01 volume  0.35285E-02 ppm1      0.794 ppm2      3.161 CV     1
  ASSI {  221}
    (  segid "    " and resid 48   and name HD2%)
    (( segid "    " and resid 48   and name HG  ))
       2.200     0.600     0.600 peak   221 spectrum    1 weight  0.10000E+01 volume  0.78130E-02 ppm1      0.800 ppm2     -0.448 CV     1
  ASSI {  223}
    (  segid "    " and resid 100  and name HD1%)
    (( segid "    " and resid 53   and name HE3 ))
       2.500     2.500     3.500 peak   223 spectrum    1 weight  0.10000E+01 volume  0.24496E-02 ppm1      0.801 ppm2      3.033 CV     1
  OR {  223}
    (  segid "    " and resid 100  and name HD1%)
    (( segid "    " and resid 53   and name HE2 ))
  ASSI {  228}
    (  segid "    " and resid 46   and name HG2%)
    (  segid "    " and resid 61   and name HD2%)
       2.200     2.200     3.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.10762E-01 ppm1      0.810 ppm2      1.197 CV     1
  ASSI {  229}
    (  segid "    " and resid 46   and name HG2%)
    (( segid "    " and resid 41   and name HA  ))
       3.200     1.300     1.300 peak   229 spectrum    1 weight  0.10000E+01 volume  0.12657E-02 ppm1      0.811 ppm2      4.692 CV     1
  ASSI {  230}
    (  segid "    " and resid 46   and name HG2%)
    (( segid "    " and resid 46   and name HB  ))
       2.200     2.200     3.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.86552E-02 ppm1      0.812 ppm2      3.644 CV     1
  ASSI {  231}
    (  segid "    " and resid 46   and name HG2%)
    (  segid "    " and resid 75   and name HB% )
       2.200     2.200     3.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.95613E-02 ppm1      0.813 ppm2      1.423 CV     1
  ASSI {  238}
    (  segid "    " and resid 98   and name HG2%)
    (( segid "    " and resid 97   and name HB2 ))
       2.100     2.100     3.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.32087E-02 ppm1      0.894 ppm2      1.942 CV     1
  OR {  238}
    (  segid "    " and resid 98   and name HG2%)
    (( segid "    " and resid 97   and name HB3 ))
  ASSI {  239}
    (( segid "    " and resid 74   and name HB3 ))
    (( segid "    " and resid 74   and name HG2 ))
       2.500     0.800     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.53089E-02 ppm1      0.899 ppm2      2.065 CV     1
  ASSI {  240}
    (( segid "    " and resid 74   and name HB3 ))
    (( segid "    " and resid 74   and name HG3 ))
       2.400     0.700     0.700 peak   240 spectrum    1 weight  0.10000E+01 volume  0.47157E-02 ppm1      0.902 ppm2      1.440 CV     1
  ASSI {  242}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 38   and name HG2 ))
       3.000     3.000     3.000 peak   242 spectrum    1 weight  0.10000E+01 volume  0.16718E-02 ppm1      0.903 ppm2      2.557 CV     1
  OR {  242}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 38   and name HG3 ))
  ASSI {  248}
    (( segid "    " and resid 74   and name HB3 ))
    (( segid "    " and resid 79   and name HA  ))
       3.600     1.600     1.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.47269E-03 ppm1      0.906 ppm2      4.471 CV     1
  ASSI {  251}
    (  segid "    " and resid 104  and name HD1%)
    (( segid "    " and resid 104  and name HG  ))
       2.500     0.800     0.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.36272E-02 ppm1      0.919 ppm2      1.832 CV     1
  ASSI {  253}
    (  segid "    " and resid 104  and name HD1%)
    (( segid "    " and resid 108  and name HB2 ))
       3.100     3.100     2.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.17231E-02 ppm1      0.928 ppm2      2.847 CV     1
  ASSI {  255}
    (( segid "    " and resid 37   and name HG13))
    (( segid "    " and resid 37   and name HA  ))
       3.000     1.100     1.100 peak   255 spectrum    1 weight  0.10000E+01 volume  0.19776E-02 ppm1      0.946 ppm2      3.626 CV     1
  ASSI {  256}
    (( segid "    " and resid 37   and name HG13))
    (( segid "    " and resid 32   and name HA  ))
       4.100     2.100     1.900 peak   256 spectrum    1 weight  0.10000E+01 volume  0.49141E-03 ppm1      0.952 ppm2      5.125 CV     1
  ASSI {  257}
    (( segid "    " and resid 37   and name HG13))
    (( segid "    " and resid 33   and name HB  ))
       3.700     3.700     2.300 peak   257 spectrum    1 weight  0.10000E+01 volume  0.50445E-03 ppm1      0.969 ppm2      4.834 CV     1
  ASSI {  258}
    (( segid "    " and resid 83   and name HB3 ))
    (( segid "    " and resid 80   and name HB  ))
       3.400     1.500     1.500 peak   258 spectrum    1 weight  0.10000E+01 volume  0.11543E-02 ppm1      0.973 ppm2      2.934 CV     1
  ASSI {  259}
    (  segid "    " and resid 57   and name HD1%)
    (( segid "    " and resid 55   and name HB3 ))
       2.900     2.900     1.100 peak   259 spectrum    1 weight  0.10000E+01 volume  0.19394E-02 ppm1      0.974 ppm2      1.891 CV     1
  ASSI {  260}
    (  segid "    " and resid 57   and name HD1%)
    (( segid "    " and resid 47   and name HA  ))
       5.860     0.700     0.700 peak   260 spectrum    1 weight  0.10000E+01 volume  0.63103E-03 ppm1      0.975 ppm2      6.168 CV     1 !modification des valeurs de distances pour ce pic en prennant en commpte la distance de la structure testfit_1
  ASSI {  261}
    (  segid "    " and resid 57   and name HD1%)
    (( segid "    " and resid 55   and name HB2 ))
       3.300     3.300     2.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.14930E-02 ppm1      0.979 ppm2      2.095 CV     1
  ASSI {  262}
    (( segid "    " and resid 104  and name HB3 ))
    (( segid "    " and resid 32   and name HB3 ))
       2.600     2.600     3.400 peak   262 spectrum    1 weight  0.10000E+01 volume  0.97839E-03 ppm1      0.985 ppm2      2.428 CV     1
  ASSI {  263}
    (( segid "    " and resid 83   and name HB3 ))
    (( segid "    " and resid 83   and name HA  ))
       3.900     1.900     1.900 peak   263 spectrum    1 weight  0.10000E+01 volume  0.46015E-03 ppm1      0.986 ppm2      3.396 CV     1
  ASSI {  266}
    (  segid "    " and resid 57   and name HD1%)
    (( segid "    " and resid 57   and name HB2 ))
       2.200     0.600     0.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.16987E-01 ppm1      0.992 ppm2      1.675 CV     1
  ASSI {  268}
    (( segid "    " and resid 104  and name HB3 ))
    (( segid "    " and resid 104  and name HA  ))
       2.400     0.700     0.700 peak   268 spectrum    1 weight  0.10000E+01 volume  0.85067E-02 ppm1      1.025 ppm2      4.583 CV     1
  OR {  268}
    (  segid "    " and resid 104  and name HD2%)
    (( segid "    " and resid 104  and name HA  ))
  ASSI {  270}
    (( segid "    " and resid 57   and name HB3 ))
    (( segid "    " and resid 57   and name HA  ))
       2.300     0.700     0.700 peak   270 spectrum    1 weight  0.10000E+01 volume  0.47652E-02 ppm1      1.028 ppm2      4.279 CV     1
  ASSI {  271}
    (( segid "    " and resid 54   and name HB  ))
    (  segid "    " and resid 54   and name HG2%)
       2.200     2.200     3.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.78073E-02 ppm1      1.029 ppm2      0.060 CV     1
  ASSI {  272}
    (( segid "    " and resid 54   and name HB  ))
    (  segid "    " and resid 54   and name HG1%)
       2.100     0.500     0.500 peak   272 spectrum    1 weight  0.10000E+01 volume  0.11723E-01 ppm1      1.030 ppm2      0.564 CV     1
  ASSI {  274}
    (( segid "    " and resid 54   and name HB  ))
    (( segid "    " and resid 101  and name HG13))
       3.400     1.500     1.500 peak   274 spectrum    1 weight  0.10000E+01 volume  0.99873E-03 ppm1      1.035 ppm2     -0.076 CV     1
  ASSI {  275}
    (( segid "    " and resid 54   and name HB  ))
    (( segid "    " and resid 101  and name HG12))
       3.400     3.400     2.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.12941E-02 ppm1      1.041 ppm2      0.170 CV     1
  ASSI {  276}
    (( segid "    " and resid 54   and name HB  ))
    (  segid "    " and resid 101  and name HD1%)
       3.500     1.500     1.500 peak   276 spectrum    1 weight  0.10000E+01 volume  0.95355E-03 ppm1      1.041 ppm2     -1.161 CV     1
  ASSI {  278}
    (( segid "    " and resid 30   and name HG3 ))
    (( segid "    " and resid 102  and name HA2 ))
       4.100     2.100     1.900 peak   278 spectrum    1 weight  0.10000E+01 volume  0.26722E-03 ppm1      1.081 ppm2      4.058 CV     1
  ASSI {  280}
    (( segid "    " and resid 109  and name HB3 ))
    (( segid "    " and resid 106  and name HA  ))
       3.200     1.300     1.300 peak   280 spectrum    1 weight  0.10000E+01 volume  0.11865E-02 ppm1      1.112 ppm2      3.687 CV     1
  OR {  280}
    (( segid "    " and resid 109  and name HG3 ))
    (( segid "    " and resid 106  and name HA  ))
  ASSI {  281}
    (( segid "    " and resid 109  and name HB3 ))
    (( segid "    " and resid 109  and name HA  ))
       3.100     1.200     1.200 peak   281 spectrum    1 weight  0.10000E+01 volume  0.14009E-02 ppm1      1.116 ppm2      4.077 CV     1
  OR {  281}
    (( segid "    " and resid 109  and name HG3 ))
    (( segid "    " and resid 109  and name HA  ))
  OR {  281}
    (( segid "    " and resid 109  and name HG2 ))
    (( segid "    " and resid 109  and name HA  ))
  ASSI {  287}
    (  segid "    " and resid 61   and name HD2%)
    (( segid "    " and resid 71   and name HB3 ))
       3.000     3.000     3.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.15790E-02 ppm1      1.195 ppm2      0.797 CV     1
  ASSI {  288}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 105  and name HB2 ))
       2.900     1.100     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.20044E-02 ppm1      1.195 ppm2      2.879 CV     1
  ASSI {  289}
    (  segid "    " and resid 61   and name HD2%)
    (( segid "    " and resid 61   and name HA  ))
       2.400     2.400     3.600 peak   289 spectrum    1 weight  0.10000E+01 volume  0.70548E-02 ppm1      1.196 ppm2      4.773 CV     1
  ASSI {  290}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 32   and name HA  ))
       3.500     1.500     1.500 peak   290 spectrum    1 weight  0.10000E+01 volume  0.82131E-03 ppm1      1.196 ppm2      5.128 CV     1
  ASSI {  292}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 105  and name HB3 ))
       3.300     3.300     2.700 peak   292 spectrum    1 weight  0.10000E+01 volume  0.17692E-02 ppm1      1.199 ppm2      2.588 CV     1
  ASSI {  294}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 33   and name HB  ))
       2.100     0.500     0.500 peak   294 spectrum    1 weight  0.10000E+01 volume  0.11567E-01 ppm1      1.199 ppm2      4.839 CV     1
  ASSI {  295}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 75   and name HA  ))
       3.100     1.200     1.200 peak   295 spectrum    1 weight  0.10000E+01 volume  0.21472E-02 ppm1      1.202 ppm2      3.775 CV     1
  ASSI {  296}
    (( segid "    " and resid 48   and name HB2 ))
    (  segid "    " and resid 48   and name HD2%)
       3.200     1.300     1.300 peak   296 spectrum    1 weight  0.10000E+01 volume  0.22557E-02 ppm1      1.205 ppm2      0.822 CV     1
  ASSI {  299}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 48   and name HG  ))
       3.000     1.100     1.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.98596E-03 ppm1      1.232 ppm2     -0.457 CV     1
  ASSI {  300}
    (( segid "    " and resid 50   and name HB2 ))
    (( segid "    " and resid 80   and name HB  ))
       4.400     2.400     1.600 peak   300 spectrum    1 weight  0.10000E+01 volume  0.43477E-03 ppm1      1.247 ppm2      2.931 CV     1
  ASSI {  304}
    (( segid "    " and resid 50   and name HB2 ))
    (  segid "    " and resid 50   and name HD2%)
       2.900     1.000     1.000 peak   304 spectrum    1 weight  0.10000E+01 volume  0.32352E-02 ppm1      1.259 ppm2     -0.763 CV     1
  ASSI {  306}
    (  segid "    " and resid 61   and name HD1%)
    (( segid "    " and resid 61   and name HB2 ))
       2.300     2.300     3.700 peak   306 spectrum    1 weight  0.10000E+01 volume  0.55119E-02 ppm1      1.268 ppm2      2.383 CV     1
  ASSI {  311}
    (( segid "    " and resid 100  and name HG12))
    (  segid "    " and resid 100  and name HD1%)
       2.000     0.500     0.500 peak   311 spectrum    1 weight  0.10000E+01 volume  0.12411E-01 ppm1      1.292 ppm2      0.814 CV     1
  ASSI {  312}
    (( segid "    " and resid 49   and name HG12))
    (( segid "    " and resid 49   and name HA  ))
       2.700     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.22216E-02 ppm1      1.298 ppm2      4.993 CV     1
  ASSI {  313}
    (( segid "    " and resid 100  and name HG12))
    (( segid "    " and resid 97   and name HA  ))
       3.300     1.300     1.300 peak   313 spectrum    1 weight  0.10000E+01 volume  0.32426E-02 ppm1      1.313 ppm2      4.045 CV     1
  ASSI {  315}
    (  segid "    " and resid 58   and name HG2%)
    (( segid "    " and resid 58   and name HA  ))
       2.300     0.700     0.700 peak   315 spectrum    1 weight  0.10000E+01 volume  0.76283E-02 ppm1      1.328 ppm2      3.721 CV     1
  ASSI {  318}
    (  segid "    " and resid 58   and name HG2%)
    (( segid "    " and resid 45   and name HA  ))
       2.500     2.500     3.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.50788E-02 ppm1      1.338 ppm2      4.731 CV     1
  ASSI {  321}
    (( segid "    " and resid 65   and name HG2 ))
    (( segid "    " and resid 65   and name HA  ))
       3.200     1.300     1.300 peak   321 spectrum    1 weight  0.10000E+01 volume  0.24318E-02 ppm1      1.356 ppm2      4.079 CV     1
  ASSI {  323}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 39   and name HE3 ))
       2.800     0.900     0.900 peak   323 spectrum    1 weight  0.10000E+01 volume  0.36524E-02 ppm1      1.357 ppm2      2.919 CV     1
  ASSI {  324}
    (( segid "    " and resid 53   and name HB3 ))
    (( segid "    " and resid 100  and name HA  ))
       2.700     2.700     3.300 peak   324 spectrum    1 weight  0.10000E+01 volume  0.29162E-02 ppm1      1.360 ppm2      3.466 CV     1
  ASSI {  325}
    (( segid "    " and resid 53   and name HB3 ))
    (( segid "    " and resid 53   and name HB2 ))
       1.900     0.400     0.400 peak   325 spectrum    1 weight  0.10000E+01 volume  0.11054E-01 ppm1      1.370 ppm2      2.119 CV     1
  ASSI {  327}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 36   and name HA  ))
       3.500     1.600     1.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.13259E-02 ppm1      1.381 ppm2      4.100 CV     1
  ASSI {  331}
    (( segid "    " and resid 53   and name HB3 ))
    (( segid "    " and resid 103  and name HA  ))
       3.200     1.300     1.300 peak   331 spectrum    1 weight  0.10000E+01 volume  0.17622E-02 ppm1      1.395 ppm2      5.120 CV     1
  ASSI {  333}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 46   and name HA  ))
       2.900     2.900     3.100 peak   333 spectrum    1 weight  0.10000E+01 volume  0.26102E-02 ppm1      1.410 ppm2      4.281 CV     1
  ASSI {  334}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 41   and name HA  ))
       2.100     2.100     3.900 peak   334 spectrum    1 weight  0.10000E+01 volume  0.11961E-01 ppm1      1.413 ppm2      4.691 CV     1
  ASSI {  335}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 75   and name HA  ))
       2.100     0.500     0.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.11150E-01 ppm1      1.414 ppm2      3.774 CV     1
  ASSI {  337}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 72   and name HA  ))
       2.400     2.400     3.600 peak   337 spectrum    1 weight  0.10000E+01 volume  0.49153E-02 ppm1      1.414 ppm2      3.847 CV     1
  ASSI {  338}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 41   and name HB3 ))
       3.100     3.100     2.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.23850E-02 ppm1      1.415 ppm2      2.987 CV     1
  ASSI {  339}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 41   and name HB2 ))
       2.700     0.900     0.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.24119E-02 ppm1      1.416 ppm2      2.263 CV     1
  ASSI {  340}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 76   and name HA1 ))
       3.700     1.700     1.700 peak   340 spectrum    1 weight  0.10000E+01 volume  0.57451E-03 ppm1      1.418 ppm2      3.928 CV     1
  ASSI {  341}
    (( segid "    " and resid 74   and name HG3 ))
    (( segid "    " and resid 74   and name HA  ))
       3.200     1.300     1.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.15847E-02 ppm1      1.423 ppm2      4.183 CV     1
  ASSI {  342}
    (( segid "    " and resid 100  and name HB  ))
    (  segid "    " and resid 100  and name HG2%)
       2.100     0.500     0.500 peak   342 spectrum    1 weight  0.10000E+01 volume  0.12164E-01 ppm1      1.425 ppm2      0.744 CV     1
  ASSI {  343}
    (( segid "    " and resid 74   and name HG3 ))
    (( segid "    " and resid 79   and name HA  ))
       3.600     1.600     1.600 peak   343 spectrum    1 weight  0.10000E+01 volume  0.73222E-03 ppm1      1.425 ppm2      4.461 CV     1
  ASSI {  344}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 76   and name HA2 ))
       3.800     1.800     1.800 peak   344 spectrum    1 weight  0.10000E+01 volume  0.53509E-03 ppm1      1.427 ppm2      3.559 CV     1
  ASSI {  348}
    (( segid "    " and resid 111  and name HG3 ))
    (( segid "    " and resid 108  and name HA  ))
       2.800     1.000     1.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.29120E-02 ppm1      1.483 ppm2      4.904 CV     1
  OR {  348}
    (( segid "    " and resid 111  and name HG2 ))
    (( segid "    " and resid 108  and name HA  ))
  ASSI {  349}
    (( segid "    " and resid 114  and name HG3 ))
    (( segid "    " and resid 114  and name HA  ))
       3.000     1.100     1.100 peak   349 spectrum    1 weight  0.10000E+01 volume  0.14701E-02 ppm1      1.487 ppm2      4.637 CV     1
  ASSI {  351}
    (( segid "    " and resid 97   and name HG3 ))
    (( segid "    " and resid 97   and name HA  ))
       2.600     0.800     0.800 peak   351 spectrum    1 weight  0.10000E+01 volume  0.34948E-02 ppm1      1.536 ppm2      4.049 CV     1
  OR {  351}
    (( segid "    " and resid 97   and name HG2 ))
    (( segid "    " and resid 97   and name HA  ))
  ASSI {  353}
    (  segid "    " and resid 70   and name HG1%)
    (( segid "    " and resid 70   and name HA  ))
       2.500     0.800     0.800 peak   353 spectrum    1 weight  0.10000E+01 volume  0.47506E-02 ppm1      1.552 ppm2      4.109 CV     1
  ASSI {  354}
    (( segid "    " and resid 106  and name HD3 ))
    (( segid "    " and resid 105  and name HA  ))
       2.400     0.700     0.700 peak   354 spectrum    1 weight  0.10000E+01 volume  0.32968E-02 ppm1      1.557 ppm2      3.766 CV     1
  ASSI {  355}
    (( segid "    " and resid 53   and name HG2 ))
    (( segid "    " and resid 53   and name HB3 ))
       2.300     0.700     0.700 peak   355 spectrum    1 weight  0.10000E+01 volume  0.55792E-02 ppm1      1.561 ppm2      1.369 CV     1
  OR {  355}
    (( segid "    " and resid 53   and name HG3 ))
    (( segid "    " and resid 53   and name HB3 ))
  ASSI {  356}
    (( segid "    " and resid 44   and name HG3 ))
    (( segid "    " and resid 44   and name HA  ))
       2.500     0.800     0.800 peak   356 spectrum    1 weight  0.10000E+01 volume  0.52438E-02 ppm1      1.566 ppm2      4.553 CV     1
  OR {  356}
    (( segid "    " and resid 44   and name HG2 ))
    (( segid "    " and resid 44   and name HA  ))
  ASSI {  358}
    (( segid "    " and resid 30   and name HD3 ))
    (( segid "    " and resid 30   and name HG2 ))
       2.200     0.600     0.600 peak   358 spectrum    1 weight  0.10000E+01 volume  0.85556E-02 ppm1      1.580 ppm2      1.187 CV     1
  OR {  358}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HG2 ))
  OR {  358}
    (( segid "    " and resid 30   and name HD2 ))
    (( segid "    " and resid 30   and name HG2 ))
  OR {  358}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HG2 ))
  ASSI {  359}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HG3 ))
       2.200     0.600     0.600 peak   359 spectrum    1 weight  0.10000E+01 volume  0.84930E-02 ppm1      1.585 ppm2      1.086 CV     1
  OR {  359}
    (( segid "    " and resid 30   and name HD2 ))
    (( segid "    " and resid 30   and name HG3 ))
  OR {  359}
    (( segid "    " and resid 30   and name HD3 ))
    (( segid "    " and resid 30   and name HG3 ))
  OR {  359}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HG3 ))
  ASSI {  360}
    (  segid "    " and resid 90   and name HG2%)
    (( segid "    " and resid 90   and name HA  ))
       2.600     0.800     0.800 peak   360 spectrum    1 weight  0.10000E+01 volume  0.42060E-02 ppm1      1.587 ppm2      4.480 CV     1
  ASSI {  361}
    (( segid "    " and resid 29   and name HB  ))
    (( segid "    " and resid 29   and name HA  ))
       2.700     0.900     0.900 peak   361 spectrum    1 weight  0.10000E+01 volume  0.32856E-02 ppm1      1.589 ppm2      3.769 CV     1
  ASSI {  362}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 30   and name HA  ))
       2.100     0.600     0.600 peak   362 spectrum    1 weight  0.10000E+01 volume  0.11562E-01 ppm1      1.590 ppm2      4.070 CV     1
  OR {  362}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 30   and name HA  ))
  ASSI {  363}
    (( segid "    " and resid 29   and name HB  ))
    (  segid "    " and resid 29   and name HG2%)
       2.400     0.700     0.700 peak   363 spectrum    1 weight  0.10000E+01 volume  0.58332E-02 ppm1      1.590 ppm2      0.353 CV     1
  ASSI {  364}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 36   and name HA  ))
       2.500     0.800     0.800 peak   364 spectrum    1 weight  0.10000E+01 volume  0.43175E-02 ppm1      1.590 ppm2      4.090 CV     1
  OR {  364}
    (( segid "    " and resid 39   and name HG2 ))
    (( segid "    " and resid 36   and name HA  ))
  OR {  364}
    (( segid "    " and resid 39   and name HD3 ))
    (( segid "    " and resid 36   and name HA  ))
  ASSI {  365}
    (( segid "    " and resid 39   and name HG2 ))
    (( segid "    " and resid 39   and name HE3 ))
       2.000     0.500     0.500 peak   365 spectrum    1 weight  0.10000E+01 volume  0.17684E-01 ppm1      1.592 ppm2      2.917 CV     1
  ASSI {  367}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 102  and name HA2 ))
       3.000     1.100     1.100 peak   367 spectrum    1 weight  0.10000E+01 volume  0.15967E-02 ppm1      1.593 ppm2      4.049 CV     1
  OR {  367}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 102  and name HA2 ))
  OR {  367}
    (( segid "    " and resid 30   and name HD2 ))
    (( segid "    " and resid 102  and name HA2 ))
  ASSI {  368}
    (( segid "    " and resid 53   and name HG2 ))
    (( segid "    " and resid 53   and name HA  ))
       2.700     0.900     0.900 peak   368 spectrum    1 weight  0.10000E+01 volume  0.23218E-02 ppm1      1.594 ppm2      4.750 CV     1
  ASSI {  369}
    (( segid "    " and resid 29   and name HB  ))
    (  segid "    " and resid 29   and name HG1%)
       2.400     0.700     0.700 peak   369 spectrum    1 weight  0.10000E+01 volume  0.56106E-02 ppm1      1.595 ppm2      0.684 CV     1
  ASSI {  370}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 39   and name HA  ))
       2.300     0.700     0.700 peak   370 spectrum    1 weight  0.10000E+01 volume  0.99334E-02 ppm1      1.596 ppm2      4.040 CV     1
  OR {  370}
    (( segid "    " and resid 39   and name HG2 ))
    (( segid "    " and resid 39   and name HA  ))
  ASSI {  371}
    (( segid "    " and resid 112  and name HB2 ))
    (( segid "    " and resid 108  and name HA  ))
       2.700     0.900     0.900 peak   371 spectrum    1 weight  0.10000E+01 volume  0.26867E-02 ppm1      1.642 ppm2      4.905 CV     1
  OR {  371}
    (( segid "    " and resid 112  and name HB3 ))
    (( segid "    " and resid 108  and name HA  ))
  ASSI {  372}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 33   and name HB  ))
       4.300     2.300     1.700 peak   372 spectrum    1 weight  0.10000E+01 volume  0.50860E-03 ppm1      1.657 ppm2      4.836 CV     1
  ASSI {  373}
    (( segid "    " and resid 57   and name HB2 ))
    (( segid "    " and resid 60   and name HA  ))
       4.800     2.800     1.200 peak   373 spectrum    1 weight  0.10000E+01 volume  0.49860E-03 ppm1      1.661 ppm2      5.170 CV     1
  ASSI {  375}
    (( segid "    " and resid 34   and name HG  ))
    (( segid "    " and resid 38   and name HG2 ))
       3.000     1.100     1.100 peak   375 spectrum    1 weight  0.10000E+01 volume  0.13937E-02 ppm1      1.663 ppm2      2.559 CV     1
  OR {  375}
    (( segid "    " and resid 34   and name HG  ))
    (( segid "    " and resid 38   and name HG3 ))
  ASSI {  376}
    (( segid "    " and resid 57   and name HB2 ))
    (( segid "    " and resid 57   and name HA  ))
       2.600     0.800     0.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.51504E-02 ppm1      1.665 ppm2      4.280 CV     1
  ASSI {  383}
    (( segid "    " and resid 57   and name HB2 ))
    (( segid "    " and resid 46   and name HB  ))
       3.400     1.400     1.400 peak   383 spectrum    1 weight  0.10000E+01 volume  0.49047E-03 ppm1      1.670 ppm2      3.641 CV     1
  ASSI {  384}
    (( segid "    " and resid 59   and name HG2 ))
    (( segid "    " and resid 59   and name HA  ))
       2.700     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.37987E-02 ppm1      1.682 ppm2      4.585 CV     1
  OR {  384}
    (( segid "    " and resid 59   and name HG3 ))
    (( segid "    " and resid 59   and name HA  ))
  ASSI {  385}
    (( segid "    " and resid 104  and name HB2 ))
    (( segid "    " and resid 52   and name HB2 ))
       2.600     2.600     3.400 peak   385 spectrum    1 weight  0.10000E+01 volume  0.97948E-03 ppm1      1.685 ppm2      3.659 CV     1
  ASSI {  386}
    (( segid "    " and resid 104  and name HB2 ))
    (( segid "    " and resid 31   and name HA  ))
       3.700     3.700     2.300 peak   386 spectrum    1 weight  0.10000E+01 volume  0.59257E-03 ppm1      1.687 ppm2      5.691 CV     1
  ASSI {  387}
    (( segid "    " and resid 104  and name HB2 ))
    (  segid "    " and resid 104  and name HD2%)
       2.300     2.300     3.700 peak   387 spectrum    1 weight  0.10000E+01 volume  0.82208E-02 ppm1      1.692 ppm2      1.049 CV     1
  ASSI {  389}
    (( segid "    " and resid 119  and name HG  ))
    (  segid "    " and resid 119  and name HD2%)
       2.100     0.600     0.600 peak   389 spectrum    1 weight  0.10000E+01 volume  0.11520E-01 ppm1      1.701 ppm2      0.870 CV     1
  OR {  389}
    (( segid "    " and resid 119  and name HB3 ))
    (  segid "    " and resid 119  and name HD2%)
  ASSI {  391}
    (( segid "    " and resid 59   and name HG2 ))
    (( segid "    " and resid 58   and name HB  ))
       3.200     1.300     1.300 peak   391 spectrum    1 weight  0.10000E+01 volume  0.96563E-03 ppm1      1.701 ppm2      4.328 CV     1
  OR {  391}
    (( segid "    " and resid 59   and name HG3 ))
    (( segid "    " and resid 58   and name HB  ))
  ASSI {  392}
    (( segid "    " and resid 104  and name HB2 ))
    (( segid "    " and resid 108  and name HB3 ))
       3.100     1.200     1.200 peak   392 spectrum    1 weight  0.10000E+01 volume  0.31380E-02 ppm1      1.706 ppm2      2.664 CV     1
  ASSI {  393}
    (( segid "    " and resid 103  and name HB3 ))
    (( segid "    " and resid 103  and name HA  ))
       2.900     1.000     1.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.23900E-02 ppm1      1.707 ppm2      5.122 CV     1
  ASSI {  394}
    (( segid "    " and resid 109  and name HB2 ))
    (( segid "    " and resid 109  and name HA  ))
       2.600     0.800     0.800 peak   394 spectrum    1 weight  0.10000E+01 volume  0.31906E-02 ppm1      1.710 ppm2      4.077 CV     1
  ASSI {  396}
    (( segid "    " and resid 104  and name HB2 ))
    (( segid "    " and resid 108  and name HB2 ))
       2.900     1.100     1.100 peak   396 spectrum    1 weight  0.10000E+01 volume  0.48994E-02 ppm1      1.715 ppm2      2.837 CV     1
  ASSI {  397}
    (( segid "    " and resid 119  and name HB3 ))
    (( segid "    " and resid 119  and name HA  ))
       2.300     0.700     0.700 peak   397 spectrum    1 weight  0.10000E+01 volume  0.67014E-02 ppm1      1.721 ppm2      4.326 CV     1
  ASSI {  400}
    (( segid "    " and resid 106  and name HB3 ))
    (( segid "    " and resid 109  and name HB3 ))
       2.400     2.400     3.600 peak   400 spectrum    1 weight  0.10000E+01 volume  0.65304E-02 ppm1      1.731 ppm2      1.135 CV     1
  ASSI {  401}
    (( segid "    " and resid 106  and name HB3 ))
    (( segid "    " and resid 106  and name HA  ))
       2.300     0.600     0.600 peak   401 spectrum    1 weight  0.10000E+01 volume  0.57931E-02 ppm1      1.735 ppm2      3.691 CV     1
  ASSI {  402}
    (( segid "    " and resid 72   and name HG3 ))
    (( segid "    " and resid 72   and name HA  ))
       2.900     1.000     1.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.24249E-02 ppm1      1.739 ppm2      3.854 CV     1
  ASSI {  404}
    (( segid "    " and resid 72   and name HG3 ))
    (( segid "    " and resid 72   and name HD2 ))
       2.200     0.600     0.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.71438E-02 ppm1      1.748 ppm2      3.367 CV     1
  OR {  404}
    (( segid "    " and resid 72   and name HG3 ))
    (( segid "    " and resid 72   and name HD3 ))
  ASSI {  405}
    (( segid "    " and resid 114  and name HB2 ))
    (( segid "    " and resid 115  and name HD2 ))
       3.000     1.100     1.100 peak   405 spectrum    1 weight  0.10000E+01 volume  0.19625E-02 ppm1      1.751 ppm2      3.859 CV     1
  OR {  405}
    (( segid "    " and resid 114  and name HB3 ))
    (( segid "    " and resid 115  and name HD2 ))
  ASSI {  406}
    (( segid "    " and resid 101  and name HB  ))
    (( segid "    " and resid 101  and name HA  ))
       2.300     0.700     0.700 peak   406 spectrum    1 weight  0.10000E+01 volume  0.66618E-02 ppm1      1.758 ppm2      4.566 CV     1
  ASSI {  408}
    (( segid "    " and resid 114  and name HB3 ))
    (( segid "    " and resid 114  and name HA  ))
       2.700     0.900     0.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.33983E-02 ppm1      1.762 ppm2      4.632 CV     1
  ASSI {  413}
    (( segid "    " and resid 97   and name HD2 ))
    (( segid "    " and resid 94   and name HA  ))
       2.600     0.800     0.800 peak   413 spectrum    1 weight  0.10000E+01 volume  0.41198E-02 ppm1      1.782 ppm2      4.296 CV     1
  OR {  413}
    (( segid "    " and resid 97   and name HD3 ))
    (( segid "    " and resid 94   and name HA  ))
  ASSI {  414}
    (( segid "    " and resid 56   and name HB3 ))
    (( segid "    " and resid 56   and name HA  ))
       2.700     0.900     0.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.33756E-02 ppm1      1.794 ppm2      4.990 CV     1
  ASSI {  416}
    (( segid "    " and resid 82   and name HB3 ))
    (( segid "    " and resid 79   and name HA  ))
       2.300     2.300     3.700 peak   416 spectrum    1 weight  0.10000E+01 volume  0.19525E-02 ppm1      1.801 ppm2      4.462 CV     1
  ASSI {  417}
    (( segid "    " and resid 56   and name HB3 ))
    (  segid "    " and resid 54   and name HG2%)
       3.600     3.600     2.400 peak   417 spectrum    1 weight  0.10000E+01 volume  0.59363E-03 ppm1      1.803 ppm2      0.063 CV     1
  ASSI {  418}
    (( segid "    " and resid 74   and name HB2 ))
    (( segid "    " and resid 75   and name HA  ))
       3.800     1.800     1.800 peak   418 spectrum    1 weight  0.10000E+01 volume  0.38255E-03 ppm1      1.804 ppm2      3.780 CV     1
  ASSI {  419}
    (( segid "    " and resid 56   and name HB3 ))
    (( segid "    " and resid 47   and name HA  ))
       4.200     2.200     1.800 peak   419 spectrum    1 weight  0.10000E+01 volume  0.64099E-03 ppm1      1.808 ppm2      6.168 CV     1
  ASSI {  420}
    (( segid "    " and resid 74   and name HB2 ))
    (  segid "    " and resid 79   and name HB% )
       2.800     1.000     1.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.52382E-02 ppm1      1.813 ppm2      0.204 CV     1
  ASSI {  422}
    (( segid "    " and resid 110  and name HB3 ))
    (( segid "    " and resid 110  and name HD3 ))
       2.900     1.100     1.100 peak   422 spectrum    1 weight  0.10000E+01 volume  0.23065E-02 ppm1      1.815 ppm2      3.529 CV     1
  ASSI {  424}
    (( segid "    " and resid 110  and name HB3 ))
    (( segid "    " and resid 115  and name HD3 ))
       3.300     3.300     2.700 peak   424 spectrum    1 weight  0.10000E+01 volume  0.92141E-03 ppm1      1.820 ppm2      3.657 CV     1
  ASSI {  425}
    (( segid "    " and resid 74   and name HB2 ))
    (( segid "    " and resid 74   and name HA  ))
       2.600     0.800     0.800 peak   425 spectrum    1 weight  0.10000E+01 volume  0.55200E-02 ppm1      1.822 ppm2      4.184 CV     1
  ASSI {  428}
    (( segid "    " and resid 74   and name HB2 ))
    (( segid "    " and resid 74   and name HG3 ))
       2.300     0.700     0.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.61639E-02 ppm1      1.826 ppm2      1.453 CV     1
  ASSI {  429}
    (( segid "    " and resid 64   and name HB3 ))
    (( segid "    " and resid 64   and name HB2 ))
       1.900     0.400     0.400 peak   429 spectrum    1 weight  0.10000E+01 volume  0.11628E-01 ppm1      1.833 ppm2      2.412 CV     1
  ASSI {  431}
    (( segid "    " and resid 74   and name HB2 ))
    (( segid "    " and resid 71   and name HA  ))
       3.600     1.700     1.700 peak   431 spectrum    1 weight  0.10000E+01 volume  0.34930E-03 ppm1      1.837 ppm2      3.154 CV     1
  ASSI {  433}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 40   and name HA  ))
       2.500     0.800     0.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.34170E-02 ppm1      1.853 ppm2      3.996 CV     1
  ASSI {  437}
    (( segid "    " and resid 55   and name HB3 ))
    (( segid "    " and resid 100  and name HA  ))
       3.600     1.600     1.600 peak   437 spectrum    1 weight  0.10000E+01 volume  0.61045E-03 ppm1      1.867 ppm2      3.465 CV     1
  ASSI {  439}
    (( segid "    " and resid 55   and name HB3 ))
    (( segid "    " and resid 99   and name HB3 ))
       2.900     1.000     1.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.13072E-02 ppm1      1.878 ppm2      2.560 CV     1
  ASSI {  441}
    (( segid "    " and resid 55   and name HB3 ))
    (( segid "    " and resid 55   and name HA  ))
       2.300     0.700     0.700 peak   441 spectrum    1 weight  0.10000E+01 volume  0.47712E-02 ppm1      1.882 ppm2      4.432 CV     1
  ASSI {  442}
    (( segid "    " and resid 111  and name HB3 ))
    (( segid "    " and resid 108  and name HA  ))
       3.100     1.200     1.200 peak   442 spectrum    1 weight  0.10000E+01 volume  0.12741E-02 ppm1      1.890 ppm2      4.901 CV     1
  ASSI {  443}
    (( segid "    " and resid 44   and name HB3 ))
    (( segid "    " and resid 44   and name HA  ))
       2.400     0.700     0.700 peak   443 spectrum    1 weight  0.10000E+01 volume  0.44623E-02 ppm1      1.901 ppm2      4.551 CV     1
  ASSI {  444}
    (( segid "    " and resid 97   and name HB3 ))
    (( segid "    " and resid 100  and name HG13))
       4.400     2.400     1.600 peak   444 spectrum    1 weight  0.10000E+01 volume  0.35001E-03 ppm1      1.910 ppm2     -0.217 CV     1
  ASSI {  445}
    (( segid "    " and resid 97   and name HB3 ))
    (  segid "    " and resid 100  and name HD1%)
       3.000     3.000     3.000 peak   445 spectrum    1 weight  0.10000E+01 volume  0.30715E-02 ppm1      1.920 ppm2      0.815 CV     1
  OR {  445}
    (( segid "    " and resid 97   and name HB2 ))
    (  segid "    " and resid 100  and name HD1%)
  ASSI {  446}
    (( segid "    " and resid 97   and name HB2 ))
    (( segid "    " and resid 98   and name HA  ))
       3.100     1.200     1.200 peak   446 spectrum    1 weight  0.10000E+01 volume  0.13968E-02 ppm1      1.927 ppm2      3.888 CV     1
  OR {  446}
    (( segid "    " and resid 97   and name HB3 ))
    (( segid "    " and resid 98   and name HA  ))
  ASSI {  447}
    (( segid "    " and resid 97   and name HB3 ))
    (( segid "    " and resid 97   and name HA  ))
       2.300     0.600     0.600 peak   447 spectrum    1 weight  0.10000E+01 volume  0.68169E-02 ppm1      1.931 ppm2      4.040 CV     1
  OR {  447}
    (( segid "    " and resid 97   and name HB2 ))
    (( segid "    " and resid 97   and name HA  ))
  ASSI {  449}
    (( segid "    " and resid 73   and name HB2 ))
    (( segid "    " and resid 73   and name HA  ))
       2.200     0.600     0.600 peak   449 spectrum    1 weight  0.10000E+01 volume  0.91070E-02 ppm1      1.945 ppm2      3.999 CV     1
  OR {  449}
    (( segid "    " and resid 73   and name HB3 ))
    (( segid "    " and resid 73   and name HA  ))
  ASSI {  450}
    (( segid "    " and resid 72   and name HG2 ))
    (  segid "    " and resid 75   and name HB% )
       3.200     3.200     2.800 peak   450 spectrum    1 weight  0.10000E+01 volume  0.16855E-02 ppm1      1.950 ppm2      1.420 CV     1
  ASSI {  451}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 38   and name HA  ))
       2.400     0.700     0.700 peak   451 spectrum    1 weight  0.10000E+01 volume  0.47475E-02 ppm1      1.961 ppm2      4.335 CV     1
  ASSI {  453}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 36   and name HA  ))
       3.200     3.200     2.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.18953E-02 ppm1      1.961 ppm2      4.097 CV     1
  ASSI {  454}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 38   and name HG3 ))
       2.400     0.700     0.700 peak   454 spectrum    1 weight  0.10000E+01 volume  0.63100E-02 ppm1      1.967 ppm2      2.557 CV     1
  OR {  454}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 38   and name HG2 ))
  ASSI {  455}
    (( segid "    " and resid 72   and name HG2 ))
    (( segid "    " and resid 72   and name HG3 ))
       1.600     0.300     0.600 peak   455 spectrum    1 weight  0.10000E+01 volume  0.24881E-01 ppm1      1.968 ppm2      1.757 CV     1
  ASSI {  456}
    (( segid "    " and resid 115  and name HB3 ))
    (( segid "    " and resid 115  and name HA  ))
       2.700     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.18959E-02 ppm1      1.975 ppm2      4.736 CV     1
  ASSI {  457}
    (( segid "    " and resid 72   and name HG2 ))
    (( segid "    " and resid 72   and name HD3 ))
       2.100     0.500     0.500 peak   457 spectrum    1 weight  0.10000E+01 volume  0.14295E-01 ppm1      1.980 ppm2      3.368 CV     1
  OR {  457}
    (( segid "    " and resid 72   and name HG2 ))
    (( segid "    " and resid 72   and name HD2 ))
  OR {  457}
    (( segid "    " and resid 72   and name HB3 ))
    (( segid "    " and resid 72   and name HD3 ))
  ASSI {  459}
    (( segid "    " and resid 116  and name HB3 ))
    (( segid "    " and resid 116  and name HA  ))
       2.900     1.000     1.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.15617E-02 ppm1      1.982 ppm2      4.449 CV     1
  ASSI {  460}
    (( segid "    " and resid 59   and name HB3 ))
    (( segid "    " and resid 59   and name HA  ))
       2.400     0.700     0.700 peak   460 spectrum    1 weight  0.10000E+01 volume  0.48792E-02 ppm1      1.984 ppm2      4.584 CV     1
  ASSI {  462}
    (( segid "    " and resid 73   and name HB3 ))
    (( segid "    " and resid 73   and name HG2 ))
       2.200     0.600     0.600 peak   462 spectrum    1 weight  0.10000E+01 volume  0.64451E-02 ppm1      1.994 ppm2      2.408 CV     1
  ASSI {  464}
    (( segid "    " and resid 72   and name HB3 ))
    (( segid "    " and resid 72   and name HA  ))
       2.200     2.200     3.800 peak   464 spectrum    1 weight  0.10000E+01 volume  0.77174E-02 ppm1      2.003 ppm2      3.848 CV     1
  ASSI {  465}
    (( segid "    " and resid 72   and name HB3 ))
    (( segid "    " and resid 69   and name HA  ))
       2.900     1.000     1.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.65105E-02 ppm1      2.009 ppm2      4.238 CV     1
  ASSI {  467}
    (( segid "    " and resid 74   and name HG2 ))
    (( segid "    " and resid 74   and name HA  ))
       2.800     0.900     0.900 peak   467 spectrum    1 weight  0.10000E+01 volume  0.25440E-02 ppm1      2.041 ppm2      4.184 CV     1
  ASSI {  468}
    (( segid "    " and resid 37   and name HG12))
    (( segid "    " and resid 37   and name HA  ))
       2.800     1.000     1.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.15211E-02 ppm1      2.042 ppm2      3.625 CV     1
  ASSI {  471}
    (( segid "    " and resid 37   and name HG12))
    (( segid "    " and resid 32   and name HB2 ))
       3.300     1.400     1.400 peak   471 spectrum    1 weight  0.10000E+01 volume  0.16407E-02 ppm1      2.046 ppm2      3.144 CV     1
  ASSI {  473}
    (( segid "    " and resid 37   and name HG12))
    (  segid "    " and resid 54   and name HG2%)
       3.400     1.500     1.500 peak   473 spectrum    1 weight  0.10000E+01 volume  0.66662E-03 ppm1      2.052 ppm2      0.060 CV     1
  ASSI {  474}
    (( segid "    " and resid 61   and name HB3 ))
    (  segid "    " and resid 61   and name HD2%)
       2.200     2.200     3.800 peak   474 spectrum    1 weight  0.10000E+01 volume  0.65796E-02 ppm1      2.059 ppm2      1.196 CV     1
  ASSI {  476}
    (( segid "    " and resid 74   and name HG2 ))
    (  segid "    " and resid 79   and name HB% )
       3.500     1.600     1.600 peak   476 spectrum    1 weight  0.10000E+01 volume  0.14283E-02 ppm1      2.064 ppm2      0.209 CV     1
  ASSI {  477}
    (( segid "    " and resid 61   and name HB3 ))
    (( segid "    " and resid 68   and name HB2 ))
       3.200     3.200     2.800 peak   477 spectrum    1 weight  0.10000E+01 volume  0.13918E-02 ppm1      2.064 ppm2      2.882 CV     1
  ASSI {  479}
    (( segid "    " and resid 61   and name HB3 ))
    (( segid "    " and resid 68   and name HA  ))
       3.600     1.600     1.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.73409E-03 ppm1      2.076 ppm2      5.790 CV     1
  ASSI {  483}
    (( segid "    " and resid 61   and name HB3 ))
    (( segid "    " and resid 61   and name HA  ))
       2.400     0.700     0.700 peak   483 spectrum    1 weight  0.10000E+01 volume  0.46282E-02 ppm1      2.085 ppm2      4.774 CV     1
  ASSI {  484}
    (( segid "    " and resid 55   and name HB2 ))
    (  segid "    " and resid 57   and name HD2%)
       3.000     3.000     3.000 peak   484 spectrum    1 weight  0.10000E+01 volume  0.23895E-02 ppm1      2.091 ppm2     -0.057 CV     1
  ASSI {  486}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 55   and name HA  ))
       2.700     0.900     0.900 peak   486 spectrum    1 weight  0.10000E+01 volume  0.36602E-02 ppm1      2.097 ppm2      4.432 CV     1
  ASSI {  487}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 99   and name HB2 ))
       4.700     2.800     1.300 peak   487 spectrum    1 weight  0.10000E+01 volume  0.62100E-03 ppm1      2.104 ppm2      3.630 CV     1
  ASSI {  489}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 38   and name HA  ))
       2.500     0.800     0.800 peak   489 spectrum    1 weight  0.10000E+01 volume  0.39457E-02 ppm1      2.111 ppm2      4.333 CV     1
  ASSI {  491}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 38   and name HG3 ))
       2.300     0.700     0.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.59892E-02 ppm1      2.118 ppm2      2.557 CV     1
  OR {  491}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 38   and name HG2 ))
  ASSI {  492}
    (( segid "    " and resid 53   and name HB2 ))
    (( segid "    " and resid 100  and name HG13))
       4.700     2.800     1.300 peak   492 spectrum    1 weight  0.10000E+01 volume  0.44181E-03 ppm1      2.121 ppm2     -0.222 CV     1
  ASSI {  493}
    (( segid "    " and resid 44   and name HB2 ))
    (( segid "    " and resid 44   and name HB3 ))
       1.700     0.300     0.500 peak   493 spectrum    1 weight  0.10000E+01 volume  0.21936E-01 ppm1      2.160 ppm2      1.917 CV     1
  ASSI {  495}
    (( segid "    " and resid 44   and name HB2 ))
    (( segid "    " and resid 44   and name HA  ))
       2.500     0.800     0.800 peak   495 spectrum    1 weight  0.10000E+01 volume  0.64298E-02 ppm1      2.164 ppm2      4.553 CV     1
  ASSI {  496}
    (( segid "    " and resid 106  and name HB2 ))
    (( segid "    " and resid 106  and name HB3 ))
       1.900     0.400     0.400 peak   496 spectrum    1 weight  0.10000E+01 volume  0.12115E-01 ppm1      2.167 ppm2      1.752 CV     1
  ASSI {  497}
    (( segid "    " and resid 106  and name HB2 ))
    (( segid "    " and resid 106  and name HA  ))
       2.800     1.000     1.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.37374E-02 ppm1      2.168 ppm2      3.690 CV     1
  ASSI {  498}
    (( segid "    " and resid 103  and name HG3 ))
    (( segid "    " and resid 53   and name HA  ))
       2.600     0.800     0.800 peak   498 spectrum    1 weight  0.10000E+01 volume  0.34762E-02 ppm1      2.174 ppm2      4.751 CV     1
  OR {  498}
    (( segid "    " and resid 103  and name HB2 ))
    (( segid "    " and resid 53   and name HA  ))
  ASSI {  500}
    (( segid "    " and resid 103  and name HB2 ))
    (( segid "    " and resid 103  and name HB3 ))
       1.900     0.400     0.400 peak   500 spectrum    1 weight  0.10000E+01 volume  0.13801E-01 ppm1      2.177 ppm2      1.730 CV     1
  ASSI {  502}
    (( segid "    " and resid 103  and name HB2 ))
    (( segid "    " and resid 103  and name HA  ))
       2.200     0.600     0.600 peak   502 spectrum    1 weight  0.10000E+01 volume  0.75804E-02 ppm1      2.189 ppm2      5.121 CV     1
  OR {  502}
    (( segid "    " and resid 103  and name HG3 ))
    (( segid "    " and resid 103  and name HA  ))
  ASSI {  503}
    (( segid "    " and resid 103  and name HB2 ))
    (( segid "    " and resid 102  and name HA1 ))
       3.800     1.800     1.800 peak   503 spectrum    1 weight  0.10000E+01 volume  0.39494E-03 ppm1      2.192 ppm2      4.388 CV     1
  ASSI {  504}
    (( segid "    " and resid 103  and name HB2 ))
    (( segid "    " and resid 31   and name HA  ))
       4.300     2.300     1.700 peak   504 spectrum    1 weight  0.10000E+01 volume  0.44881E-03 ppm1      2.194 ppm2      5.693 CV     1
  OR {  504}
    (( segid "    " and resid 103  and name HG3 ))
    (( segid "    " and resid 31   and name HA  ))
  ASSI {  505}
    (( segid "    " and resid 103  and name HB2 ))
    (( segid "    " and resid 102  and name HA2 ))
       4.100     2.100     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.41092E-03 ppm1      2.202 ppm2      4.041 CV     1
  ASSI {  506}
    (( segid "    " and resid 59   and name HB2 ))
    (( segid "    " and resid 59   and name HG2 ))
       2.400     0.700     0.700 peak   506 spectrum    1 weight  0.10000E+01 volume  0.48792E-02 ppm1      2.214 ppm2      1.684 CV     1
  OR {  506}
    (( segid "    " and resid 59   and name HB2 ))
    (( segid "    " and resid 59   and name HG3 ))
  ASSI {  508}
    (( segid "    " and resid 59   and name HB2 ))
    (( segid "    " and resid 59   and name HA  ))
       2.500     0.800     0.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.63025E-02 ppm1      2.216 ppm2      4.583 CV     1
  ASSI {  509}
    (( segid "    " and resid 27   and name HG3 ))
    (( segid "    " and resid 27   and name HA  ))
       2.700     0.900     0.900 peak   509 spectrum    1 weight  0.10000E+01 volume  0.32068E-02 ppm1      2.217 ppm2      4.229 CV     1
  OR {  509}
    (( segid "    " and resid 27   and name HG2 ))
    (( segid "    " and resid 27   and name HA  ))
  ASSI {  512}
    (( segid "    " and resid 82   and name HB2 ))
    (( segid "    " and resid 82   and name HA  ))
       2.200     0.600     0.600 peak   512 spectrum    1 weight  0.10000E+01 volume  0.78295E-02 ppm1      2.225 ppm2      4.332 CV     1
  ASSI {  513}
    (( segid "    " and resid 95   and name HB3 ))
    (( segid "    " and resid 95   and name HA  ))
       2.700     0.900     0.900 peak   513 spectrum    1 weight  0.10000E+01 volume  0.47849E-02 ppm1      2.233 ppm2      4.171 CV     1
  ASSI {  516}
    (( segid "    " and resid 78   and name HB3 ))
    (( segid "    " and resid 78   and name HA  ))
       2.900     1.000     1.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.25649E-02 ppm1      2.248 ppm2      4.777 CV     1
  ASSI {  517}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 76   and name HA1 ))
       3.000     1.100     1.100 peak   517 spectrum    1 weight  0.10000E+01 volume  0.14085E-02 ppm1      2.249 ppm2      3.930 CV     1
  ASSI {  518}
    (( segid "    " and resid 70   and name HB  ))
    (  segid "    " and resid 70   and name HG1%)
       2.300     0.700     0.700 peak   518 spectrum    1 weight  0.10000E+01 volume  0.72631E-02 ppm1      2.252 ppm2      1.580 CV     1
  ASSI {  519}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 33   and name HB  ))
       3.700     1.700     1.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.49857E-03 ppm1      2.253 ppm2      4.839 CV     1
  OR {  519}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 33   and name HB  ))
  ASSI {  520}
    (( segid "    " and resid 106  and name HD2 ))
    (( segid "    " and resid 106  and name HD3 ))
       2.000     0.500     0.500 peak   520 spectrum    1 weight  0.10000E+01 volume  0.79263E-02 ppm1      2.254 ppm2      1.567 CV     1
  ASSI {  524}
    (( segid "    " and resid 70   and name HB  ))
    (  segid "    " and resid 70   and name HG2%)
       2.700     0.900     0.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.25716E-02 ppm1      2.257 ppm2      1.476 CV     1
  ASSI {  525}
    (( segid "    " and resid 70   and name HB  ))
    (( segid "    " and resid 70   and name HA  ))
       2.300     0.600     0.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.80262E-02 ppm1      2.258 ppm2      4.108 CV     1
  ASSI {  528}
    (( segid "    " and resid 78   and name HB3 ))
    (  segid "    " and resid 80   and name HG2%)
       3.400     1.400     1.400 peak   528 spectrum    1 weight  0.10000E+01 volume  0.71644E-03 ppm1      2.260 ppm2      0.455 CV     1
  ASSI {  529}
    (( segid "    " and resid 94   and name HB3 ))
    (( segid "    " and resid 94   and name HA  ))
       2.200     0.600     0.600 peak   529 spectrum    1 weight  0.10000E+01 volume  0.72783E-02 ppm1      2.270 ppm2      4.295 CV     1
  ASSI {  533}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 40   and name HA  ))
       3.000     1.100     1.100 peak   533 spectrum    1 weight  0.10000E+01 volume  0.23451E-02 ppm1      2.293 ppm2      3.996 CV     1
  ASSI {  536}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 36   and name HA  ))
       2.400     0.700     0.700 peak   536 spectrum    1 weight  0.10000E+01 volume  0.54057E-02 ppm1      2.317 ppm2      4.093 CV     1
  ASSI {  537}
    (( segid "    " and resid 94   and name HB2 ))
    (( segid "    " and resid 91   and name HA  ))
       2.600     0.800     0.800 peak   537 spectrum    1 weight  0.10000E+01 volume  0.35157E-02 ppm1      2.324 ppm2      4.512 CV     1
  ASSI {  538}
    (( segid "    " and resid 116  and name HB2 ))
    (( segid "    " and resid 116  and name HA  ))
       3.200     1.300     1.300 peak   538 spectrum    1 weight  0.10000E+01 volume  0.16189E-02 ppm1      2.348 ppm2      4.450 CV     1
  ASSI {  539}
    (( segid "    " and resid 115  and name HB2 ))
    (( segid "    " and resid 115  and name HA  ))
       2.900     1.100     1.100 peak   539 spectrum    1 weight  0.10000E+01 volume  0.23884E-02 ppm1      2.383 ppm2      4.735 CV     1
  ASSI {  540}
    (( segid "    " and resid 115  and name HB2 ))
    (( segid "    " and resid 116  and name HD3 ))
       4.000     2.000     2.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.64118E-03 ppm1      2.385 ppm2      3.696 CV     1
  ASSI {  544}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 32   and name HA  ))
       2.600     0.900     0.900 peak   544 spectrum    1 weight  0.10000E+01 volume  0.27373E-02 ppm1      2.406 ppm2      5.129 CV     1
  ASSI {  545}
    (( segid "    " and resid 32   and name HB3 ))
    (  segid "    " and resid 54   and name HG1%)
       3.100     1.200     1.200 peak   545 spectrum    1 weight  0.10000E+01 volume  0.20803E-02 ppm1      2.408 ppm2      0.563 CV     1
  ASSI {  546}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 32   and name HB2 ))
       2.000     0.500     0.500 peak   546 spectrum    1 weight  0.10000E+01 volume  0.78242E-02 ppm1      2.410 ppm2      3.142 CV     1
  ASSI {  547}
    (( segid "    " and resid 84   and name HB3 ))
    (( segid "    " and resid 84   and name HA  ))
       2.600     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.35746E-02 ppm1      2.414 ppm2      5.428 CV     1
  ASSI {  548}
    (( segid "    " and resid 84   and name HB3 ))
    (( segid "    " and resid 84   and name HB2 ))
       1.900     0.400     0.400 peak   548 spectrum    1 weight  0.10000E+01 volume  0.12474E-01 ppm1      2.415 ppm2      2.774 CV     1
  ASSI {  549}
    (( segid "    " and resid 84   and name HB3 ))
    (( segid "    " and resid 84   and name HG3 ))
       3.000     1.100     1.100 peak   549 spectrum    1 weight  0.10000E+01 volume  0.28559E-02 ppm1      2.415 ppm2      3.135 CV     1
  ASSI {  551}
    (( segid "    " and resid 84   and name HB3 ))
    (( segid "    " and resid 84   and name HG2 ))
       2.600     0.800     0.800 peak   551 spectrum    1 weight  0.10000E+01 volume  0.29536E-02 ppm1      2.421 ppm2      3.024 CV     1
  ASSI {  552}
    (( segid "    " and resid 73   and name HG2 ))
    (( segid "    " and resid 74   and name HG3 ))
       3.300     3.300     2.700 peak   552 spectrum    1 weight  0.10000E+01 volume  0.10465E-02 ppm1      2.427 ppm2      1.441 CV     1
  ASSI {  554}
    (( segid "    " and resid 61   and name HG  ))
    (  segid "    " and resid 61   and name HD2%)
       2.000     0.500     0.500 peak   554 spectrum    1 weight  0.10000E+01 volume  0.13845E-01 ppm1      2.457 ppm2      1.198 CV     1
  ASSI {  555}
    (( segid "    " and resid 61   and name HG  ))
    (( segid "    " and resid 46   and name HB  ))
       3.600     1.600     1.600 peak   555 spectrum    1 weight  0.10000E+01 volume  0.74256E-03 ppm1      2.458 ppm2      3.644 CV     1
  ASSI {  556}
    (( segid "    " and resid 61   and name HG  ))
    (( segid "    " and resid 58   and name HB  ))
       2.800     2.800     3.200 peak   556 spectrum    1 weight  0.10000E+01 volume  0.61328E-03 ppm1      2.461 ppm2      4.326 CV     1
  ASSI {  557}
    (( segid "    " and resid 95   and name HB2 ))
    (( segid "    " and resid 95   and name HA  ))
       2.200     0.600     0.600 peak   557 spectrum    1 weight  0.10000E+01 volume  0.70893E-02 ppm1      2.463 ppm2      4.171 CV     1
  ASSI {  559}
    (  segid "    " and resid 86   and name HG1%)
    (  segid "    " and resid 86   and name HG2%)
       4.300     2.300     1.700 peak   559 spectrum    1 weight  0.10000E+01 volume  0.20066E-03 ppm1      2.466 ppm2      1.771 CV     1
  ASSI {  560}
    (( segid "    " and resid 71   and name HG  ))
    (( segid "    " and resid 68   and name HA  ))
       2.800     1.000     1.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.11620E-02 ppm1      2.480 ppm2      5.790 CV     1
  ASSI {  561}
    (  segid "    " and resid 92   and name HB% )
    (( segid "    " and resid 92   and name HA  ))
       2.600     0.900     0.900 peak   561 spectrum    1 weight  0.10000E+01 volume  0.32862E-02 ppm1      2.499 ppm2      4.226 CV     1
  ASSI {  565}
    (( segid "    " and resid 62   and name HB2 ))
    (( segid "    " and resid 62   and name HA  ))
       2.300     0.700     0.700 peak   565 spectrum    1 weight  0.10000E+01 volume  0.70604E-02 ppm1      2.512 ppm2      4.886 CV     1
  ASSI {  567}
    (( segid "    " and resid 94   and name HG2 ))
    (( segid "    " and resid 94   and name HA  ))
       2.600     0.900     0.900 peak   567 spectrum    1 weight  0.10000E+01 volume  0.32691E-02 ppm1      2.526 ppm2      4.297 CV     1
  ASSI {  568}
    (( segid "    " and resid 69   and name HB2 ))
    (( segid "    " and resid 69   and name HA  ))
       2.500     0.800     0.800 peak   568 spectrum    1 weight  0.10000E+01 volume  0.67639E-02 ppm1      2.529 ppm2      4.238 CV     1
  ASSI {  569}
    (( segid "    " and resid 38   and name HG3 ))
    (( segid "    " and resid 35   and name HA  ))
       3.200     1.300     0.900 peak   569 spectrum    1 weight  0.10000E+01 volume  0.12377E-02 ppm1      2.541 ppm2      3.924 CV     1
  OR {  569}
    (( segid "    " and resid 38   and name HG2 ))
    (( segid "    " and resid 35   and name HA  ))
  ASSI {  570}
    (( segid "    " and resid 38   and name HG2 ))
    (( segid "    " and resid 76   and name HA1 ))
       4.200     2.200     1.800 peak   570 spectrum    1 weight  0.10000E+01 volume  0.41335E-03 ppm1      2.544 ppm2      3.930 CV     1
  OR {  570}
    (( segid "    " and resid 38   and name HG3 ))
    (( segid "    " and resid 76   and name HA1 ))
  ASSI {  571}
    (( segid "    " and resid 38   and name HG2 ))
    (( segid "    " and resid 38   and name HA  ))
       2.400     0.700     0.700 peak   571 spectrum    1 weight  0.10000E+01 volume  0.53478E-02 ppm1      2.545 ppm2      4.336 CV     1
  OR {  571}
    (( segid "    " and resid 38   and name HG3 ))
    (( segid "    " and resid 38   and name HA  ))
  ASSI {  572}
    (( segid "    " and resid 99   and name HB3 ))
    (( segid "    " and resid 55   and name HB2 ))
       4.200     2.300     1.800 peak   572 spectrum    1 weight  0.10000E+01 volume  0.77653E-03 ppm1      2.550 ppm2      2.095 CV     1
  ASSI {  574}
    (( segid "    " and resid 99   and name HB3 ))
    (( segid "    " and resid 99   and name HB2 ))
       1.900     0.400     0.400 peak   574 spectrum    1 weight  0.10000E+01 volume  0.10961E-01 ppm1      2.553 ppm2      3.628 CV     1
  ASSI {  575}
    (( segid "    " and resid 38   and name HG2 ))
    (( segid "    " and resid 76   and name HA2 ))
       4.200     2.200     1.800 peak   575 spectrum    1 weight  0.10000E+01 volume  0.45345E-03 ppm1      2.553 ppm2      3.550 CV     1
  OR {  575}
    (( segid "    " and resid 38   and name HG3 ))
    (( segid "    " and resid 76   and name HA2 ))
  ASSI {  576}
    (( segid "    " and resid 62   and name HG3 ))
    (( segid "    " and resid 59   and name HG3 ))
       2.500     2.500     3.500 peak   576 spectrum    1 weight  0.10000E+01 volume  0.99424E-03 ppm1      2.556 ppm2      1.700 CV     1
  OR {  576}
    (( segid "    " and resid 62   and name HG3 ))
    (( segid "    " and resid 59   and name HG2 ))
  ASSI {  579}
    (( segid "    " and resid 38   and name HG2 ))
    (( segid "    " and resid 34   and name HG  ))
       3.000     1.100     1.100 peak   579 spectrum    1 weight  0.10000E+01 volume  0.12955E-02 ppm1      2.572 ppm2      1.667 CV     1
  ASSI {  580}
    (( segid "    " and resid 91   and name HB2 ))
    (( segid "    " and resid 91   and name HA  ))
       2.300     2.300     3.700 peak   580 spectrum    1 weight  0.10000E+01 volume  0.99378E-02 ppm1      2.573 ppm2      4.514 CV     1
  ASSI {  582}
    (( segid "    " and resid 60   and name HB3 ))
    (( segid "    " and resid 57   and name HB3 ))
       2.600     0.800     0.800 peak   582 spectrum    1 weight  0.10000E+01 volume  0.13085E-02 ppm1      2.576 ppm2      1.056 CV     1
  ASSI {  583}
    (( segid "    " and resid 60   and name HB3 ))
    (( segid "    " and resid 60   and name HA  ))
       2.500     0.800     0.800 peak   583 spectrum    1 weight  0.10000E+01 volume  0.60148E-02 ppm1      2.587 ppm2      5.167 CV     1
  ASSI {  585}
    (( segid "    " and resid 93   and name HB3 ))
    (( segid "    " and resid 93   and name HA  ))
       2.300     0.700     0.700 peak   585 spectrum    1 weight  0.10000E+01 volume  0.70965E-02 ppm1      2.591 ppm2      4.579 CV     1
  OR {  585}
    (( segid "    " and resid 93   and name HB2 ))
    (( segid "    " and resid 93   and name HA  ))
  ASSI {  586}
    (( segid "    " and resid 60   and name HB3 ))
    (( segid "    " and resid 57   and name HB2 ))
       3.500     1.500     1.500 peak   586 spectrum    1 weight  0.10000E+01 volume  0.27617E-02 ppm1      2.597 ppm2      1.670 CV     1
  ASSI {  587}
    (( segid "    " and resid 105  and name HB3 ))
    (( segid "    " and resid 33   and name HB  ))
       4.300     2.300     1.700 peak   587 spectrum    1 weight  0.10000E+01 volume  0.55767E-03 ppm1      2.600 ppm2      4.836 CV     1
  ASSI {  589}
    (( segid "    " and resid 93   and name HB3 ))
    (( segid "    " and resid 90   and name HA  ))
       2.700     2.700     3.300 peak   589 spectrum    1 weight  0.10000E+01 volume  0.49524E-02 ppm1      2.602 ppm2      4.479 CV     1
  ASSI {  590}
    (( segid "    " and resid 93   and name HB3 ))
    (( segid "    " and resid 93   and name HD2 ))
       2.300     0.700     0.700 peak   590 spectrum    1 weight  0.10000E+01 volume  0.68829E-02 ppm1      2.604 ppm2      4.106 CV     1
  OR {  590}
    (( segid "    " and resid 93   and name HB2 ))
    (( segid "    " and resid 93   and name HD2 ))
  ASSI {  591}
    (( segid "    " and resid 93   and name HB2 ))
    (( segid "    " and resid 93   and name HD3 ))
       2.500     0.800     0.800 peak   591 spectrum    1 weight  0.10000E+01 volume  0.61795E-02 ppm1      2.604 ppm2      3.811 CV     1
  OR {  591}
    (( segid "    " and resid 93   and name HB3 ))
    (( segid "    " and resid 93   and name HD3 ))
  ASSI {  593}
    (( segid "    " and resid 93   and name HB3 ))
    (( segid "    " and resid 93   and name HG3 ))
       2.200     0.600     0.600 peak   593 spectrum    1 weight  0.10000E+01 volume  0.94691E-02 ppm1      2.609 ppm2      2.795 CV     1
  OR {  593}
    (( segid "    " and resid 93   and name HB2 ))
    (( segid "    " and resid 93   and name HG3 ))
  ASSI {  598}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HA  ))
       2.700     0.900     0.900 peak   598 spectrum    1 weight  0.10000E+01 volume  0.19619E-02 ppm1      2.630 ppm2      5.690 CV     1
  ASSI {  600}
    (( segid "    " and resid 107  and name HB2 ))
    (( segid "    " and resid 107  and name HA  ))
       2.400     0.700     0.700 peak   600 spectrum    1 weight  0.10000E+01 volume  0.53634E-02 ppm1      2.642 ppm2      4.444 CV     1
  ASSI {  602}
    (( segid "    " and resid 108  and name HB3 ))
    (( segid "    " and resid 108  and name HA  ))
       2.800     1.000     1.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.27761E-02 ppm1      2.655 ppm2      4.906 CV     1
  ASSI {  603}
    (( segid "    " and resid 108  and name HB3 ))
    (  segid "    " and resid 104  and name HD2%)
       2.700     2.700     3.300 peak   603 spectrum    1 weight  0.10000E+01 volume  0.35761E-02 ppm1      2.655 ppm2      1.053 CV     1
  ASSI {  605}
    (( segid "    " and resid 71   and name HB2 ))
    (( segid "    " and resid 71   and name HA  ))
       3.000     1.100     1.100 peak   605 spectrum    1 weight  0.10000E+01 volume  0.21974E-02 ppm1      2.659 ppm2      3.160 CV     1
  ASSI {  606}
    (( segid "    " and resid 124  and name HB2 ))
    (( segid "    " and resid 124  and name HA  ))
       3.200     1.300     1.300 peak   606 spectrum    1 weight  0.10000E+01 volume  0.10764E-02 ppm1      2.668 ppm2      4.617 CV     1
  OR {  606}
    (( segid "    " and resid 124  and name HB3 ))
    (( segid "    " and resid 124  and name HA  ))
  ASSI {  608}
    (( segid "    " and resid 47   and name HB3 ))
    (( segid "    " and resid 40   and name HB3 ))
       3.800     1.800     1.800 peak   608 spectrum    1 weight  0.10000E+01 volume  0.12227E-02 ppm1      2.692 ppm2      1.854 CV     1
  ASSI {  610}
    (( segid "    " and resid 78   and name HB2 ))
    (( segid "    " and resid 78   and name HA  ))
       2.900     1.100     1.100 peak   610 spectrum    1 weight  0.10000E+01 volume  0.14682E-02 ppm1      2.698 ppm2      4.776 CV     1
  ASSI {  612}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 36   and name HG3 ))
       1.800     0.400     0.400 peak   612 spectrum    1 weight  0.10000E+01 volume  0.16386E-01 ppm1      2.701 ppm2      2.292 CV     1
  ASSI {  613}
    (( segid "    " and resid 47   and name HB3 ))
    (( segid "    " and resid 47   and name HA  ))
       2.500     0.800     0.800 peak   613 spectrum    1 weight  0.10000E+01 volume  0.31847E-02 ppm1      2.714 ppm2      6.168 CV     1
  ASSI {  614}
    (( segid "    " and resid 47   and name HB3 ))
    (( segid "    " and resid 40   and name HB2 ))
       3.800     1.800     1.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.92378E-03 ppm1      2.716 ppm2      2.301 CV     1
  ASSI {  617}
    (( segid "    " and resid 47   and name HB3 ))
    (  segid "    " and resid 37   and name HG2%)
       2.700     0.900     0.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.21616E-02 ppm1      2.717 ppm2      0.739 CV     1
  ASSI {  618}
    (( segid "    " and resid 93   and name HG3 ))
    (( segid "    " and resid 93   and name HD2 ))
       2.500     0.800     0.800 peak   618 spectrum    1 weight  0.10000E+01 volume  0.51373E-02 ppm1      2.762 ppm2      4.106 CV     1
  ASSI {  619}
    (( segid "    " and resid 84   and name HB2 ))
    (( segid "    " and resid 84   and name HA  ))
       2.500     0.800     0.800 peak   619 spectrum    1 weight  0.10000E+01 volume  0.53469E-02 ppm1      2.766 ppm2      5.428 CV     1
  ASSI {  620}
    (( segid "    " and resid 84   and name HB2 ))
    (( segid "    " and resid 84   and name HG3 ))
       2.500     0.800     0.800 peak   620 spectrum    1 weight  0.10000E+01 volume  0.34752E-02 ppm1      2.771 ppm2      3.136 CV     1
  ASSI {  621}
    (( segid "    " and resid 93   and name HG3 ))
    (( segid "    " and resid 93   and name HG2 ))
       1.900     0.500     0.500 peak   621 spectrum    1 weight  0.10000E+01 volume  0.98306E-02 ppm1      2.781 ppm2      3.063 CV     1
  ASSI {  622}
    (( segid "    " and resid 84   and name HB2 ))
    (( segid "    " and resid 84   and name HG2 ))
       2.900     1.100     1.100 peak   622 spectrum    1 weight  0.10000E+01 volume  0.32233E-02 ppm1      2.787 ppm2      3.028 CV     1
  ASSI {  624}
    (( segid "    " and resid 109  and name HD2 ))
    (( segid "    " and resid 109  and name HB3 ))
       3.200     1.300     1.300 peak   624 spectrum    1 weight  0.10000E+01 volume  0.87421E-03 ppm1      2.823 ppm2      1.130 CV     1
  ASSI {  626}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HA  ))
       3.200     1.300     1.300 peak   626 spectrum    1 weight  0.10000E+01 volume  0.15321E-02 ppm1      2.830 ppm2      5.691 CV     1
  ASSI {  627}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 106  and name HD3 ))
       3.400     1.500     1.500 peak   627 spectrum    1 weight  0.10000E+01 volume  0.73596E-03 ppm1      2.836 ppm2      1.565 CV     1
  ASSI {  628}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 106  and name HD2 ))
       4.200     2.200     1.800 peak   628 spectrum    1 weight  0.10000E+01 volume  0.63806E-03 ppm1      2.838 ppm2      2.268 CV     1
  ASSI {  629}
    (( segid "    " and resid 113  and name HB2 ))
    (( segid "    " and resid 112  and name HG  ))
       2.900     1.100     1.100 peak   629 spectrum    1 weight  0.10000E+01 volume  0.14358E-02 ppm1      2.840 ppm2      1.665 CV     1
  ASSI {  630}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 105  and name HA  ))
       3.400     1.400     1.400 peak   630 spectrum    1 weight  0.10000E+01 volume  0.20639E-02 ppm1      2.844 ppm2      3.760 CV     1
  ASSI {  631}
    (( segid "    " and resid 68   and name HB2 ))
    (( segid "    " and resid 68   and name HA  ))
       2.200     0.600     0.600 peak   631 spectrum    1 weight  0.10000E+01 volume  0.67468E-02 ppm1      2.845 ppm2      5.790 CV     1
  OR {  631}
    (( segid "    " and resid 68   and name HG3 ))
    (( segid "    " and resid 68   and name HA  ))
  OR {  631}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 68   and name HA  ))
  ASSI {  632}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 69   and name HA  ))
       3.100     1.200     1.200 peak   632 spectrum    1 weight  0.10000E+01 volume  0.14410E-02 ppm1      2.851 ppm2      4.240 CV     1
  OR {  632}
    (( segid "    " and resid 68   and name HG3 ))
    (( segid "    " and resid 69   and name HA  ))
  ASSI {  633}
    (( segid "    " and resid 60   and name HB2 ))
    (( segid "    " and resid 57   and name HB3 ))
       4.600     2.700     1.400 peak   633 spectrum    1 weight  0.10000E+01 volume  0.55284E-03 ppm1      2.853 ppm2      1.058 CV     1
  ASSI {  634}
    (( segid "    " and resid 64   and name HAC ))
    (( segid "    " and resid 82   and name HB3 ))
       2.900     1.000     1.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.17540E-02 ppm1      2.854 ppm2      1.797 CV     1
  ASSI {  640}
    (( segid "    " and resid 64   and name HAC ))
    (( segid "    " and resid 74   and name HG3 ))
       3.000     1.100     1.100 peak   640 spectrum    1 weight  0.10000E+01 volume  0.16764E-02 ppm1      2.862 ppm2      1.442 CV     1
  ASSI {  641}
    (( segid "    " and resid 60   and name HB2 ))
    (( segid "    " and resid 57   and name HA  ))
       3.100     1.200     1.200 peak   641 spectrum    1 weight  0.10000E+01 volume  0.18204E-02 ppm1      2.862 ppm2      4.282 CV     1
  ASSI {  642}
    (( segid "    " and resid 68   and name HG3 ))
    (( segid "    " and resid 61   and name HB3 ))
       2.700     0.900     0.900 peak   642 spectrum    1 weight  0.10000E+01 volume  0.26509E-02 ppm1      2.863 ppm2      2.096 CV     1
  OR {  642}
    (( segid "    " and resid 68   and name HG2 ))
    (( segid "    " and resid 61   and name HB3 ))
  ASSI {  645}
    (( segid "    " and resid 60   and name HB2 ))
    (( segid "    " and resid 60   and name HA  ))
       2.300     0.600     0.600 peak   645 spectrum    1 weight  0.10000E+01 volume  0.62664E-02 ppm1      2.866 ppm2      5.167 CV     1
  ASSI {  646}
    (( segid "    " and resid 105  and name HB2 ))
    (( segid "    " and resid 33   and name HB  ))
       4.200     2.200     1.800 peak   646 spectrum    1 weight  0.10000E+01 volume  0.46718E-03 ppm1      2.866 ppm2      4.840 CV     1
  ASSI {  647}
    (( segid "    " and resid 105  and name HB2 ))
    (( segid "    " and resid 105  and name HB3 ))
       2.000     0.500     0.500 peak   647 spectrum    1 weight  0.10000E+01 volume  0.76812E-02 ppm1      2.868 ppm2      2.589 CV     1
  ASSI {  648}
    (( segid "    " and resid 108  and name HB2 ))
    (( segid "    " and resid 108  and name HA  ))
       2.600     0.800     0.800 peak   648 spectrum    1 weight  0.10000E+01 volume  0.36954E-02 ppm1      2.871 ppm2      4.905 CV     1
  ASSI {  649}
    (( segid "    " and resid 85   and name HB3 ))
    (( segid "    " and resid 82   and name HA  ))
       2.700     0.900     0.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.24965E-02 ppm1      2.872 ppm2      4.330 CV     1
  ASSI {  650}
    (( segid "    " and resid 108  and name HB2 ))
    (  segid "    " and resid 104  and name HD2%)
       2.600     2.600     3.400 peak   650 spectrum    1 weight  0.10000E+01 volume  0.33192E-02 ppm1      2.873 ppm2      1.051 CV     1
  ASSI {  651}
    (( segid "    " and resid 85   and name HB3 ))
    (( segid "    " and resid 85   and name HA  ))
       2.600     0.800     0.800 peak   651 spectrum    1 weight  0.10000E+01 volume  0.62916E-02 ppm1      2.875 ppm2      4.867 CV     1
  ASSI {  655}
    (( segid "    " and resid 83   and name HB2 ))
    (( segid "    " and resid 83   and name HA  ))
       3.400     1.500     1.500 peak   655 spectrum    1 weight  0.10000E+01 volume  0.55910E-03 ppm1      2.900 ppm2      3.394 CV     1
  ASSI {  656}
    (( segid "    " and resid 56   and name HB2 ))
    (  segid "    " and resid 101  and name HG2%)
       2.700     0.900     0.900 peak   656 spectrum    1 weight  0.10000E+01 volume  0.40307E-02 ppm1      2.905 ppm2      0.689 CV     1
  ASSI {  658}
    (( segid "    " and resid 39   and name HE2 ))
    (( segid "    " and resid 36   and name HA  ))
       2.900     1.100     1.100 peak   658 spectrum    1 weight  0.10000E+01 volume  0.17508E-02 ppm1      2.911 ppm2      4.092 CV     1
  OR {  658}
    (( segid "    " and resid 39   and name HE3 ))
    (( segid "    " and resid 36   and name HA  ))
  ASSI {  660}
    (( segid "    " and resid 39   and name HE3 ))
    (( segid "    " and resid 39   and name HG3 ))
       3.100     1.200     1.200 peak   660 spectrum    1 weight  0.10000E+01 volume  0.12705E-02 ppm1      2.914 ppm2      1.358 CV     1
  OR {  660}
    (( segid "    " and resid 39   and name HE2 ))
    (( segid "    " and resid 39   and name HG3 ))
  ASSI {  662}
    (( segid "    " and resid 56   and name HB2 ))
    (( segid "    " and resid 56   and name HA  ))
       2.600     0.900     0.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.24064E-02 ppm1      2.915 ppm2      4.990 CV     1
  ASSI {  667}
    (( segid "    " and resid 80   and name HB  ))
    (( segid "    " and resid 79   and name HA  ))
       3.900     1.900     1.900 peak   667 spectrum    1 weight  0.10000E+01 volume  0.55670E-03 ppm1      2.935 ppm2      4.459 CV     1
  ASSI {  669}
    (( segid "    " and resid 80   and name HB  ))
    (( segid "    " and resid 50   and name HB3 ))
       3.500     1.500     1.500 peak   669 spectrum    1 weight  0.10000E+01 volume  0.71261E-03 ppm1      2.952 ppm2      0.205 CV     1
  ASSI {  671}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 76   and name HA1 ))
       3.200     1.200     1.200 peak   671 spectrum    1 weight  0.10000E+01 volume  0.81654E-03 ppm1      2.975 ppm2      3.930 CV     1
  ASSI {  672}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 41   and name HA  ))
       2.400     0.700     0.700 peak   672 spectrum    1 weight  0.10000E+01 volume  0.62496E-02 ppm1      2.978 ppm2      4.692 CV     1
  ASSI {  674}
    (( segid "    " and resid 47   and name HB2 ))
    (( segid "    " and resid 47   and name HA  ))
       2.900     1.100     1.100 peak   674 spectrum    1 weight  0.10000E+01 volume  0.21766E-02 ppm1      2.982 ppm2      6.168 CV     1
  ASSI {  676}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 38   and name HA  ))
       3.300     1.300     1.300 peak   676 spectrum    1 weight  0.10000E+01 volume  0.77136E-03 ppm1      2.986 ppm2      4.331 CV     1
  ASSI {  677}
    (( segid "    " and resid 47   and name HB2 ))
    (  segid "    " and resid 54   and name HG2%)
       3.800     1.900     1.900 peak   677 spectrum    1 weight  0.10000E+01 volume  0.92524E-03 ppm1      2.988 ppm2      0.060 CV     1
  ASSI {  678}
    (( segid "    " and resid 47   and name HB2 ))
    (( segid "    " and resid 40   and name HB3 ))
       3.200     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.11503E-02 ppm1      2.991 ppm2      1.856 CV     1
  ASSI {  679}
    (( segid "    " and resid 47   and name HB2 ))
    (  segid "    " and resid 37   and name HG2%)
       2.900     1.000     1.000 peak   679 spectrum    1 weight  0.10000E+01 volume  0.24641E-02 ppm1      2.997 ppm2      0.739 CV     1
  ASSI {  680}
    (( segid "    " and resid 47   and name HB2 ))
    (( segid "    " and resid 40   and name HB2 ))
       2.800     1.000     1.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.14316E-02 ppm1      2.998 ppm2      2.304 CV     1
  ASSI {  681}
    (( segid "    " and resid 97   and name HE2 ))
    (( segid "    " and resid 94   and name HA  ))
       2.800     1.000     1.000 peak   681 spectrum    1 weight  0.10000E+01 volume  0.21115E-02 ppm1      3.003 ppm2      4.294 CV     1
  OR {  681}
    (( segid "    " and resid 97   and name HE3 ))
    (( segid "    " and resid 94   and name HA  ))
  ASSI {  682}
    (( segid "    " and resid 97   and name HE2 ))
    (( segid "    " and resid 97   and name HD2 ))
       2.300     0.700     0.700 peak   682 spectrum    1 weight  0.10000E+01 volume  0.66531E-02 ppm1      3.020 ppm2      1.797 CV     1
  OR {  682}
    (( segid "    " and resid 97   and name HE3 ))
    (( segid "    " and resid 97   and name HD3 ))
  OR {  682}
    (( segid "    " and resid 97   and name HE2 ))
    (( segid "    " and resid 97   and name HD3 ))
  OR {  682}
    (( segid "    " and resid 97   and name HE3 ))
    (( segid "    " and resid 97   and name HD2 ))
  ASSI {  686}
    (( segid "    " and resid 85   and name HB2 ))
    (( segid "    " and resid 85   and name HA  ))
       2.400     0.700     0.700 peak   686 spectrum    1 weight  0.10000E+01 volume  0.47394E-02 ppm1      3.030 ppm2      4.865 CV     1
  ASSI {  687}
    (( segid "    " and resid 85   and name HB2 ))
    (( segid "    " and resid 82   and name HA  ))
       2.800     1.000     1.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.37869E-02 ppm1      3.033 ppm2      4.331 CV     1
  ASSI {  690}
    (( segid "    " and resid 93   and name HG2 ))
    (( segid "    " and resid 93   and name HB2 ))
       2.400     0.700     0.700 peak   690 spectrum    1 weight  0.10000E+01 volume  0.45846E-02 ppm1      3.051 ppm2      2.615 CV     1
  OR {  690}
    (( segid "    " and resid 93   and name HG2 ))
    (( segid "    " and resid 93   and name HB3 ))
  ASSI {  692}
    (( segid "    " and resid 93   and name HG2 ))
    (( segid "    " and resid 93   and name HD2 ))
       2.400     0.700     0.700 peak   692 spectrum    1 weight  0.10000E+01 volume  0.40690E-02 ppm1      3.054 ppm2      4.106 CV     1
  ASSI {  693}
    (( segid "    " and resid 93   and name HG2 ))
    (( segid "    " and resid 93   and name HD3 ))
       2.500     0.800     0.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.35509E-02 ppm1      3.055 ppm2      3.811 CV     1
  ASSI {  694}
    (( segid "    " and resid 85   and name HB2 ))
    (( segid "    " and resid 84   and name HB2 ))
       2.300     2.300     3.700 peak   694 spectrum    1 weight  0.10000E+01 volume  0.56975E-02 ppm1      3.056 ppm2      2.776 CV     1
  ASSI {  695}
    (( segid "    " and resid 93   and name HG2 ))
    (( segid "    " and resid 93   and name HA  ))
       2.900     1.000     1.000 peak   695 spectrum    1 weight  0.10000E+01 volume  0.24633E-02 ppm1      3.057 ppm2      4.578 CV     1
  ASSI {  696}
    (( segid "    " and resid 93   and name HG2 ))
    (( segid "    " and resid 90   and name HA  ))
       3.400     1.400     1.400 peak   696 spectrum    1 weight  0.10000E+01 volume  0.80066E-03 ppm1      3.057 ppm2      4.482 CV     1
  ASSI {  698}
    (( segid "    " and resid 51   and name HB3 ))
    (( segid "    " and resid 51   and name HA  ))
       2.200     0.600     0.600 peak   698 spectrum    1 weight  0.10000E+01 volume  0.88159E-02 ppm1      3.107 ppm2      3.807 CV     1
  OR {  698}
    (( segid "    " and resid 51   and name HB2 ))
    (( segid "    " and resid 51   and name HA  ))
  ASSI {  699}
    (( segid "    " and resid 84   and name HG3 ))
    (( segid "    " and resid 84   and name HA  ))
       2.900     1.100     1.100 peak   699 spectrum    1 weight  0.10000E+01 volume  0.29551E-02 ppm1      3.111 ppm2      5.423 CV     1
  ASSI {  700}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 37   and name HG13))
       3.700     1.700     1.700 peak   700 spectrum    1 weight  0.10000E+01 volume  0.97721E-03 ppm1      3.126 ppm2      0.923 CV     1
  ASSI {  701}
    (( segid "    " and resid 32   and name HB2 ))
    (  segid "    " and resid 54   and name HG1%)
       3.100     3.100     2.900 peak   701 spectrum    1 weight  0.10000E+01 volume  0.94972E-03 ppm1      3.134 ppm2      0.563 CV     1
  ASSI {  702}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 32   and name HA  ))
       2.700     0.900     0.900 peak   702 spectrum    1 weight  0.10000E+01 volume  0.35957E-02 ppm1      3.137 ppm2      5.130 CV     1
  ASSI {  705}
    (( segid "    " and resid 71   and name HA  ))
    (  segid "    " and resid 71   and name HD2%)
       3.700     1.700     1.700 peak   705 spectrum    1 weight  0.10000E+01 volume  0.33666E-03 ppm1      3.155 ppm2     -2.413 CV     1
  ASSI {  706}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 74   and name HG3 ))
       4.000     2.000     2.000 peak   706 spectrum    1 weight  0.10000E+01 volume  0.39909E-03 ppm1      3.157 ppm2      1.439 CV     1
  ASSI {  707}
    (( segid "    " and resid 59   and name HE3 ))
    (( segid "    " and resid 59   and name HG2 ))
       3.300     1.400     1.400 peak   707 spectrum    1 weight  0.10000E+01 volume  0.84260E-03 ppm1      3.160 ppm2      1.706 CV     1
  OR {  707}
    (( segid "    " and resid 59   and name HE3 ))
    (( segid "    " and resid 59   and name HG3 ))
  OR {  707}
    (( segid "    " and resid 59   and name HE2 ))
    (( segid "    " and resid 59   and name HG2 ))
  ASSI {  708}
    (( segid "    " and resid 52   and name HB3 ))
    (( segid "    " and resid 52   and name HA  ))
       2.500     0.800     0.800 peak   708 spectrum    1 weight  0.10000E+01 volume  0.41001E-02 ppm1      3.197 ppm2      3.866 CV     1
  ASSI {  711}
    (( segid "    " and resid 45   and name HB3 ))
    (( segid "    " and resid 40   and name HA  ))
       3.000     3.000     3.000 peak   711 spectrum    1 weight  0.10000E+01 volume  0.14468E-02 ppm1      3.276 ppm2      3.995 CV     1
  ASSI {  715}
    (( segid "    " and resid 72   and name HD3 ))
    (( segid "    " and resid 72   and name HB3 ))
       2.600     0.900     0.900 peak   715 spectrum    1 weight  0.10000E+01 volume  0.33603E-02 ppm1      3.355 ppm2      1.995 CV     1
  OR {  715}
    (( segid "    " and resid 72   and name HD2 ))
    (( segid "    " and resid 72   and name HB3 ))
  ASSI {  717}
    (( segid "    " and resid 72   and name HD3 ))
    (( segid "    " and resid 72   and name HB2 ))
       2.800     1.000     1.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.23331E-02 ppm1      3.362 ppm2      2.067 CV     1
  OR {  717}
    (( segid "    " and resid 72   and name HD2 ))
    (( segid "    " and resid 72   and name HB2 ))
!  ASSI {  721}
!    (  segid "    " and resid 71   and name HD1%)
!    (( segid "    " and resid 68   and name HB3 ))
!       2.800     2.800     3.200 peak   721 spectrum    1 weight  0.10000E+01 volume  0.60839E-03 ppm1      3.366 ppm2      2.775 CV     1
  ASSI {  723}
    (  segid "    " and resid 71   and name HD1%)
    (( segid "    " and resid 71   and name HB3 ))
       3.400     1.400     1.400 peak   723 spectrum    1 weight  0.10000E+01 volume  0.65519E-03 ppm1      3.388 ppm2      0.789 CV     1
  ASSI {  725}
    (( segid "    " and resid 100  and name HA  ))
    (  segid "    " and resid 100  and name HG2%)
       2.500     0.800     0.800 peak   725 spectrum    1 weight  0.10000E+01 volume  0.42882E-02 ppm1      3.458 ppm2      0.745 CV     1
  ASSI {  726}
    (( segid "    " and resid 100  and name HA  ))
    (( segid "    " and resid 55   and name HA  ))
       2.400     0.700     0.700 peak   726 spectrum    1 weight  0.10000E+01 volume  0.54356E-02 ppm1      3.458 ppm2      4.434 CV     1
  ASSI {  729}
    (( segid "    " and resid 100  and name HA  ))
    (  segid "    " and resid 100  and name HD1%)
       3.800     1.800     1.800 peak   729 spectrum    1 weight  0.10000E+01 volume  0.12082E-02 ppm1      3.469 ppm2      0.814 CV     1
  ASSI {  733}
    (( segid "    " and resid 96   and name HB3 ))
    (( segid "    " and resid 96   and name HA  ))
       2.300     0.600     0.600 peak   733 spectrum    1 weight  0.10000E+01 volume  0.54568E-02 ppm1      3.534 ppm2      3.891 CV     1
  ASSI {  734}
    (( segid "    " and resid 76   and name HA2 ))
    (( segid "    " and resid 38   and name HA  ))
       3.200     1.300     1.300 peak   734 spectrum    1 weight  0.10000E+01 volume  0.24867E-02 ppm1      3.552 ppm2      4.336 CV     1
  ASSI {  735}
    (( segid "    " and resid 77   and name HA2 ))
    (( segid "    " and resid 77   and name HA1 ))
       1.800     0.400     0.400 peak   735 spectrum    1 weight  0.10000E+01 volume  0.14052E-01 ppm1      3.563 ppm2      4.228 CV     1
  ASSI {  737}
    (( segid "    " and resid 98   and name HB  ))
    (  segid "    " and resid 98   and name HG2%)
       2.300     0.700     0.700 peak   737 spectrum    1 weight  0.10000E+01 volume  0.73789E-02 ppm1      3.569 ppm2      0.911 CV     1
  ASSI {  738}
    (( segid "    " and resid 76   and name HA2 ))
    (( segid "    " and resid 41   and name HB2 ))
       3.400     1.400     1.400 peak   738 spectrum    1 weight  0.10000E+01 volume  0.11073E-02 ppm1      3.579 ppm2      2.263 CV     1
  ASSI {  739}
    (( segid "    " and resid 77   and name HA2 ))
    (  segid "    " and resid 49   and name HD1%)
       2.500     2.500     3.500 peak   739 spectrum    1 weight  0.10000E+01 volume  0.56455E-02 ppm1      3.585 ppm2      0.739 CV     1
  ASSI {  740}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 37   and name HB  ))
       3.300     1.300     1.300 peak   740 spectrum    1 weight  0.10000E+01 volume  0.83049E-03 ppm1      3.600 ppm2      1.843 CV     1
  ASSI {  742}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 40   and name HB2 ))
       3.500     1.500     1.500 peak   742 spectrum    1 weight  0.10000E+01 volume  0.40824E-03 ppm1      3.602 ppm2      2.294 CV     1
  ASSI {  743}
    (( segid "    " and resid 46   and name HB  ))
    (  segid "    " and resid 57   and name HD2%)
       2.700     2.700     3.300 peak   743 spectrum    1 weight  0.10000E+01 volume  0.31243E-02 ppm1      3.616 ppm2     -0.059 CV     1
  ASSI {  746}
    (( segid "    " and resid 99   and name HB2 ))
    (( segid "    " and resid 55   and name HB3 ))
       3.400     1.500     1.500 peak   746 spectrum    1 weight  0.10000E+01 volume  0.10021E-02 ppm1      3.627 ppm2      1.885 CV     1
  ASSI {  747}
    (( segid "    " and resid 46   and name HB  ))
    (( segid "    " and resid 57   and name HB3 ))
       4.400     2.400     1.600 peak   747 spectrum    1 weight  0.10000E+01 volume  0.48347E-03 ppm1      3.632 ppm2      1.059 CV     1
  ASSI {  752}
    (( segid "    " and resid 46   and name HB  ))
    (  segid "    " and resid 61   and name HD2%)
       2.700     2.700     3.300 peak   752 spectrum    1 weight  0.10000E+01 volume  0.26763E-02 ppm1      3.661 ppm2      1.201 CV     1
  ASSI {  753}
    (( segid "    " and resid 115  and name HD3 ))
    (( segid "    " and resid 115  and name HG3 ))
       2.600     0.800     0.800 peak   753 spectrum    1 weight  0.10000E+01 volume  0.26031E-02 ppm1      3.664 ppm2      2.071 CV     1
  ASSI {  754}
    (( segid "    " and resid 106  and name HA  ))
    (( segid "    " and resid 109  and name HB3 ))
       3.400     1.500     1.500 peak   754 spectrum    1 weight  0.10000E+01 volume  0.69050E-03 ppm1      3.680 ppm2      1.135 CV     1
  ASSI {  755}
    (( segid "    " and resid 106  and name HA  ))
    (( segid "    " and resid 108  and name HB2 ))
       3.300     3.300     2.700 peak   755 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      3.682 ppm2      2.834 CV     1
  ASSI {  758}
    (( segid "    " and resid 116  and name HD3 ))
    (( segid "    " and resid 115  and name HA  ))
       2.400     0.800     0.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.37922E-02 ppm1      3.700 ppm2      4.737 CV     1
  ASSI {  760}
    (( segid "    " and resid 106  and name HA  ))
    (( segid "    " and resid 106  and name HG3 ))
       3.100     1.200     1.200 peak   760 spectrum    1 weight  0.10000E+01 volume  0.14598E-02 ppm1      3.707 ppm2      1.390 CV     1
  ASSI {  761}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 58   and name HB  ))
       2.300     0.600     0.600 peak   761 spectrum    1 weight  0.10000E+01 volume  0.74885E-02 ppm1      3.708 ppm2      4.326 CV     1
  ASSI {  763}
    (( segid "    " and resid 105  and name HA  ))
    (( segid "    " and resid 105  and name HB2 ))
       3.100     1.200     1.200 peak   763 spectrum    1 weight  0.10000E+01 volume  0.87950E-03 ppm1      3.742 ppm2      2.882 CV     1
  ASSI {  767}
    (( segid "    " and resid 105  and name HA  ))
    (( segid "    " and resid 105  and name HB3 ))
       3.000     1.100     1.100 peak   767 spectrum    1 weight  0.10000E+01 volume  0.12550E-02 ppm1      3.755 ppm2      2.586 CV     1
  ASSI {  770}
    (( segid "    " and resid 75   and name HA  ))
    (( segid "    " and resid 74   and name HA  ))
       3.500     1.600     1.600 peak   770 spectrum    1 weight  0.10000E+01 volume  0.69255E-03 ppm1      3.760 ppm2      4.186 CV     1
  ASSI {  771}
    (( segid "    " and resid 75   and name HA  ))
    (( segid "    " and resid 48   and name HB3 ))
       3.200     1.300     1.300 peak   771 spectrum    1 weight  0.10000E+01 volume  0.66593E-03 ppm1      3.764 ppm2      0.745 CV     1
  ASSI {  780}
    (( segid "    " and resid 93   and name HD3 ))
    (( segid "    " and resid 93   and name HG3 ))
       2.700     0.900     0.900 peak   780 spectrum    1 weight  0.10000E+01 volume  0.19444E-02 ppm1      3.810 ppm2      2.793 CV     1
  ASSI {  781}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 72   and name HG2 ))
       2.400     0.700     0.700 peak   781 spectrum    1 weight  0.10000E+01 volume  0.38728E-02 ppm1      3.828 ppm2      1.968 CV     1
  ASSI {  786}
    (( segid "    " and resid 116  and name HD2 ))
    (( segid "    " and resid 115  and name HA  ))
       2.500     0.800     0.800 peak   786 spectrum    1 weight  0.10000E+01 volume  0.49589E-02 ppm1      3.841 ppm2      4.735 CV     1
  ASSI {  787}
    (( segid "    " and resid 52   and name HA  ))
    (( segid "    " and resid 104  and name HB3 ))
       3.400     1.500     1.500 peak   787 spectrum    1 weight  0.10000E+01 volume  0.67157E-03 ppm1      3.848 ppm2      1.002 CV     1
  ASSI {  788}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 72   and name HB2 ))
       2.800     1.000     1.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.34332E-02 ppm1      3.848 ppm2      2.067 CV     1
  ASSI {  789}
    (( segid "    " and resid 96   and name HB2 ))
    (( segid "    " and resid 100  and name HA  ))
       3.900     1.900     1.900 peak   789 spectrum    1 weight  0.10000E+01 volume  0.52936E-03 ppm1      3.850 ppm2      3.463 CV     1
  ASSI {  791}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 72   and name HD3 ))
       3.400     1.400     1.400 peak   791 spectrum    1 weight  0.10000E+01 volume  0.22322E-02 ppm1      3.853 ppm2      3.369 CV     1
  OR {  791}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 72   and name HD2 ))
  ASSI {  792}
    (( segid "    " and resid 52   and name HA  ))
    (( segid "    " and resid 52   and name HB2 ))
       2.600     0.900     0.900 peak   792 spectrum    1 weight  0.10000E+01 volume  0.41381E-02 ppm1      3.855 ppm2      3.665 CV     1
  ASSI {  793}
    (( segid "    " and resid 52   and name HA  ))
    (  segid "    " and resid 49   and name HG2%)
       2.600     0.900     0.900 peak   793 spectrum    1 weight  0.10000E+01 volume  0.33494E-02 ppm1      3.861 ppm2      0.672 CV     1
  ASSI {  794}
    (( segid "    " and resid 96   and name HB2 ))
    (( segid "    " and resid 93   and name HA  ))
       3.100     3.100     2.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.25662E-02 ppm1      3.864 ppm2      4.579 CV     1
  ASSI {  796}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 80   and name HB  ))
       2.800     1.000     1.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.17459E-02 ppm1      3.873 ppm2      2.939 CV     1
  ASSI {  797}
    (( segid "    " and resid 115  and name HD2 ))
    (( segid "    " and resid 114  and name HA  ))
       2.500     2.500     3.500 peak   797 spectrum    1 weight  0.10000E+01 volume  0.42250E-02 ppm1      3.875 ppm2      4.636 CV     1
  ASSI {  799}
    (( segid "    " and resid 98   and name HA  ))
    (( segid "    " and resid 98   and name HB  ))
       2.400     0.700     0.700 peak   799 spectrum    1 weight  0.10000E+01 volume  0.61870E-02 ppm1      3.885 ppm2      3.571 CV     1
!  ASSI {  804}
!    (( segid "    " and resid 35   and name HA  ))
!    (( segid "    " and resid 33   and name HB  ))
!       4.300     2.300     1.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.46681E-03 ppm1      3.934 ppm2      4.839 CV     1
  ASSI {  805}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HB3 ))
       2.300     0.600     0.600 peak   805 spectrum    1 weight  0.10000E+01 volume  0.81654E-02 ppm1      3.935 ppm2      1.895 CV     1
  OR {  805}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HB2 ))
  ASSI {  808}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 84   and name HB2 ))
       3.100     1.200     1.200 peak   808 spectrum    1 weight  0.10000E+01 volume  0.11847E-02 ppm1      3.936 ppm2      2.776 CV     1
  ASSI {  809}
    (( segid "    " and resid 25   and name HA  ))
    (( segid "    " and resid 24   and name HB2 ))
       3.000     1.100     1.100 peak   809 spectrum    1 weight  0.10000E+01 volume  0.48393E-02 ppm1      3.942 ppm2      2.012 CV     1
  ASSI {  810}
    (( segid "    " and resid 35   and name HA  ))
    (( segid "    " and resid 35   and name HG3 ))
       2.800     1.000     1.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.34681E-02 ppm1      3.945 ppm2      2.217 CV     1
  ASSI {  812}
    (( segid "    " and resid 34   and name HA  ))
    (  segid "    " and resid 37   and name HD1%)
       2.600     2.600     3.400 peak   812 spectrum    1 weight  0.10000E+01 volume  0.34214E-02 ppm1      3.955 ppm2      0.741 CV     1
  ASSI {  813}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HB2 ))
       2.600     0.900     0.900 peak   813 spectrum    1 weight  0.10000E+01 volume  0.22468E-02 ppm1      3.956 ppm2      1.670 CV     1
  ASSI {  815}
    (( segid "    " and resid 34   and name HA  ))
    (  segid "    " and resid 104  and name HD2%)
       3.200     1.300     1.300 peak   815 spectrum    1 weight  0.10000E+01 volume  0.15681E-02 ppm1      3.960 ppm2      1.050 CV     1
  ASSI {  816}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 37   and name HB  ))
       2.500     0.800     0.800 peak   816 spectrum    1 weight  0.10000E+01 volume  0.32775E-02 ppm1      3.964 ppm2      1.845 CV     1
  ASSI {  818}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 73   and name HG3 ))
       2.400     0.700     0.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.50321E-02 ppm1      3.982 ppm2      2.290 CV     1
  ASSI {  821}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HG  ))
       3.100     1.200     1.200 peak   821 spectrum    1 weight  0.10000E+01 volume  0.12187E-02 ppm1      3.990 ppm2      1.677 CV     1
  ASSI {  822}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 73   and name HG2 ))
       3.200     1.300     1.300 peak   822 spectrum    1 weight  0.10000E+01 volume  0.17067E-02 ppm1      4.006 ppm2      2.405 CV     1
  ASSI {  824}
    (( segid "    " and resid 97   and name HA  ))
    (  segid "    " and resid 100  and name HD1%)
       2.200     0.600     0.600 peak   824 spectrum    1 weight  0.10000E+01 volume  0.76336E-02 ppm1      4.035 ppm2      0.814 CV     1
  ASSI {  826}
    (( segid "    " and resid 65   and name HA  ))
    (( segid "    " and resid 65   and name HG3 ))
       3.100     1.200     1.200 peak   826 spectrum    1 weight  0.10000E+01 volume  0.17175E-02 ppm1      4.038 ppm2     -0.307 CV     1
  ASSI {  829}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HG3 ))
       2.900     1.100     1.100 peak   829 spectrum    1 weight  0.10000E+01 volume  0.21374E-02 ppm1      4.040 ppm2      1.362 CV     1
  ASSI {  830}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HG2 ))
       2.800     1.000     1.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.22941E-02 ppm1      4.041 ppm2      1.608 CV     1
  ASSI {  835}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 30   and name HG3 ))
       2.900     1.100     1.100 peak   835 spectrum    1 weight  0.10000E+01 volume  0.16121E-02 ppm1      4.053 ppm2      1.087 CV     1
  ASSI {  836}
    (( segid "    " and resid 97   and name HA  ))
    (( segid "    " and resid 97   and name HB2 ))
       2.700     0.900     0.900 peak   836 spectrum    1 weight  0.10000E+01 volume  0.44797E-02 ppm1      4.059 ppm2      1.940 CV     1
  ASSI {  841}
    (( segid "    " and resid 109  and name HA  ))
    (( segid "    " and resid 109  and name HB3 ))
       3.300     1.400     1.400 peak   841 spectrum    1 weight  0.10000E+01 volume  0.93356E-03 ppm1      4.070 ppm2      1.119 CV     1
  ASSI {  845}
    (( segid "    " and resid 54   and name HA  ))
    (  segid "    " and resid 49   and name HG2%)
       3.000     3.000     3.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.18067E-02 ppm1      4.074 ppm2      0.676 CV     1
  ASSI {  846}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 49   and name HG13))
       4.000     2.000     2.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.42144E-03 ppm1      4.076 ppm2      0.529 CV     1
  ASSI {  849}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HG2 ))
       3.300     1.300     1.300 peak   849 spectrum    1 weight  0.10000E+01 volume  0.17206E-02 ppm1      4.082 ppm2      2.720 CV     1
  ASSI {  851}
    (( segid "    " and resid 93   and name HD2 ))
    (( segid "    " and resid 93   and name HB2 ))
       3.000     1.200     1.200 peak   851 spectrum    1 weight  0.10000E+01 volume  0.16572E-02 ppm1      4.096 ppm2      2.567 CV     1
  ASSI {  856}
    (( segid "    " and resid 70   and name HA  ))
    (  segid "    " and resid 70   and name HG2%)
       3.200     1.300     1.300 peak   856 spectrum    1 weight  0.10000E+01 volume  0.11529E-02 ppm1      4.099 ppm2      1.476 CV     1
  ASSI {  861}
    (( segid "    " and resid 95   and name HA  ))
    (( segid "    " and resid 95   and name HG2 ))
       2.700     0.900     0.900 peak   861 spectrum    1 weight  0.10000E+01 volume  0.33569E-02 ppm1      4.185 ppm2      2.617 CV     1
  OR {  861}
    (( segid "    " and resid 95   and name HA  ))
    (( segid "    " and resid 95   and name HG3 ))
  ASSI {  864}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 27   and name HB2 ))
       2.500     0.800     0.800 peak   864 spectrum    1 weight  0.10000E+01 volume  0.40061E-02 ppm1      4.213 ppm2      2.012 CV     1
  ASSI {  866}
    (( segid "    " and resid 69   and name HA  ))
    (( segid "    " and resid 72   and name HD2 ))
       2.800     1.000     1.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.21135E-02 ppm1      4.216 ppm2      3.367 CV     1
  OR {  866}
    (( segid "    " and resid 69   and name HA  ))
    (( segid "    " and resid 72   and name HD3 ))
  ASSI {  870}
    (( segid "    " and resid 69   and name HA  ))
    (( segid "    " and resid 68   and name HG2 ))
       3.200     1.300     1.300 peak   870 spectrum    1 weight  0.10000E+01 volume  0.86001E-03 ppm1      4.231 ppm2      2.886 CV     1
  ASSI {  873}
    (( segid "    " and resid 57   and name HA  ))
    (  segid "    " and resid 57   and name HD1%)
       2.900     1.100     1.100 peak   873 spectrum    1 weight  0.10000E+01 volume  0.15610E-02 ppm1      4.264 ppm2      0.973 CV     1
  ASSI {  876}
    (( segid "    " and resid 57   and name HA  ))
    (  segid "    " and resid 57   and name HD2%)
       2.300     0.600     0.600 peak   876 spectrum    1 weight  0.10000E+01 volume  0.97419E-02 ppm1      4.268 ppm2     -0.059 CV     1
  ASSI {  879}
    (( segid "    " and resid 94   and name HA  ))
    (( segid "    " and resid 94   and name HG3 ))
       3.100     1.200     1.200 peak   879 spectrum    1 weight  0.10000E+01 volume  0.21091E-02 ppm1      4.270 ppm2      2.466 CV     1
  ASSI {  884}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 41   and name HA  ))
       2.900     1.100     1.100 peak   884 spectrum    1 weight  0.10000E+01 volume  0.15289E-02 ppm1      4.282 ppm2      4.694 CV     1
  ASSI {  892}
    (( segid "    " and resid 82   and name HA  ))
    (( segid "    " and resid 82   and name HB3 ))
       2.900     1.000     1.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.28383E-02 ppm1      4.322 ppm2      1.795 CV     1
  ASSI {  894}
    (( segid "    " and resid 119  and name HA  ))
    (  segid "    " and resid 119  and name HD2%)
       2.400     0.700     0.700 peak   894 spectrum    1 weight  0.10000E+01 volume  0.67621E-02 ppm1      4.322 ppm2      0.872 CV     1
  ASSI {  897}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 76   and name HA1 ))
       2.600     0.800     0.800 peak   897 spectrum    1 weight  0.10000E+01 volume  0.33678E-02 ppm1      4.326 ppm2      3.928 CV     1
  ASSI {  904}
    (( segid "    " and resid 65   and name HD2 ))
    (( segid "    " and resid 65   and name HG3 ))
       3.900     1.900     1.900 peak   904 spectrum    1 weight  0.10000E+01 volume  0.59569E-03 ppm1      4.405 ppm2     -0.308 CV     1
  ASSI {  905}
    (( segid "    " and resid 65   and name HD2 ))
    (( segid "    " and resid 65   and name HG2 ))
       3.000     1.100     1.100 peak   905 spectrum    1 weight  0.10000E+01 volume  0.95040E-03 ppm1      4.405 ppm2      1.370 CV     1
  ASSI {  907}
    (( segid "    " and resid 86   and name HA  ))
    (  segid "    " and resid 86   and name HG2%)
       3.400     1.400     1.400 peak   907 spectrum    1 weight  0.10000E+01 volume  0.86624E-03 ppm1      4.423 ppm2      1.768 CV     1
  ASSI {  912}
    (( segid "    " and resid 55   and name HA  ))
    (( segid "    " and resid 100  and name HG13))
       4.300     2.300     1.700 peak   912 spectrum    1 weight  0.10000E+01 volume  0.30952E-03 ppm1      4.431 ppm2     -0.222 CV     1
  ASSI {  915}
    (( segid "    " and resid 48   and name HA  ))
    (  segid "    " and resid 48   and name HD2%)
       3.600     1.600     1.600 peak   915 spectrum    1 weight  0.10000E+01 volume  0.82909E-03 ppm1      4.461 ppm2      0.818 CV     1
  ASSI {  916}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 75   and name HA  ))
       3.800     1.800     1.800 peak   916 spectrum    1 weight  0.10000E+01 volume  0.75352E-03 ppm1      4.463 ppm2      3.772 CV     1
  ASSI {  919}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 49   and name HG13))
       3.600     1.600     1.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.36919E-03 ppm1      4.471 ppm2      0.528 CV     1
  ASSI {  922}
    (( segid "    " and resid 90   and name HB  ))
    (  segid "    " and resid 90   and name HG2%)
       2.000     2.000     4.000 peak   922 spectrum    1 weight  0.10000E+01 volume  0.16296E-01 ppm1      4.473 ppm2      1.593 CV     1
  ASSI {  923}
    (( segid "    " and resid 116  and name HA  ))
    (( segid "    " and resid 116  and name HG3 ))
       3.400     1.400     1.400 peak   923 spectrum    1 weight  0.10000E+01 volume  0.14938E-02 ppm1      4.478 ppm2      2.094 CV     1
  OR {  923}
    (( segid "    " and resid 116  and name HA  ))
    (( segid "    " and resid 116  and name HG2 ))
  ASSI {  927}
    (( segid "    " and resid 90   and name HA  ))
    (( segid "    " and resid 93   and name HD2 ))
       2.800     1.000     1.000 peak   927 spectrum    1 weight  0.10000E+01 volume  0.26303E-02 ppm1      4.483 ppm2      4.106 CV     1
  ASSI {  938}
    (( segid "    " and resid 101  and name HA  ))
    (  segid "    " and resid 101  and name HG2%)
       2.300     0.700     0.700 peak   938 spectrum    1 weight  0.10000E+01 volume  0.65799E-02 ppm1      4.553 ppm2      0.690 CV     1
  ASSI {  939}
    (( segid "    " and resid 59   and name HA  ))
    (( segid "    " and resid 59   and name HD3 ))
       2.700     0.900     0.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.20397E-02 ppm1      4.554 ppm2      1.900 CV     1
  ASSI {  940}
    (( segid "    " and resid 59   and name HA  ))
    (  segid "    " and resid 61   and name HD1%)
       3.700     1.700     1.700 peak   940 spectrum    1 weight  0.10000E+01 volume  0.44915E-03 ppm1      4.554 ppm2      1.286 CV     1
  ASSI {  947}
    (( segid "    " and resid 104  and name HA  ))
    (( segid "    " and resid 104  and name HB2 ))
       2.900     1.000     1.000 peak   947 spectrum    1 weight  0.10000E+01 volume  0.14858E-02 ppm1      4.574 ppm2      1.697 CV     1
  ASSI {  948}
    (( segid "    " and resid 104  and name HA  ))
    (  segid "    " and resid 104  and name HD2%)
       2.500     2.500     3.500 peak   948 spectrum    1 weight  0.10000E+01 volume  0.72313E-02 ppm1      4.575 ppm2      1.050 CV     1
  ASSI {  949}
    (( segid "    " and resid 104  and name HA  ))
    (( segid "    " and resid 104  and name HB3 ))
       2.900     1.100     1.100 peak   949 spectrum    1 weight  0.10000E+01 volume  0.23628E-02 ppm1      4.576 ppm2      1.002 CV     1
  ASSI {  950}
    (( segid "    " and resid 104  and name HA  ))
    (( segid "    " and resid 104  and name HG  ))
       3.500     1.500     1.500 peak   950 spectrum    1 weight  0.10000E+01 volume  0.66145E-03 ppm1      4.577 ppm2      1.826 CV     1
  ASSI {  951}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 105  and name HB3 ))
       4.000     2.000     2.000 peak   951 spectrum    1 weight  0.10000E+01 volume  0.13260E-02 ppm1      4.578 ppm2      2.588 CV     1
  ASSI {  952}
    (( segid "    " and resid 33   and name HA  ))
    (  segid "    " and resid 33   and name HG2%)
       2.300     0.600     0.600 peak   952 spectrum    1 weight  0.10000E+01 volume  0.72142E-02 ppm1      4.581 ppm2      1.207 CV     1
  ASSI {  954}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 105  and name HB2 ))
       2.900     1.100     1.100 peak   954 spectrum    1 weight  0.10000E+01 volume  0.10231E-02 ppm1      4.585 ppm2      2.889 CV     1
  ASSI {  955}
    (( segid "    " and resid 114  and name HA  ))
    (( segid "    " and resid 114  and name HB3 ))
       3.200     1.300     1.300 peak   955 spectrum    1 weight  0.10000E+01 volume  0.10211E-02 ppm1      4.633 ppm2      1.740 CV     1
  OR {  955}
    (( segid "    " and resid 114  and name HA  ))
    (( segid "    " and resid 114  and name HB2 ))
  ASSI {  956}
    (( segid "    " and resid 114  and name HA  ))
    (( segid "    " and resid 115  and name HD3 ))
       2.600     0.800     0.800 peak   956 spectrum    1 weight  0.10000E+01 volume  0.38822E-02 ppm1      4.633 ppm2      3.656 CV     1
  ASSI {  958}
    (( segid "    " and resid 113  and name HA  ))
    (( segid "    " and resid 113  and name HB3 ))
       3.000     1.100     1.100 peak   958 spectrum    1 weight  0.10000E+01 volume  0.21269E-02 ppm1      4.650 ppm2      2.754 CV     1
  ASSI {  959}
    (( segid "    " and resid 113  and name HA  ))
    (( segid "    " and resid 113  and name HB2 ))
       2.900     1.000     1.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.18556E-02 ppm1      4.657 ppm2      2.854 CV     1
  ASSI {  965}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 76   and name HA1 ))
       3.700     1.700     1.700 peak   965 spectrum    1 weight  0.10000E+01 volume  0.59273E-03 ppm1      4.688 ppm2      3.931 CV     1
  ASSI {  970}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 103  and name HB3 ))
       4.600     2.600     1.400 peak   970 spectrum    1 weight  0.10000E+01 volume  0.44732E-03 ppm1      4.733 ppm2      1.730 CV     1
  ASSI {  971}
    (( segid "    " and resid 53   and name HA  ))
    (  segid "    " and resid 54   and name HG1%)
       3.700     1.700     1.700 peak   971 spectrum    1 weight  0.10000E+01 volume  0.12743E-02 ppm1      4.734 ppm2      0.564 CV     1
  ASSI {  972}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 53   and name HB3 ))
       2.700     0.900     0.900 peak   972 spectrum    1 weight  0.10000E+01 volume  0.19220E-02 ppm1      4.739 ppm2      1.369 CV     1
  ASSI {  974}
    (( segid "    " and resid 53   and name HA  ))
    (( segid "    " and resid 53   and name HB2 ))
       3.100     1.200     1.200 peak   974 spectrum    1 weight  0.10000E+01 volume  0.13458E-02 ppm1      4.746 ppm2      2.117 CV     1
  ASSI {  981}
    (( segid "    " and resid 61   and name HA  ))
    (( segid "    " and resid 61   and name HB2 ))
       2.800     1.000     1.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.31480E-02 ppm1      4.759 ppm2      2.379 CV     1
  ASSI {  982}
    (( segid "    " and resid 78   and name HA  ))
    (( segid "    " and resid 49   and name HG13))
       4.100     2.100     1.900 peak   982 spectrum    1 weight  0.10000E+01 volume  0.44405E-03 ppm1      4.764 ppm2      0.529 CV     1
  ASSI {  983}
    (( segid "    " and resid 78   and name HA  ))
    (( segid "    " and resid 49   and name HB  ))
       2.400     0.700     0.700 peak   983 spectrum    1 weight  0.10000E+01 volume  0.49268E-02 ppm1      4.768 ppm2      1.394 CV     1
  ASSI {  984}
    (( segid "    " and resid 78   and name HA  ))
    (  segid "    " and resid 49   and name HD1%)
       3.200     3.200     2.800 peak   984 spectrum    1 weight  0.10000E+01 volume  0.16572E-02 ppm1      4.770 ppm2      0.750 CV     1
  ASSI {  987}
    (( segid "    " and resid 61   and name HA  ))
    (( segid "    " and resid 68   and name HA  ))
       3.600     1.600     0.600 peak   987 spectrum    1 weight  0.10000E+01 volume  0.85272E-03 ppm1      4.773 ppm2      5.792 CV     1
  ASSI {  992}
    (( segid "    " and resid 63   and name HA  ))
    (( segid "    " and resid 63   and name HB2 ))
       2.700     0.900     0.900 peak   992 spectrum    1 weight  0.10000E+01 volume  0.29053E-02 ppm1      4.866 ppm2      2.508 CV     1
  ASSI { 1000}
    (( segid "    " and resid 56   and name HA  ))
    (  segid "    " and resid 101  and name HD1%)
       3.700     1.700     1.700 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.67804E-03 ppm1      4.978 ppm2     -1.162 CV     1
  ASSI { 1003}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 49   and name HG13))
       3.000     1.100     1.100 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.13081E-02 ppm1      4.987 ppm2      0.529 CV     1
  ASSI { 1005}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 49   and name HB  ))
       3.200     1.300     1.300 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.84668E-03 ppm1      4.988 ppm2      1.395 CV     1
  ASSI { 1008}
    (( segid "    " and resid 49   and name HA  ))
    (  segid "    " and resid 49   and name HD1%)
       3.600     1.600     1.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.10770E-02 ppm1      5.002 ppm2      0.745 CV     1
  ASSI { 1013}
    (( segid "    " and resid 103  and name HA  ))
    (( segid "    " and resid 103  and name HB2 ))
       2.600     0.900     0.900 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.22171E-02 ppm1      5.112 ppm2      2.169 CV     1
  ASSI { 1019}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 62   and name HG3 ))
       3.600     1.700     1.700 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.69779E-03 ppm1      5.158 ppm2      2.587 CV     1
  ASSI { 1021}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 63   and name HB2 ))
       3.000     1.100     1.100 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.11785E-02 ppm1      5.162 ppm2      2.509 CV     1
  ASSI { 1024}
    (( segid "    " and resid 84   and name HA  ))
    (( segid "    " and resid 84   and name HG2 ))
       3.200     1.300     1.300 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.11457E-02 ppm1      5.423 ppm2      3.028 CV     1
  ASSI { 1025}
    (( segid "    " and resid 67   and name HA1 ))
    (  segid "    " and resid 70   and name HG2%)
       4.200     2.200     1.800 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.45115E-03 ppm1      5.650 ppm2      1.479 CV     1
  ASSI { 1026}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 105  and name HA  ))
       4.500     2.500     1.500 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.40033E-03 ppm1      5.690 ppm2      3.757 CV     1
  ASSI { 1029}
    (( segid "    " and resid 47   and name HH2 ))
    (( segid "    " and resid 37   and name HG13))
       4.500     2.600     1.500 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.38694E-03 ppm1      5.761 ppm2      0.954 CV     1
  ASSI { 1030}
    (( segid "    " and resid 47   and name HH2 ))
    (  segid "    " and resid 101  and name HD1%)
       3.700     1.800     1.800 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.41310E-03 ppm1      5.762 ppm2     -1.158 CV     1
  ASSI { 1031}
    (( segid "    " and resid 47   and name HH2 ))
    (( segid "    " and resid 32   and name HB2 ))
       4.300     2.300     1.700 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.47596E-03 ppm1      5.763 ppm2      3.139 CV     1
  ASSI { 1032}
    (( segid "    " and resid 47   and name HH2 ))
    (( segid "    " and resid 37   and name HA  ))
       2.600     2.600     3.400 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.88710E-03 ppm1      5.764 ppm2      3.625 CV     1
  ASSI { 1035}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 68   and name HB3 ))
       2.700     0.900     0.900 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.37140E-02 ppm1      5.775 ppm2      2.781 CV     1
  ASSI { 1036}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 68   and name HG2 ))
       2.900     1.000     1.000 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.29857E-02 ppm1      5.775 ppm2      2.881 CV     1
  ASSI { 1037}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 68   and name HB2 ))
       2.400     0.700     0.700 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.40737E-02 ppm1      5.776 ppm2      2.879 CV     1
  ASSI { 1043}
    (( segid "    " and resid 47   and name HA  ))
    (  segid "    " and resid 54   and name HG2%)
       4.200     2.200     1.800 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.32081E-03 ppm1      6.159 ppm2      0.059 CV     1
  ASSI { 1047}
    (  segid "    " and resid 55   and name HE% )
    (( segid "    " and resid 53   and name HB2 ))
       2.300     0.700     0.700 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.40186E-02 ppm1      6.475 ppm2      2.119 CV     1
  ASSI { 1048}
    (  segid "    " and resid 55   and name HE% )
    (( segid "    " and resid 53   and name HB3 ))
       2.900     1.000     1.000 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.24799E-02 ppm1      6.475 ppm2      1.369 CV     1
  ASSI { 1049}
    (  segid "    " and resid 55   and name HE% )
    (  segid "    " and resid 100  and name HD1%)
       2.900     2.900     3.100 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.25736E-02 ppm1      6.477 ppm2      0.813 CV     1
  ASSI { 1051}
    (  segid "    " and resid 55   and name HE% )
    (( segid "    " and resid 96   and name HB3 ))
       4.000     2.000     2.000 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.16588E-02 ppm1      6.478 ppm2      3.545 CV     1
  ASSI { 1053}
    (  segid "    " and resid 55   and name HE% )
    (( segid "    " and resid 50   and name HG  ))
       3.300     1.400     1.400 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.16907E-02 ppm1      6.481 ppm2     -1.944 CV     1
  ASSI { 1054}
    (  segid "    " and resid 55   and name HE% )
    (( segid "    " and resid 100  and name HG12))
       2.700     2.700     3.300 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.18683E-02 ppm1      6.481 ppm2      1.315 CV     1
  ASSI { 1055}
    (  segid "    " and resid 55   and name HE% )
    (( segid "    " and resid 100  and name HG13))
       2.800     2.800     3.200 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.15580E-02 ppm1      6.484 ppm2     -0.223 CV     1
  ASSI { 1056}
    (  segid "    " and resid 55   and name HE% )
    (  segid "    " and resid 50   and name HD2%)
       4.000     2.000     2.000 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.67151E-03 ppm1      6.486 ppm2     -0.764 CV     1
  ASSI { 1059}
    (  segid "    " and resid 32   and name HE% )
    (( segid "    " and resid 102  and name HA1 ))
       4.100     2.100     1.900 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.15856E-02 ppm1      6.516 ppm2      4.396 CV     1
  ASSI { 1061}
    (  segid "    " and resid 32   and name HE% )
    (( segid "    " and resid 101  and name HB  ))
       3.200     1.300     1.300 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.93717E-03 ppm1      6.520 ppm2      1.770 CV     1
  ASSI { 1062}
    (  segid "    " and resid 32   and name HE% )
    (( segid "    " and resid 101  and name HG13))
       3.400     1.500     1.500 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.51896E-03 ppm1      6.522 ppm2     -0.079 CV     1
  ASSI { 1063}
    (  segid "    " and resid 32   and name HE% )
    (( segid "    " and resid 101  and name HG12))
       3.900     1.900     1.900 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.87555E-03 ppm1      6.525 ppm2      0.172 CV     1
  ASSI { 1064}
    (  segid "    " and resid 32   and name HE% )
    (( segid "    " and resid 32   and name HB3 ))
       4.300     2.300     1.700 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.47157E-03 ppm1      6.532 ppm2      2.424 CV     1
  ASSI { 1065}
    (  segid "    " and resid 32   and name HE% )
    (( segid "    " and resid 30   and name HB3 ))
       3.200     1.300     1.300 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.90289E-03 ppm1      6.538 ppm2      1.605 CV     1
  OR { 1065}
    (  segid "    " and resid 32   and name HE% )
    (( segid "    " and resid 30   and name HB2 ))
  ASSI { 1066}
    (  segid "    " and resid 32   and name HE% )
    (( segid "    " and resid 32   and name HB2 ))
       4.200     2.200     1.800 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.45778E-03 ppm1      6.544 ppm2      3.143 CV     1
  ASSI { 1069}
    (( segid "    " and resid 47   and name HE3 ))
    (( segid "    " and resid 37   and name HG12))
       3.100     1.200     1.200 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.82386E-03 ppm1      6.565 ppm2      2.048 CV     1
  ASSI { 1070}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 100  and name HA  ))
       3.100     1.200     1.200 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.10046E-02 ppm1      6.568 ppm2      3.466 CV     1
  ASSI { 1072}
    (( segid "    " and resid 47   and name HE3 ))
    (( segid "    " and resid 37   and name HG13))
       3.900     1.900     1.900 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.93088E-03 ppm1      6.575 ppm2      0.956 CV     1
  ASSI { 1073}
    (( segid "    " and resid 47   and name HE3 ))
    (  segid "    " and resid 37   and name HG2%)
       2.500     0.800     0.800 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.30940E-02 ppm1      6.582 ppm2      0.738 CV     1
  ASSI { 1075}
    (( segid "    " and resid 47   and name HE3 ))
    (( segid "    " and resid 37   and name HA  ))
       2.500     0.800     0.800 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.26336E-02 ppm1      6.583 ppm2      3.624 CV     1
  ASSI { 1076}
    (  segid "    " and resid 31   and name HE% )
    (  segid "    " and resid 29   and name HG2%)
       2.400     2.400     3.600 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.12619E-02 ppm1      6.586 ppm2      0.353 CV     1
  ASSI { 1079}
    (  segid "    " and resid 31   and name HE% )
    (( segid "    " and resid 106  and name HD2 ))
       4.000     2.000     2.000 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.66363E-03 ppm1      6.589 ppm2      2.268 CV     1
  ASSI { 1080}
    (  segid "    " and resid 31   and name HE% )
    (( segid "    " and resid 31   and name HA  ))
       3.900     1.900     1.900 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.88165E-03 ppm1      6.590 ppm2      5.691 CV     1
  ASSI { 1081}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 48   and name HG  ))
       3.300     1.300     1.300 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.81078E-03 ppm1      6.591 ppm2     -0.451 CV     1
  ASSI { 1082}
    (  segid "    " and resid 31   and name HE% )
    (( segid "    " and resid 105  and name HA  ))
       4.200     2.200     1.800 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.42742E-03 ppm1      6.591 ppm2      3.758 CV     1
  ASSI { 1083}
    (  segid "    " and resid 31   and name HE% )
    (( segid "    " and resid 106  and name HD3 ))
       3.700     1.700     1.700 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.45934E-03 ppm1      6.594 ppm2      1.563 CV     1
  ASSI { 1084}
    (( segid "    " and resid 47   and name HE3 ))
    (( segid "    " and resid 47   and name HB3 ))
       3.300     1.300     1.300 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.77261E-03 ppm1      6.596 ppm2      2.732 CV     1
  ASSI { 1088}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 99   and name HB2 ))
       2.500     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.23587E-02 ppm1      6.596 ppm2      3.628 CV     1
  ASSI { 1090}
    (  segid "    " and resid 31   and name HE% )
    (( segid "    " and resid 103  and name HB3 ))
       3.200     1.300     1.300 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.10317E-02 ppm1      6.599 ppm2      1.727 CV     1
  ASSI { 1091}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 99   and name HA  ))
       4.500     2.500     1.500 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.42929E-03 ppm1      6.604 ppm2      4.780 CV     1
  ASSI { 1093}
    (( segid "    " and resid 47   and name HZ2 ))
    (( segid "    " and resid 40   and name HB2 ))
       3.800     3.800     2.200 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.33974E-03 ppm1      6.624 ppm2      2.308 CV     1
  ASSI { 1096}
    (( segid "    " and resid 47   and name HD1 ))
    (( segid "    " and resid 56   and name HB3 ))
       4.100     2.100     1.900 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.64831E-03 ppm1      6.727 ppm2      1.800 CV     1
  ASSI { 1097}
    (  segid "    " and resid 31   and name HD% )
    (( segid "    " and resid 103  and name HB2 ))
       4.200     2.200     1.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.96289E-03 ppm1      6.827 ppm2      2.168 CV     1
  ASSI { 1100}
    (( segid "    " and resid 40   and name HD1 ))
    (( segid "    " and resid 40   and name HB2 ))
       3.300     1.400     1.400 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.62402E-03 ppm1      6.832 ppm2      2.303 CV     1
  ASSI { 1102}
    (  segid "    " and resid 99   and name HE% )
    (( segid "    " and resid 98   and name HB  ))
       3.500     1.500     1.500 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.58666E-03 ppm1      6.839 ppm2      3.573 CV     1
  ASSI { 1103}
    (  segid "    " and resid 31   and name HD% )
    (( segid "    " and resid 106  and name HD3 ))
       3.500     1.500     1.500 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.48932E-03 ppm1      6.841 ppm2      1.564 CV     1
  ASSI { 1104}
    (( segid "    " and resid 40   and name HD1 ))
    (( segid "    " and resid 37   and name HA  ))
       2.800     1.000     1.000 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.21801E-02 ppm1      6.843 ppm2      3.624 CV     1
  ASSI { 1105}
    (  segid "    " and resid 31   and name HD% )
    (( segid "    " and resid 106  and name HD2 ))
       4.000     2.000     2.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.71874E-03 ppm1      6.844 ppm2      2.268 CV     1
  ASSI { 1106}
    (( segid "    " and resid 40   and name HD1 ))
    (( segid "    " and resid 40   and name HB3 ))
       4.000     2.000     2.000 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.51713E-03 ppm1      6.847 ppm2      1.853 CV     1
  ASSI { 1110}
    (  segid "    " and resid 32   and name HD% )
    (  segid "    " and resid 101  and name HD1%)
       3.500     1.600     1.600 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.63458E-03 ppm1      6.853 ppm2     -1.162 CV     1
  ASSI { 1111}
    (  segid "    " and resid 99   and name HE% )
    (( segid "    " and resid 96   and name HA  ))
       3.600     1.600     1.600 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.10075E-02 ppm1      6.860 ppm2      3.897 CV     1
  ASSI { 1112}
    (  segid "    " and resid 32   and name HD% )
    (( segid "    " and resid 36   and name HG2 ))
       3.000     1.100     1.100 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.12891E-02 ppm1      6.863 ppm2      2.715 CV     1
  ASSI { 1113}
    (  segid "    " and resid 32   and name HD% )
    (  segid "    " and resid 54   and name HG2%)
       3.300     3.300     2.700 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.10121E-02 ppm1      6.864 ppm2      0.061 CV     1
  ASSI { 1115}
    (  segid "    " and resid 32   and name HD% )
    (( segid "    " and resid 102  and name HA1 ))
       4.300     2.300     1.700 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.78927E-03 ppm1      6.866 ppm2      4.394 CV     1
  ASSI { 1117}
    (  segid "    " and resid 32   and name HD% )
    (  segid "    " and resid 54   and name HG1%)
       2.700     2.700     3.300 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.24209E-02 ppm1      6.870 ppm2      0.564 CV     1
  ASSI { 1120}
    (  segid "    " and resid 32   and name HD% )
    (( segid "    " and resid 32   and name HA  ))
       2.700     0.900     0.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.29813E-02 ppm1      6.874 ppm2      5.129 CV     1
  ASSI { 1122}
    (  segid "    " and resid 32   and name HD% )
    (( segid "    " and resid 102  and name HA2 ))
       3.600     1.700     1.700 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.43897E-03 ppm1      6.881 ppm2      4.049 CV     1
  ASSI { 1123}
    (( segid "    " and resid 105  and name HD2 ))
    (( segid "    " and resid 105  and name HB3 ))
       3.500     1.600     1.600 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.84930E-03 ppm1      6.960 ppm2      2.598 CV     1
  ASSI { 1124}
    (( segid "    " and resid 105  and name HD2 ))
    (( segid "    " and resid 105  and name HB2 ))
       3.500     1.500     1.500 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.57271E-03 ppm1      6.970 ppm2      2.874 CV     1
  ASSI { 1125}
    (( segid "    " and resid 51   and name HD2 ))
    (( segid "    " and resid 50   and name HB2 ))
       4.600     2.600     1.400 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.47332E-03 ppm1      6.975 ppm2      1.267 CV     1
  ASSI { 1126}
    (( segid "    " and resid 51   and name HD2 ))
    (( segid "    " and resid 50   and name HB3 ))
       3.200     1.300     1.300 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.73895E-03 ppm1      6.978 ppm2      0.208 CV     1
  ASSI { 1129}
    (( segid "    " and resid 51   and name HD2 ))
    (( segid "    " and resid 50   and name HG  ))
       4.600     2.700     1.400 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.29680E-03 ppm1      6.990 ppm2     -1.953 CV     1
  ASSI { 1130}
    (  segid "    " and resid 99   and name HD% )
    (( segid "    " and resid 57   and name HA  ))
       3.400     1.400     1.400 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.57520E-03 ppm1      7.048 ppm2      4.282 CV     1
  ASSI { 1131}
    (  segid "    " and resid 99   and name HD% )
    (  segid "    " and resid 57   and name HD2%)
       2.300     2.300     3.700 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.20371E-02 ppm1      7.061 ppm2     -0.058 CV     1
  ASSI { 1136}
    (  segid "    " and resid 99   and name HD% )
    (( segid "    " and resid 96   and name HB3 ))
       5.100     3.200     0.900 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.34634E-03 ppm1      7.066 ppm2      3.552 CV     1
  ASSI { 1137}
    (  segid "    " and resid 99   and name HD% )
    (( segid "    " and resid 98   and name HB  ))
       3.400     1.500     1.500 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.66718E-03 ppm1      7.066 ppm2      3.573 CV     1
  ASSI { 1139}
    (( segid "    " and resid 99   and name HZ  ))
    (( segid "    " and resid 60   and name HA  ))
       2.900     2.900     3.100 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.45759E-03 ppm1      7.167 ppm2      5.170 CV     1
  ASSI { 1142}
    (  segid "    " and resid 60   and name HD% )
    (( segid "    " and resid 61   and name HA  ))
       3.700     1.700     1.700 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.44171E-03 ppm1      7.515 ppm2      4.774 CV     1
  ASSI { 1143}
    (  segid "    " and resid 60   and name HD% )
    (( segid "    " and resid 57   and name HB3 ))
       3.300     1.400     1.400 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.81891E-03 ppm1      7.526 ppm2      1.057 CV     1
  ASSI { 1144}
    (  segid "    " and resid 60   and name HD% )
    (( segid "    " and resid 63   and name HG3 ))
       3.500     1.600     1.600 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.74845E-03 ppm1      7.530 ppm2      2.665 CV     1
  OR { 1144}
    (  segid "    " and resid 60   and name HD% )
    (( segid "    " and resid 63   and name HG2 ))
  ASSI { 1147}
    (  segid "    " and resid 60   and name HD% )
    (( segid "    " and resid 57   and name HG  ))
       3.100     1.200     1.200 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.15469E-02 ppm1      7.532 ppm2     -0.473 CV     1
  ASSI { 1149}
    (  segid "    " and resid 60   and name HD% )
    (( segid "    " and resid 57   and name HB2 ))
       3.800     1.800     1.800 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.14973E-02 ppm1      7.534 ppm2      1.682 CV     1
  ASSI { 1152}
    (( segid "    " and resid 40   and name HD2 ))
    (( segid "    " and resid 45   and name HB3 ))
       3.300     1.400     1.400 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.95498E-03 ppm1      7.536 ppm2      3.283 CV     1
  ASSI { 1153}
    (  segid "    " and resid 60   and name HD% )
    (( segid "    " and resid 63   and name HB2 ))
       3.200     1.300     1.300 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.86409E-03 ppm1      7.538 ppm2      2.508 CV     1
  ASSI { 1156}
    (( segid "    " and resid 40   and name HD2 ))
    (( segid "    " and resid 45   and name HB2 ))
       3.400     1.500     1.500 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.76598E-03 ppm1      7.548 ppm2      3.893 CV     1
  ASSI { 1157}
    (( segid "    " and resid 64   and name HHC ))
    (( segid "    " and resid 50   and name HG  ))
       3.300     3.300     2.700 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.10941E-02 ppm1      8.525 ppm2     -1.943 CV     1
  ASSI { 1158}
    (( segid "    " and resid 64   and name HHC ))
    (  segid "    " and resid 57   and name HD2%)
       2.400     2.400     3.600 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.14233E-02 ppm1      8.530 ppm2     -0.060 CV     1
  ASSI { 1159}
    (( segid "    " and resid 64   and name HBB2))
    (( segid "    " and resid 50   and name HG  ))
       3.100     1.200     1.200 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.12550E-02 ppm1     11.283 ppm2     -1.944 CV     1
  ASSI { 1160}
    (( segid "    " and resid 64   and name HBB2))
    (  segid "    " and resid 57   and name HD2%)
       3.500     3.500     2.500 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.10215E-02 ppm1     11.288 ppm2     -0.054 CV     1
  ASSI { 1161}
    (( segid "    " and resid 64   and name HBB2))
    (( segid "    " and resid 96   and name HB3 ))
       4.200     2.200     1.800 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.44629E-03 ppm1     11.289 ppm2      3.548 CV     1
  ASSI { 1162}
    (( segid "    " and resid 64   and name HBB2))
    (( segid "    " and resid 96   and name HA  ))
       3.800     3.800     2.200 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.61898E-03 ppm1     11.290 ppm2      3.896 CV     1
  ASSI { 1163}
    (( segid "    " and resid 64   and name HBB2))
    (( segid "    " and resid 57   and name HG  ))
       3.100     3.100     2.900 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.31554E-03 ppm1     11.293 ppm2     -0.472 CV     1
  ASSI { 1164}
    (( segid "    " and resid 64   and name HAB ))
    (( segid "    " and resid 55   and name HB3 ))
       4.000     2.000     2.000 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.34410E-03 ppm1     11.452 ppm2      1.894 CV     1
  ASSI { 1165}
    (( segid "    " and resid 64   and name HAB ))
    (( segid "    " and resid 50   and name HG  ))
       3.200     3.200     2.800 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.20462E-02 ppm1     11.460 ppm2     -1.944 CV     1
  ASSI { 1166}
    (( segid "    " and resid 64   and name HAB ))
    (( segid "    " and resid 55   and name HB2 ))
       4.300     2.400     1.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.29545E-03 ppm1     11.460 ppm2      2.096 CV     1
  ASSI { 1167}
    (( segid "    " and resid 64   and name HAB ))
    (  segid "    " and resid 57   and name HD2%)
       2.600     0.900     0.900 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.30200E-02 ppm1     11.461 ppm2     -0.059 CV     1
  ASSI { 1168}
    (( segid "    " and resid 64   and name HAB ))
    (( segid "    " and resid 57   and name HG  ))
       3.600     1.600     1.600 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.99870E-03 ppm1     11.465 ppm2     -0.473 CV     1
  ASSI { 1169}
    (( segid "    " and resid 64   and name HAB ))
    (( segid "    " and resid 99   and name HB3 ))
       4.100     2.100     1.900 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.26274E-03 ppm1     11.468 ppm2      2.565 CV     1
  ASSI { 1170}
    (( segid "    " and resid 64   and name HAB ))
    (( segid "    " and resid 99   and name HB2 ))
       4.300     2.300     1.700 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.23529E-03 ppm1     11.469 ppm2      3.628 CV     1
  ASSI { 1171}
    (( segid "    " and resid 64   and name HHB ))
    (( segid "    " and resid 96   and name HB3 ))
       3.100     1.200     1.200 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.11535E-02 ppm1     11.585 ppm2      3.547 CV     1
  ASSI { 1172}
    (( segid "    " and resid 64   and name HHB ))
    (( segid "    " and resid 95   and name HB2 ))
       4.100     2.100     1.900 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.68203E-03 ppm1     11.597 ppm2      2.460 CV     1
  ASSI { 1173}
    (( segid "    " and resid 64   and name HHB ))
    (( segid "    " and resid 96   and name HA  ))
       2.800     2.800     3.200 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.27762E-02 ppm1     11.598 ppm2      3.893 CV     1
  ASSI { 1174}
    (( segid "    " and resid 64   and name HHB ))
    (( segid "    " and resid 95   and name HG3 ))
       3.200     1.300     1.300 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.15304E-02 ppm1     11.601 ppm2      2.618 CV     1
  ASSI { 1175}
    (( segid "    " and resid 64   and name HHB ))
    (( segid "    " and resid 92   and name HA  ))
       3.300     1.400     1.400 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.82644E-03 ppm1     11.602 ppm2      4.227 CV     1
  ASSI { 1176}
    (( segid "    " and resid 64   and name HHB ))
    (( segid "    " and resid 96   and name HB2 ))
       3.500     3.500     2.500 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.16123E-02 ppm1     11.603 ppm2      3.853 CV     1
  ASSI { 1177}
    (( segid "    " and resid 64   and name HHB ))
    (( segid "    " and resid 95   and name HB3 ))
       3.100     1.200     1.200 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.10619E-02 ppm1     11.608 ppm2      2.237 CV     1
  ASSI {    3}
    (( segid "    " and resid 105  and name HA  ))
    (  segid "    " and resid 31   and name HD% )
       3.300     1.400     1.400 peak     3 spectrum    2 weight  0.10000E+01 volume  0.21684E-02 ppm1      3.763 ppm2      6.840 CV     1
  ASSI {    6}
    (( segid "    " and resid 96   and name HA  ))
    (  segid "    " and resid 55   and name HE% )
       3.500     1.500     1.500 peak     6 spectrum    2 weight  0.10000E+01 volume  0.21761E-02 ppm1      3.882 ppm2      6.480 CV     1
  ASSI {   13}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 105  and name HD2 ))
       2.800     2.800     3.200 peak    13 spectrum    2 weight  0.10000E+01 volume  0.32713E-02 ppm1      1.198 ppm2      6.969 CV     1
  ASSI {   14}
    (  segid "    " and resid 29   and name HG2%)
    (  segid "    " and resid 31   and name HD% )
       3.400     1.400     1.400 peak    14 spectrum    2 weight  0.10000E+01 volume  0.22557E-02 ppm1      0.344 ppm2      6.840 CV     1
  ASSI {   17}
    (( segid "    " and resid 31   and name HB3 ))
    (  segid "    " and resid 31   and name HD% )
       2.900     1.000     1.000 peak    17 spectrum    2 weight  0.10000E+01 volume  0.25889E-02 ppm1      2.636 ppm2      6.838 CV     1
  ASSI {   18}
    (  segid "    " and resid 31   and name HE% )
    (  segid "    " and resid 31   and name HD% )
       1.800     0.400     0.400 peak    18 spectrum    2 weight  0.10000E+01 volume  0.27667E-01 ppm1      6.593 ppm2      6.838 CV     1
  ASSI {   20}
    (( segid "    " and resid 32   and name HA  ))
    (  segid "    " and resid 32   and name HE% )
       3.600     1.600     1.600 peak    20 spectrum    2 weight  0.10000E+01 volume  0.13160E-02 ppm1      5.121 ppm2      6.523 CV     1
  ASSI {   26}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 42   and name HD2 ))
       4.300     2.300     1.700 peak    26 spectrum    2 weight  0.10000E+01 volume  0.11271E-02 ppm1      5.131 ppm2      7.263 CV     1
  ASSI {   27}
    (( segid "    " and resid 42   and name HB2 ))
    (( segid "    " and resid 42   and name HD2 ))
       3.300     1.300     1.300 peak    27 spectrum    2 weight  0.10000E+01 volume  0.33345E-02 ppm1      3.317 ppm2      7.261 CV     1
  ASSI {   29}
    (( segid "    " and resid 44   and name HA  ))
    (( segid "    " and resid 42   and name HE1 ))
       4.400     2.400     1.600 peak    29 spectrum    2 weight  0.10000E+01 volume  0.13489E-02 ppm1      4.568 ppm2      7.544 CV     1
  ASSI {   30}
    (( segid "    " and resid 44   and name HB2 ))
    (( segid "    " and resid 42   and name HE1 ))
       2.200     0.600     0.600 peak    30 spectrum    2 weight  0.10000E+01 volume  0.66989E-02 ppm1      2.162 ppm2      7.537 CV     1
  ASSI {   31}
    (( segid "    " and resid 44   and name HB3 ))
    (( segid "    " and resid 42   and name HE1 ))
       2.700     0.900     0.900 peak    31 spectrum    2 weight  0.10000E+01 volume  0.10234E-01 ppm1      1.899 ppm2      7.538 CV     1
  ASSI {   33}
    (( segid "    " and resid 47   and name HE3 ))
    (( segid "    " and resid 47   and name HH2 ))
       3.600     1.700     1.700 peak    33 spectrum    2 weight  0.10000E+01 volume  0.16392E-02 ppm1      6.592 ppm2      5.760 CV     1
  ASSI {   34}
    (( segid "    " and resid 47   and name HH2 ))
    (  segid "    " and resid 32   and name HE% )
       3.200     1.300     1.300 peak    34 spectrum    2 weight  0.10000E+01 volume  0.12642E-02 ppm1      5.746 ppm2      6.520 CV     1
  ASSI {   36}
    (( segid "    " and resid 47   and name HH2 ))
    (( segid "    " and resid 47   and name HZ2 ))
       3.500     1.600     1.600 peak    36 spectrum    2 weight  0.10000E+01 volume  0.84808E-03 ppm1      5.745 ppm2      6.622 CV     1
  ASSI {   38}
    (( segid "    " and resid 47   and name HZ2 ))
    (( segid "    " and resid 47   and name HZ3 ))
       3.000     1.200     1.200 peak    38 spectrum    2 weight  0.10000E+01 volume  0.71018E-02 ppm1      6.625 ppm2      6.375 CV     1
  ASSI {   43}
    (( segid "    " and resid 51   and name HB3 ))
    (( segid "    " and resid 51   and name HD2 ))
       3.300     1.400     1.400 peak    43 spectrum    2 weight  0.10000E+01 volume  0.25678E-02 ppm1      3.126 ppm2      7.017 CV     1
  ASSI {   44}
    (( segid "    " and resid 52   and name HA  ))
    (( segid "    " and resid 52   and name HD2 ))
       2.800     1.000     1.000 peak    44 spectrum    2 weight  0.10000E+01 volume  0.36745E-02 ppm1      3.868 ppm2      6.853 CV     1
  ASSI {   45}
    (( segid "    " and resid 45   and name HB2 ))
    (( segid "    " and resid 42   and name HE1 ))
       3.000     1.100     1.100 peak    45 spectrum    2 weight  0.10000E+01 volume  0.19772E-02 ppm1      3.877 ppm2      7.541 CV     1
  ASSI {   46}
    (( segid "    " and resid 52   and name HB2 ))
    (( segid "    " and resid 52   and name HD2 ))
       3.300     1.400     1.400 peak    46 spectrum    2 weight  0.10000E+01 volume  0.21343E-02 ppm1      3.673 ppm2      6.856 CV     1
  ASSI {   47}
    (( segid "    " and resid 52   and name HB3 ))
    (( segid "    " and resid 52   and name HD2 ))
       3.200     1.300     1.300 peak    47 spectrum    2 weight  0.10000E+01 volume  0.15243E-02 ppm1      3.182 ppm2      6.854 CV     1
  ASSI {   50}
    (  segid "    " and resid 55   and name HD% )
    (  segid "    " and resid 55   and name HE% )
       1.900     0.500     0.500 peak    50 spectrum    2 weight  0.10000E+01 volume  0.13143E-01 ppm1      6.595 ppm2      6.481 CV     1
  ASSI {   52}
    (( segid "    " and resid 56   and name HB2 ))
    (( segid "    " and resid 47   and name HD1 ))
       3.300     1.400     1.400 peak    52 spectrum    2 weight  0.10000E+01 volume  0.10503E-02 ppm1      2.927 ppm2      6.714 CV     1
  ASSI {   71}
    (( segid "    " and resid 102  and name HA2 ))
    (  segid "    " and resid 32   and name HE% )
       2.500     0.800     0.800 peak    71 spectrum    2 weight  0.10000E+01 volume  0.27176E-02 ppm1      4.032 ppm2      6.515 CV     1
  ASSI {   72}
    (( segid "    " and resid 103  and name HB2 ))
    (  segid "    " and resid 31   and name HE% )
       3.200     1.300     1.300 peak    72 spectrum    2 weight  0.10000E+01 volume  0.41151E-02 ppm1      2.177 ppm2      6.591 CV     1
  OR {   72}
    (( segid "    " and resid 103  and name HG3 ))
    (  segid "    " and resid 31   and name HE% )
  ASSI {   74}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 105  and name HD2 ))
       2.700     0.900     0.900 peak    74 spectrum    2 weight  0.10000E+01 volume  0.50340E-02 ppm1      2.842 ppm2      6.969 CV     1
  ASSI {   78}
    (( segid "    " and resid 45   and name HB3 ))
    (( segid "    " and resid 42   and name HE1 ))
       3.100     1.200     1.200 peak    78 spectrum    2 weight  0.10000E+01 volume  0.17727E-02 ppm1      3.284 ppm2      7.548 CV     1
  ASSI {    5}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 37   and name HA  ))
       2.400     0.700     0.700 peak     5 spectrum    3 weight  0.10000E+01 volume  0.85923E-02 ppm1      0.728 ppm2      3.607 CV     1
  ASSI {    7}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 48   and name HB3 ))
       2.400     0.700     0.700 peak     7 spectrum    3 weight  0.10000E+01 volume  0.60957E-02 ppm1      4.473 ppm2      0.730 CV     1
  ASSI {   15}
    (( segid "    " and resid 119  and name HG  ))
    (  segid "    " and resid 119  and name HD1%)
       2.200     0.600     0.600 peak    15 spectrum    3 weight  0.10000E+01 volume  0.13180E-01 ppm1      1.699 ppm2      0.943 CV     1
  OR {   15}
    (( segid "    " and resid 119  and name HB2 ))
    (  segid "    " and resid 119  and name HD1%)
  OR {   15}
    (( segid "    " and resid 119  and name HB3 ))
    (  segid "    " and resid 119  and name HD1%)
  ASSI {   25}
    (( segid "    " and resid 53   and name HG2 ))
    (( segid "    " and resid 100  and name HB  ))
       2.400     2.400     3.600 peak    25 spectrum    3 weight  0.10000E+01 volume  0.24798E-01 ppm1      1.600 ppm2      1.446 CV     1
  ASSI {   27}
    (  segid "    " and resid 104  and name HD2%)
    (( segid "    " and resid 104  and name HG  ))
       2.300     0.700     0.700 peak    27 spectrum    3 weight  0.10000E+01 volume  0.68007E-02 ppm1      1.039 ppm2      1.810 CV     1
  ASSI {   29}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 37   and name HB  ))
       2.100     0.500     0.500 peak    29 spectrum    3 weight  0.10000E+01 volume  0.14315E-01 ppm1      0.728 ppm2      1.828 CV     1
  OR {   29}
    (  segid "    " and resid 37   and name HD1%)
    (( segid "    " and resid 37   and name HB  ))
  ASSI {   40}
    (( segid "    " and resid 116  and name HB2 ))
    (( segid "    " and resid 116  and name HB3 ))
       2.200     0.600     0.600 peak    40 spectrum    3 weight  0.10000E+01 volume  0.48400E-02 ppm1      2.330 ppm2      1.969 CV     1
  ASSI {   42}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 40   and name HB2 ))
       1.900     0.400     0.400 peak    42 spectrum    3 weight  0.10000E+01 volume  0.10733E-01 ppm1      1.852 ppm2      2.289 CV     1
  ASSI {   46}
    (( segid "    " and resid 36   and name HA  ))
    (( segid "    " and resid 36   and name HB2 ))
       2.400     0.700     0.700 peak    46 spectrum    3 weight  0.10000E+01 volume  0.68147E-02 ppm1      4.084 ppm2      2.396 CV     1
  ASSI {   48}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 73   and name HB3 ))
       2.800     1.000     1.000 peak    48 spectrum    3 weight  0.10000E+01 volume  0.54269E-02 ppm1      3.987 ppm2      1.999 CV     1
  ASSI {   52}
    (( segid "    " and resid 61   and name HG  ))
    (( segid "    " and resid 62   and name HG3 ))
       2.700     2.700     3.300 peak    52 spectrum    3 weight  0.10000E+01 volume  0.24565E-01 ppm1      2.452 ppm2      2.555 CV     1
  ASSI {   56}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 47   and name HD1 ))
       2.000     0.500     0.500 peak    56 spectrum    3 weight  0.10000E+01 volume  0.15762E-01 ppm1      4.980 ppm2      6.721 CV     1
  ASSI {   59}
    (( segid "    " and resid 93   and name HD3 ))
    (( segid "    " and resid 90   and name HA  ))
       2.200     0.600     0.600 peak    59 spectrum    3 weight  0.10000E+01 volume  0.10296E-01 ppm1      3.797 ppm2      4.466 CV     1
  ASSI {   60}
    (( segid "    " and resid 85   and name HB2 ))
    (( segid "    " and resid 85   and name HB3 ))
       1.800     0.400     0.400 peak    60 spectrum    3 weight  0.10000E+01 volume  0.15603E-01 ppm1      3.040 ppm2      2.883 CV     1
  ASSI {   64}
    (( segid "    " and resid 47   and name HB3 ))
    (( segid "    " and resid 47   and name HB2 ))
       1.900     0.400     0.400 peak    64 spectrum    3 weight  0.10000E+01 volume  0.97316E-02 ppm1      2.717 ppm2      2.982 CV     1
  ASSI {   67}
    (( segid "    " and resid 60   and name HB3 ))
    (( segid "    " and resid 57   and name HA  ))
       2.400     0.700     0.700 peak    67 spectrum    3 weight  0.10000E+01 volume  0.49396E-02 ppm1      2.577 ppm2      4.274 CV     1
  ASSI {   68}
    (( segid "    " and resid 94   and name HG2 ))
    (( segid "    " and resid 91   and name HA  ))
       2.500     0.800     0.800 peak    68 spectrum    3 weight  0.10000E+01 volume  0.10380E-01 ppm1      2.536 ppm2      4.501 CV     1
  ASSI {   70}
    (( segid "    " and resid 61   and name HG  ))
    (( segid "    " and resid 61   and name HA  ))
       2.900     1.000     1.000 peak    70 spectrum    3 weight  0.10000E+01 volume  0.45028E-02 ppm1      2.475 ppm2      4.762 CV     1
!  ASSI {   72}
!    (( segid "    " and resid 71   and name HG  ))
!    (( segid "    " and resid 68   and name HG3 ))
!       2.800     1.000     1.000 peak    72 spectrum    3 weight  0.10000E+01 volume  0.96248E-02 ppm1      2.461 ppm2      2.838 CV     1
!  OR {   72}
!    (( segid "    " and resid 71   and name HG  ))
!    (( segid "    " and resid 68   and name HB2 ))
  ASSI {   75}
    (( segid "    " and resid 94   and name HB2 ))
    (( segid "    " and resid 94   and name HA  ))
       2.600     0.800     0.800 peak    75 spectrum    3 weight  0.10000E+01 volume  0.74471E-02 ppm1      2.320 ppm2      4.279 CV     1
  ASSI {   78}
    (( segid "    " and resid 78   and name HB3 ))
    (( segid "    " and resid 78   and name HB2 ))
       1.800     0.400     0.400 peak    78 spectrum    3 weight  0.10000E+01 volume  0.20594E-01 ppm1      2.265 ppm2      2.701 CV     1
  ASSI {   79}
    (( segid "    " and resid 103  and name HG2 ))
    (( segid "    " and resid 103  and name HA  ))
       3.000     1.200     1.200 peak    79 spectrum    3 weight  0.10000E+01 volume  0.40724E-02 ppm1      2.249 ppm2      5.107 CV     1
  ASSI {   89}
    (( segid "    " and resid 73   and name HB2 ))
    (( segid "    " and resid 73   and name HA  ))
       2.300     0.700     0.700 peak    89 spectrum    3 weight  0.10000E+01 volume  0.89432E-02 ppm1      1.912 ppm2      3.986 CV     1
  ASSI {   95}
    (( segid "    " and resid 119  and name HB3 ))
    (( segid "    " and resid 119  and name HA  ))
       2.500     0.800     0.800 peak    95 spectrum    3 weight  0.10000E+01 volume  0.67627E-02 ppm1      1.700 ppm2      4.311 CV     1
  OR {   95}
    (( segid "    " and resid 119  and name HB2 ))
    (( segid "    " and resid 119  and name HA  ))
  OR {   95}
    (( segid "    " and resid 119  and name HG  ))
    (( segid "    " and resid 119  and name HA  ))
  ASSI {   96}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 34   and name HA  ))
       2.300     0.700     0.700 peak    96 spectrum    3 weight  0.10000E+01 volume  0.72279E-02 ppm1      1.662 ppm2      3.958 CV     1
  OR {   96}
    (( segid "    " and resid 34   and name HG  ))
    (( segid "    " and resid 34   and name HA  ))
  ASSI {   97}
    (( segid "    " and resid 53   and name HD3 ))
    (( segid "    " and resid 53   and name HE3 ))
       2.600     0.800     0.800 peak    97 spectrum    3 weight  0.10000E+01 volume  0.47139E-02 ppm1      1.635 ppm2      3.045 CV     1
  OR {   97}
    (( segid "    " and resid 53   and name HD2 ))
    (( segid "    " and resid 53   and name HE2 ))
  OR {   97}
    (( segid "    " and resid 53   and name HD3 ))
    (( segid "    " and resid 53   and name HE2 ))
  OR {   97}
    (( segid "    " and resid 53   and name HD2 ))
    (( segid "    " and resid 53   and name HE3 ))
  ASSI {  100}
    (( segid "    " and resid 44   and name HG2 ))
    (( segid "    " and resid 44   and name HA  ))
       2.700     0.900     0.900 peak   100 spectrum    3 weight  0.10000E+01 volume  0.47684E-02 ppm1      1.536 ppm2      4.540 CV     1
  ASSI {  104}
    (  segid "    " and resid 58   and name HG2%)
    (( segid "    " and resid 59   and name HA  ))
       2.900     2.900     3.100 peak   104 spectrum    3 weight  0.10000E+01 volume  0.48431E-02 ppm1      1.342 ppm2      4.543 CV     1
  ASSI {  105}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 39   and name HA  ))
       2.500     0.800     0.800 peak   105 spectrum    3 weight  0.10000E+01 volume  0.64342E-02 ppm1      1.335 ppm2      4.031 CV     1
  OR {  105}
    (( segid "    " and resid 39   and name HG3 ))
    (( segid "    " and resid 39   and name HA  ))
  ASSI {  106}
    (( segid "    " and resid 49   and name HG12))
    (( segid "    " and resid 54   and name HA  ))
       2.200     0.600     0.600 peak   106 spectrum    3 weight  0.10000E+01 volume  0.81355E-02 ppm1      1.275 ppm2      4.063 CV     1
  ASSI {  107}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 48   and name HA  ))
       2.200     0.600     0.600 peak   107 spectrum    3 weight  0.10000E+01 volume  0.70339E-02 ppm1      1.206 ppm2      4.471 CV     1
  ASSI {  112}
    (( segid "    " and resid 83   and name HB3 ))
    (( segid "    " and resid 83   and name HB2 ))
       2.000     0.500     0.500 peak   112 spectrum    3 weight  0.10000E+01 volume  0.65974E-02 ppm1      0.984 ppm2      2.902 CV     1
  ASSI {  113}
    (  segid "    " and resid 34   and name HD1%)
    (( segid "    " and resid 34   and name HA  ))
       2.300     0.600     0.600 peak   113 spectrum    3 weight  0.10000E+01 volume  0.80991E-02 ppm1      0.908 ppm2      3.958 CV     1
  ASSI {  129}
    (( segid "    " and resid 51   and name HD2 ))
    (( segid "    " and resid 51   and name HB2 ))
       2.600     0.800     0.800 peak   129 spectrum    3 weight  0.10000E+01 volume  0.59977E-02 ppm1      6.997 ppm2      3.110 CV     1
  OR {  129}
    (( segid "    " and resid 51   and name HD2 ))
    (( segid "    " and resid 51   and name HB3 ))
  ASSI {  133}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 49   and name HA  ))
       2.700     0.900     0.900 peak   133 spectrum    3 weight  0.10000E+01 volume  0.33964E-02 ppm1      6.599 ppm2      4.979 CV     1
  ASSI {  134}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 55   and name HA  ))
       2.700     0.900     0.900 peak   134 spectrum    3 weight  0.10000E+01 volume  0.47101E-02 ppm1      6.600 ppm2      4.422 CV     1
  ASSI {  135}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 54   and name HA  ))
       2.600     0.800     0.800 peak   135 spectrum    3 weight  0.10000E+01 volume  0.40429E-02 ppm1      6.601 ppm2      4.071 CV     1
  ASSI {  136}
    (( segid "    " and resid 67   and name HA2 ))
    (( segid "    " and resid 67   and name HA1 ))
       1.800     0.400     0.400 peak   136 spectrum    3 weight  0.10000E+01 volume  0.16999E-01 ppm1      5.974 ppm2      5.624 CV     1
  ASSI {  138}
    (( segid "    " and resid 103  and name HA  ))
    (( segid "    " and resid 53   and name HA  ))
       2.000     0.500     0.500 peak   138 spectrum    3 weight  0.10000E+01 volume  0.10854E-01 ppm1      5.108 ppm2      4.735 CV     1
  ASSI {  142}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 45   and name HB3 ))
       2.700     0.900     0.900 peak   142 spectrum    3 weight  0.10000E+01 volume  0.43352E-02 ppm1      4.718 ppm2      3.268 CV     1
  ASSI {  146}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 80   and name HB  ))
       2.500     0.800     0.800 peak   146 spectrum    3 weight  0.10000E+01 volume  0.39594E-02 ppm1      4.394 ppm2      2.922 CV     1
  ASSI {  148}
    (( segid "    " and resid 102  and name HA2 ))
    (( segid "    " and resid 102  and name HA1 ))
       1.900     0.400     0.400 peak   148 spectrum    3 weight  0.10000E+01 volume  0.11534E-01 ppm1      4.042 ppm2      4.377 CV     1
  ASSI {  151}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HA  ))
       2.700     0.900     0.900 peak   151 spectrum    3 weight  0.10000E+01 volume  0.51510E-02 ppm1      1.503 ppm2      3.958 CV     1
  ASSI {  152}
    (( segid "    " and resid 99   and name HZ  ))
    (  segid "    " and resid 60   and name HD% )
       2.400     0.700     0.700 peak   152 spectrum    3 weight  0.10000E+01 volume  0.58986E-02 ppm1      7.179 ppm2      7.531 CV     1
  ASSI {  153}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 61   and name HG  ))
       2.500     0.800     0.800 peak   153 spectrum    3 weight  0.10000E+01 volume  0.45358E-02 ppm1      3.709 ppm2      2.467 CV     1
  ASSI {  156}
    (( segid "    " and resid 93   and name HD2 ))
    (( segid "    " and resid 90   and name HA  ))
       2.600     0.900     0.900 peak   156 spectrum    3 weight  0.10000E+01 volume  0.52603E-02 ppm1      4.093 ppm2      4.466 CV     1
  OR {  156}
    (( segid "    " and resid 93   and name HD2 ))
    (( segid "    " and resid 90   and name HB  ))
  ASSI {  161}
    (( segid "    " and resid 50   and name HB3 ))
    (  segid "    " and resid 55   and name HE% )
       3.100     1.200     1.200 peak   161 spectrum    3 weight  0.10000E+01 volume  0.58080E-02 ppm1      0.193 ppm2      6.467 CV     1
  ASSI {  162}
    (( segid "    " and resid 93   and name HG3 ))
    (( segid "    " and resid 93   and name HA  ))
       2.900     1.000     1.000 peak   162 spectrum    3 weight  0.10000E+01 volume  0.45376E-02 ppm1      2.788 ppm2      4.564 CV     1
  ASSI {  164}
    (( segid "    " and resid 69   and name HB3 ))
    (( segid "    " and resid 69   and name HA  ))
       2.200     0.600     0.600 peak   164 spectrum    3 weight  0.10000E+01 volume  0.10770E-01 ppm1      2.365 ppm2      4.225 CV     1
  ASSI {  173}
    (( segid "    " and resid 46   and name HB  ))
    (  segid "    " and resid 61   and name HD1%)
       3.000     1.100     1.100 peak   173 spectrum    3 weight  0.10000E+01 volume  0.43038E-02 ppm1      3.632 ppm2      1.274 CV     1
  ASSI {  175}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 54   and name HB  ))
       2.600     0.800     0.800 peak   175 spectrum    3 weight  0.10000E+01 volume  0.33706E-02 ppm1      4.071 ppm2      1.039 CV     1
  ASSI {  182}
    (  segid "    " and resid 101  and name HD1%)
    (  segid "    " and resid 32   and name HE% )
       2.700     2.700     3.300 peak   182 spectrum    3 weight  0.10000E+01 volume  0.42188E-02 ppm1     -1.170 ppm2      6.511 CV     1
  ASSI {  187}
    (( segid "    " and resid 64   and name HHB ))
    (( segid "    " and resid 96   and name HA  ))
       3.100     3.100     2.900 peak   187 spectrum    3 weight  0.10000E+01 volume  0.31769E-02 ppm1     11.594 ppm2      3.876 CV     1
  OR {  187}
    (( segid "    " and resid 64   and name HHB ))
    (( segid "    " and resid 96   and name HB2 ))
  ASSI {  194}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 39   and name HB3 ))
       1.700     0.400     0.500 peak   194 spectrum    3 weight  0.10000E+01 volume  0.26642E-01 ppm1      1.596 ppm2      1.351 CV     1
  OR {  194}
    (( segid "    " and resid 39   and name HG2 ))
    (( segid "    " and resid 39   and name HG3 ))
  OR {  194}
    (( segid "    " and resid 39   and name HD3 ))
    (( segid "    " and resid 39   and name HG3 ))
  OR {  194}
    (( segid "    " and resid 39   and name HD2 ))
    (( segid "    " and resid 39   and name HG3 ))
  OR {  194}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 39   and name HG3 ))
  OR {  194}
    (( segid "    " and resid 39   and name HG2 ))
    (( segid "    " and resid 39   and name HB3 ))
  ASSI {  195}
    (( segid "    " and resid 65   and name HB3 ))
    (( segid "    " and resid 64   and name HHA ))
       3.400     1.400     1.400 peak   195 spectrum    3 weight  0.10000E+01 volume  0.47269E-02 ppm1     -3.207 ppm2      1.890 CV     1
  ASSI {  199}
    (( segid "    " and resid 29   and name HA  ))
    (  segid "    " and resid 29   and name HG2%)
       2.600     0.800     0.800 peak   199 spectrum    3 weight  0.10000E+01 volume  0.52675E-02 ppm1      3.757 ppm2      0.337 CV     1
  ASSI {  212}
    (( segid "    " and resid 31   and name HA  ))
    (  segid "    " and resid 31   and name HD% )
       2.200     0.600     0.600 peak   212 spectrum    3 weight  0.10000E+01 volume  0.94875E-02 ppm1      5.676 ppm2      6.833 CV     1
  ASSI {  213}
    (( segid "    " and resid 31   and name HB2 ))
    (  segid "    " and resid 31   and name HD% )
       2.300     0.700     0.700 peak   213 spectrum    3 weight  0.10000E+01 volume  0.58516E-02 ppm1      2.839 ppm2      6.835 CV     1
  ASSI {  220}
    (( segid "    " and resid 32   and name HB2 ))
    (  segid "    " and resid 32   and name HD% )
       2.400     0.700     0.700 peak   220 spectrum    3 weight  0.10000E+01 volume  0.65777E-02 ppm1      3.135 ppm2      6.867 CV     1
  ASSI {  222}
    (( segid "    " and resid 32   and name HB3 ))
    (  segid "    " and resid 32   and name HD% )
       2.200     0.600     0.600 peak   222 spectrum    3 weight  0.10000E+01 volume  0.74680E-02 ppm1      2.407 ppm2      6.867 CV     1
  ASSI {  224}
    (  segid "    " and resid 32   and name HD% )
    (  segid "    " and resid 32   and name HE% )
       1.800     0.400     0.400 peak   224 spectrum    3 weight  0.10000E+01 volume  0.26525E-01 ppm1      6.869 ppm2      6.512 CV     1
  ASSI {  226}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 33   and name HB  ))
       2.000     0.500     0.500 peak   226 spectrum    3 weight  0.10000E+01 volume  0.14333E-01 ppm1      4.580 ppm2      4.826 CV     1
  ASSI {  241}
    (( segid "    " and resid 37   and name HA  ))
    (  segid "    " and resid 37   and name HG2%)
       2.500     0.800     0.800 peak   241 spectrum    3 weight  0.10000E+01 volume  0.79674E-02 ppm1      3.614 ppm2      0.725 CV     1
  OR {  241}
    (( segid "    " and resid 37   and name HA  ))
    (  segid "    " and resid 37   and name HD1%)
  ASSI {  243}
    (  segid "    " and resid 37   and name HD1%)
    (( segid "    " and resid 37   and name HG12))
       2.200     0.600     0.600 peak   243 spectrum    3 weight  0.10000E+01 volume  0.86247E-02 ppm1      0.728 ppm2      2.036 CV     1
  OR {  243}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 37   and name HG12))
  ASSI {  248}
    (( segid "    " and resid 37   and name HG13))
    (( segid "    " and resid 37   and name HG12))
       1.900     0.400     0.400 peak   248 spectrum    3 weight  0.10000E+01 volume  0.73627E-02 ppm1      0.933 ppm2      2.038 CV     1
  ASSI {  260}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HA  ))
       2.200     0.600     0.600 peak   260 spectrum    3 weight  0.10000E+01 volume  0.96915E-02 ppm1      2.255 ppm2      4.677 CV     1
  ASSI {  261}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HB3 ))
       1.800     0.400     0.400 peak   261 spectrum    3 weight  0.10000E+01 volume  0.15367E-01 ppm1      2.255 ppm2      2.969 CV     1
  ASSI {  266}
    (( segid "    " and resid 42   and name HB2 ))
    (( segid "    " and resid 42   and name HA  ))
       2.300     0.700     0.700 peak   266 spectrum    3 weight  0.10000E+01 volume  0.10749E-01 ppm1      3.308 ppm2      5.102 CV     1
  ASSI {  267}
    (( segid "    " and resid 42   and name HB3 ))
    (( segid "    " and resid 42   and name HA  ))
       2.200     0.600     0.600 peak   267 spectrum    3 weight  0.10000E+01 volume  0.10674E-01 ppm1      2.970 ppm2      5.102 CV     1
  ASSI {  268}
    (( segid "    " and resid 42   and name HB3 ))
    (( segid "    " and resid 42   and name HD2 ))
       2.500     0.800     0.800 peak   268 spectrum    3 weight  0.10000E+01 volume  0.47886E-02 ppm1      2.970 ppm2      7.245 CV     1
  ASSI {  282}
    (( segid "    " and resid 45   and name HA  ))
    (( segid "    " and resid 45   and name HB2 ))
       2.400     0.700     0.700 peak   282 spectrum    3 weight  0.10000E+01 volume  0.66936E-02 ppm1      4.720 ppm2      3.881 CV     1
  ASSI {  284}
    (( segid "    " and resid 45   and name HB2 ))
    (( segid "    " and resid 45   and name HB3 ))
       1.700     0.400     0.500 peak   284 spectrum    3 weight  0.10000E+01 volume  0.18765E-01 ppm1      3.884 ppm2      3.269 CV     1
  ASSI {  288}
    (( segid "    " and resid 46   and name HA  ))
    (  segid "    " and resid 46   and name HG2%)
       2.200     0.600     0.600 peak   288 spectrum    3 weight  0.10000E+01 volume  0.12507E-01 ppm1      4.268 ppm2      0.804 CV     1
  ASSI {  290}
    (( segid "    " and resid 46   and name HB  ))
    (( segid "    " and resid 46   and name HA  ))
       2.400     0.700     0.700 peak   290 spectrum    3 weight  0.10000E+01 volume  0.79546E-02 ppm1      3.632 ppm2      4.265 CV     1
  ASSI {  295}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 47   and name HD1 ))
       2.100     0.600     0.600 peak   295 spectrum    3 weight  0.10000E+01 volume  0.10747E-01 ppm1      6.155 ppm2      6.721 CV     1
  ASSI {  296}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 56   and name HA  ))
       2.400     0.700     0.700 peak   296 spectrum    3 weight  0.10000E+01 volume  0.71345E-02 ppm1      6.156 ppm2      4.976 CV     1
  ASSI {  303}
    (( segid "    " and resid 47   and name HH2 ))
    (( segid "    " and resid 47   and name HZ3 ))
       2.300     0.700     0.700 peak   303 spectrum    3 weight  0.10000E+01 volume  0.78989E-02 ppm1      5.755 ppm2      6.362 CV     1
  ASSI {  308}
    (( segid "    " and resid 48   and name HB2 ))
    (  segid "    " and resid 48   and name HD1%)
       2.400     0.700     0.700 peak   308 spectrum    3 weight  0.10000E+01 volume  0.57246E-02 ppm1      1.205 ppm2     -0.618 CV     1
  ASSI {  310}
    (  segid "    " and resid 48   and name HD1%)
    (  segid "    " and resid 48   and name HD2%)
       2.300     0.700     0.700 peak   310 spectrum    3 weight  0.10000E+01 volume  0.71983E-02 ppm1     -0.614 ppm2      0.805 CV     1
  ASSI {  311}
    (  segid "    " and resid 48   and name HD1%)
    (( segid "    " and resid 48   and name HG  ))
       2.200     2.200     3.800 peak   311 spectrum    3 weight  0.10000E+01 volume  0.84625E-02 ppm1     -0.611 ppm2     -0.473 CV     1
  ASSI {  317}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 54   and name HA  ))
       2.200     0.600     0.600 peak   317 spectrum    3 weight  0.10000E+01 volume  0.67375E-02 ppm1      4.982 ppm2      4.071 CV     1
  ASSI {  322}
    (  segid "    " and resid 49   and name HD1%)
    (  segid "    " and resid 49   and name HG2%)
       2.200     2.200     3.800 peak   322 spectrum    3 weight  0.10000E+01 volume  0.15995E-01 ppm1      0.726 ppm2      0.655 CV     1
  ASSI {  324}
    (( segid "    " and resid 49   and name HG12))
    (( segid "    " and resid 49   and name HG13))
       1.800     0.400     0.400 peak   324 spectrum    3 weight  0.10000E+01 volume  0.85182E-02 ppm1      1.271 ppm2      0.516 CV     1
  ASSI {  331}
    (( segid "    " and resid 50   and name HB2 ))
    (( segid "    " and resid 50   and name HA  ))
       2.800     0.900     0.900 peak   331 spectrum    3 weight  0.10000E+01 volume  0.37206E-02 ppm1      1.263 ppm2      4.390 CV     1
  ASSI {  350}
    (( segid "    " and resid 50   and name HG  ))
    (  segid "    " and resid 50   and name HD2%)
       2.100     0.500     0.500 peak   350 spectrum    3 weight  0.10000E+01 volume  0.13125E-01 ppm1     -1.956 ppm2     -0.776 CV     1
  ASSI {  354}
    (( segid "    " and resid 52   and name HB2 ))
    (( segid "    " and resid 52   and name HB3 ))
       1.900     0.500     0.500 peak   354 spectrum    3 weight  0.10000E+01 volume  0.12977E-01 ppm1      3.654 ppm2      3.197 CV     1
  ASSI {  372}
    (  segid "    " and resid 54   and name HG2%)
    (  segid "    " and resid 37   and name HD1%)
       2.300     2.300     3.700 peak   372 spectrum    3 weight  0.10000E+01 volume  0.81296E-02 ppm1      0.049 ppm2      0.724 CV     1
  OR {  372}
    (  segid "    " and resid 54   and name HG2%)
    (  segid "    " and resid 37   and name HG2%)
  ASSI {  382}
    (( segid "    " and resid 55   and name HB2 ))
    (  segid "    " and resid 55   and name HD% )
       2.200     0.600     0.600 peak   382 spectrum    3 weight  0.10000E+01 volume  0.10758E-01 ppm1      2.083 ppm2      6.596 CV     1
  ASSI {  387}
    (( segid "    " and resid 55   and name HB3 ))
    (  segid "    " and resid 55   and name HD% )
       2.000     0.500     0.500 peak   387 spectrum    3 weight  0.10000E+01 volume  0.10704E-01 ppm1      1.878 ppm2      6.596 CV     1
  ASSI {  394}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 99   and name HB3 ))
       2.400     0.700     0.700 peak   394 spectrum    3 weight  0.10000E+01 volume  0.81134E-02 ppm1      6.599 ppm2      2.548 CV     1
  ASSI {  395}
    (  segid "    " and resid 55   and name HD% )
    (  segid "    " and resid 99   and name HD% )
       3.300     1.400     1.400 peak   395 spectrum    3 weight  0.10000E+01 volume  0.42879E-02 ppm1      6.601 ppm2      7.059 CV     1
  ASSI {  396}
    (  segid "    " and resid 55   and name HE% )
    (( segid "    " and resid 50   and name HB2 ))
       2.000     0.500     0.500 peak   396 spectrum    3 weight  0.10000E+01 volume  0.80586E-02 ppm1      6.470 ppm2      1.264 CV     1
  ASSI {  401}
    (( segid "    " and resid 56   and name HB2 ))
    (( segid "    " and resid 56   and name HB3 ))
       1.800     0.400     0.400 peak   401 spectrum    3 weight  0.10000E+01 volume  0.12959E-01 ppm1      2.912 ppm2      1.789 CV     1
  ASSI {  409}
    (( segid "    " and resid 57   and name HB2 ))
    (( segid "    " and resid 57   and name HG  ))
       2.400     0.700     0.700 peak   409 spectrum    3 weight  0.10000E+01 volume  0.45822E-02 ppm1      1.662 ppm2     -0.489 CV     1
  ASSI {  411}
    (( segid "    " and resid 57   and name HB3 ))
    (( segid "    " and resid 57   and name HB2 ))
       1.600     0.300     0.600 peak   411 spectrum    3 weight  0.10000E+01 volume  0.17804E-01 ppm1      1.041 ppm2      1.661 CV     1
  ASSI {  417}
    (  segid "    " and resid 57   and name HD2%)
    (( segid "    " and resid 57   and name HB3 ))
       3.100     1.200     1.200 peak   417 spectrum    3 weight  0.10000E+01 volume  0.34964E-02 ppm1     -0.073 ppm2      1.040 CV     1
  ASSI {  428}
    (( segid "    " and resid 58   and name HA  ))
    (  segid "    " and resid 61   and name HD1%)
       2.600     2.600     3.400 peak   428 spectrum    3 weight  0.10000E+01 volume  0.65734E-02 ppm1      3.709 ppm2      1.274 CV     1
  ASSI {  430}
    (( segid "    " and resid 58   and name HB  ))
    (  segid "    " and resid 58   and name HG2%)
       2.100     0.500     0.500 peak   430 spectrum    3 weight  0.10000E+01 volume  0.20043E-01 ppm1      4.315 ppm2      1.336 CV     1
  ASSI {  442}
    (( segid "    " and resid 59   and name HE2 ))
    (( segid "    " and resid 59   and name HD3 ))
       2.600     0.900     0.900 peak   442 spectrum    3 weight  0.10000E+01 volume  0.43063E-02 ppm1      3.159 ppm2      1.888 CV     1
  OR {  442}
    (( segid "    " and resid 59   and name HE3 ))
    (( segid "    " and resid 59   and name HD3 ))
  OR {  442}
    (( segid "    " and resid 59   and name HE2 ))
    (( segid "    " and resid 59   and name HD2 ))
  OR {  442}
    (( segid "    " and resid 59   and name HE3 ))
    (( segid "    " and resid 59   and name HD2 ))
  ASSI {  445}
    (( segid "    " and resid 60   and name HA  ))
    (  segid "    " and resid 60   and name HD% )
       2.200     0.600     0.600 peak   445 spectrum    3 weight  0.10000E+01 volume  0.12338E-01 ppm1      5.155 ppm2      7.531 CV     1
  ASSI {  448}
    (( segid "    " and resid 60   and name HB2 ))
    (  segid "    " and resid 60   and name HD% )
       2.200     0.600     0.600 peak   448 spectrum    3 weight  0.10000E+01 volume  0.92113E-02 ppm1      2.865 ppm2      7.531 CV     1
  ASSI {  452}
    (( segid "    " and resid 60   and name HB3 ))
    (  segid "    " and resid 60   and name HD% )
       2.100     0.600     0.600 peak   452 spectrum    3 weight  0.10000E+01 volume  0.87661E-02 ppm1      2.594 ppm2      7.531 CV     1
  ASSI {  453}
    (  segid "    " and resid 60   and name HD% )
    (  segid "    " and resid 57   and name HD2%)
       2.000     0.500     0.500 peak   453 spectrum    3 weight  0.10000E+01 volume  0.48820E-02 ppm1      7.533 ppm2     -0.073 CV     1
  ASSI {  459}
    (( segid "    " and resid 61   and name HA  ))
    (  segid "    " and resid 61   and name HD1%)
       3.200     1.300     1.300 peak   459 spectrum    3 weight  0.10000E+01 volume  0.39242E-02 ppm1      4.765 ppm2      1.274 CV     1
  ASSI {  465}
    (( segid "    " and resid 61   and name HB2 ))
    (  segid "    " and resid 61   and name HD2%)
       3.000     1.100     1.100 peak   465 spectrum    3 weight  0.10000E+01 volume  0.44601E-02 ppm1      2.373 ppm2      1.184 CV     1
  ASSI {  471}
    (  segid "    " and resid 61   and name HD1%)
    (( segid "    " and resid 61   and name HB3 ))
       2.700     0.900     0.900 peak   471 spectrum    3 weight  0.10000E+01 volume  0.72360E-02 ppm1      1.278 ppm2      2.084 CV     1
  ASSI {  475}
    (  segid "    " and resid 61   and name HD2%)
    (  segid "    " and resid 61   and name HD1%)
       2.100     0.600     0.600 peak   475 spectrum    3 weight  0.10000E+01 volume  0.17426E-01 ppm1      1.184 ppm2      1.276 CV     1
  ASSI {  477}
    (( segid "    " and resid 61   and name HG  ))
    (  segid "    " and resid 61   and name HD1%)
       2.100     0.500     0.500 peak   477 spectrum    3 weight  0.10000E+01 volume  0.12968E-01 ppm1      2.468 ppm2      1.275 CV     1
  ASSI {  480}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 62   and name HB3 ))
       2.400     0.700     0.700 peak   480 spectrum    3 weight  0.10000E+01 volume  0.82486E-02 ppm1      4.873 ppm2      2.378 CV     1
  ASSI {  494}
    (( segid "    " and resid 68   and name HB3 ))
    (( segid "    " and resid 68   and name HB2 ))
       1.600     0.300     0.600 peak   494 spectrum    3 weight  0.10000E+01 volume  0.30740E-01 ppm1      2.767 ppm2      2.862 CV     1
  OR {  494}
    (( segid "    " and resid 68   and name HB3 ))
    (( segid "    " and resid 68   and name HG2 ))
  ASSI {  504}
    (( segid "    " and resid 71   and name HB2 ))
    (( segid "    " and resid 71   and name HB3 ))
       1.900     0.400     0.400 peak   504 spectrum    3 weight  0.10000E+01 volume  0.91958E-02 ppm1      2.660 ppm2      0.783 CV     1
  ASSI {  511}
    (( segid "    " and resid 72   and name HB3 ))
    (( segid "    " and resid 73   and name HA  ))
       2.500     2.500     3.500 peak   511 spectrum    3 weight  0.10000E+01 volume  0.83965E-02 ppm1      2.004 ppm2      3.984 CV     1
  ASSI {  512}
    (( segid "    " and resid 72   and name HD3 ))
    (( segid "    " and resid 72   and name HG2 ))
       2.400     0.700     0.700 peak   512 spectrum    3 weight  0.10000E+01 volume  0.77725E-02 ppm1      3.359 ppm2      1.961 CV     1
  OR {  512}
    (( segid "    " and resid 72   and name HD2 ))
    (( segid "    " and resid 72   and name HG2 ))
  ASSI {  518}
    (( segid "    " and resid 111  and name HB3 ))
    (( segid "    " and resid 111  and name HA  ))
       2.400     0.700     0.700 peak   518 spectrum    3 weight  0.10000E+01 volume  0.74985E-02 ppm1      1.929 ppm2      4.174 CV     1
  ASSI {  520}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 74   and name HB3 ))
       2.300     0.700     0.700 peak   520 spectrum    3 weight  0.10000E+01 volume  0.72394E-02 ppm1      4.170 ppm2      0.896 CV     1
  ASSI {  527}
    (( segid "    " and resid 74   and name HG2 ))
    (( segid "    " and resid 74   and name HG3 ))
       1.800     0.400     0.400 peak   527 spectrum    3 weight  0.10000E+01 volume  0.16369E-01 ppm1      2.052 ppm2      1.426 CV     1
  ASSI {  531}
    (( segid "    " and resid 75   and name HA  ))
    (  segid "    " and resid 46   and name HG2%)
       2.700     2.700     3.300 peak   531 spectrum    3 weight  0.10000E+01 volume  0.74966E-02 ppm1      3.760 ppm2      0.804 CV     1
  ASSI {  548}
    (( segid "    " and resid 81   and name HB3 ))
    (( segid "    " and resid 81   and name HA  ))
       2.500     0.800     0.800 peak   548 spectrum    3 weight  0.10000E+01 volume  0.72120E-02 ppm1      1.928 ppm2      3.908 CV     1
  ASSI {  552}
    (( segid "    " and resid 82   and name HB2 ))
    (( segid "    " and resid 82   and name HB3 ))
       1.700     0.400     0.500 peak   552 spectrum    3 weight  0.10000E+01 volume  0.22426E-01 ppm1      2.219 ppm2      1.779 CV     1
  ASSI {  554}
    (( segid "    " and resid 80   and name HB  ))
    (  segid "    " and resid 50   and name HD2%)
       2.300     0.600     0.600 peak   554 spectrum    3 weight  0.10000E+01 volume  0.14597E-01 ppm1      2.921 ppm2     -0.776 CV     1
  ASSI {  566}
    (( segid "    " and resid 84   and name HG2 ))
    (( segid "    " and resid 84   and name HG3 ))
       1.900     0.500     0.500 peak   566 spectrum    3 weight  0.10000E+01 volume  0.11912E-01 ppm1      3.008 ppm2      3.123 CV     1
  ASSI {  578}
    (( segid "    " and resid 87   and name HA2 ))
    (( segid "    " and resid 87   and name HA1 ))
       1.600     0.300     0.600 peak   578 spectrum    3 weight  0.10000E+01 volume  0.32566E-01 ppm1      4.851 ppm2      5.065 CV     1
  ASSI {  581}
    (( segid "    " and resid 89   and name HB2 ))
    (( segid "    " and resid 89   and name HA  ))
       2.000     0.500     0.500 peak   581 spectrum    3 weight  0.10000E+01 volume  0.27022E-01 ppm1      4.524 ppm2      4.950 CV     1
  ASSI {  583}
    (( segid "    " and resid 89   and name HB3 ))
    (( segid "    " and resid 89   and name HA  ))
       2.000     0.500     0.500 peak   583 spectrum    3 weight  0.10000E+01 volume  0.24416E-01 ppm1      4.263 ppm2      4.951 CV     1
  ASSI {  584}
    (( segid "    " and resid 89   and name HB3 ))
    (( segid "    " and resid 89   and name HB2 ))
       1.700     0.300     0.500 peak   584 spectrum    3 weight  0.10000E+01 volume  0.27509E-01 ppm1      4.263 ppm2      4.524 CV     1
  ASSI {  589}
    (( segid "    " and resid 93   and name HD2 ))
    (( segid "    " and resid 93   and name HD3 ))
       1.600     0.300     0.600 peak   589 spectrum    3 weight  0.10000E+01 volume  0.22139E-01 ppm1      4.095 ppm2      3.798 CV     1
  ASSI {  600}
    (( segid "    " and resid 91   and name HB3 ))
    (( segid "    " and resid 91   and name HA  ))
       2.600     0.800     0.800 peak   600 spectrum    3 weight  0.10000E+01 volume  0.61792E-02 ppm1      2.629 ppm2      4.503 CV     1
  ASSI {  601}
    (( segid "    " and resid 96   and name HA  ))
    (  segid "    " and resid 99   and name HD% )
       1.800     0.400     0.400 peak   601 spectrum    3 weight  0.10000E+01 volume  0.16120E-01 ppm1      3.878 ppm2      7.059 CV     1
  ASSI {  606}
    (( segid "    " and resid 100  and name HB  ))
    (( segid "    " and resid 97   and name HA  ))
       2.900     1.100     1.100 peak   606 spectrum    3 weight  0.10000E+01 volume  0.53649E-02 ppm1      1.448 ppm2      4.027 CV     1
  ASSI {  607}
    (( segid "    " and resid 111  and name HG2 ))
    (( segid "    " and resid 111  and name HB3 ))
       2.500     0.800     0.800 peak   607 spectrum    3 weight  0.10000E+01 volume  0.62489E-02 ppm1      1.465 ppm2      1.923 CV     1
  OR {  607}
    (( segid "    " and resid 111  and name HG3 ))
    (( segid "    " and resid 111  and name HB3 ))
  ASSI {  608}
    (( segid "    " and resid 98   and name HA  ))
    (  segid "    " and resid 98   and name HG2%)
       2.400     0.700     0.700 peak   608 spectrum    3 weight  0.10000E+01 volume  0.83703E-02 ppm1      3.883 ppm2      0.898 CV     1
  ASSI {  613}
    (( segid "    " and resid 99   and name HA  ))
    (  segid "    " and resid 99   and name HD% )
       2.100     0.600     0.600 peak   613 spectrum    3 weight  0.10000E+01 volume  0.13084E-01 ppm1      4.771 ppm2      7.059 CV     1
  ASSI {  616}
    (( segid "    " and resid 99   and name HB2 ))
    (( segid "    " and resid 99   and name HA  ))
       2.600     0.800     0.800 peak   616 spectrum    3 weight  0.10000E+01 volume  0.76043E-02 ppm1      3.615 ppm2      4.768 CV     1
  ASSI {  618}
    (( segid "    " and resid 99   and name HB2 ))
    (  segid "    " and resid 99   and name HD% )
       2.100     0.600     0.600 peak   618 spectrum    3 weight  0.10000E+01 volume  0.84699E-02 ppm1      3.615 ppm2      7.059 CV     1
  ASSI {  621}
    (( segid "    " and resid 99   and name HB3 ))
    (( segid "    " and resid 99   and name HA  ))
       2.500     0.800     0.800 peak   621 spectrum    3 weight  0.10000E+01 volume  0.46840E-02 ppm1      2.550 ppm2      4.768 CV     1
  ASSI {  623}
    (( segid "    " and resid 99   and name HB3 ))
    (  segid "    " and resid 99   and name HD% )
       2.200     0.600     0.600 peak   623 spectrum    3 weight  0.10000E+01 volume  0.92674E-02 ppm1      2.552 ppm2      7.059 CV     1
  ASSI {  629}
    (  segid "    " and resid 99   and name HD% )
    (  segid "    " and resid 99   and name HE% )
       1.700     0.400     0.500 peak   629 spectrum    3 weight  0.10000E+01 volume  0.35727E-01 ppm1      7.061 ppm2      6.839 CV     1
  ASSI {  635}
    (( segid "    " and resid 99   and name HZ  ))
    (  segid "    " and resid 99   and name HE% )
       1.900     0.400     0.400 peak   635 spectrum    3 weight  0.10000E+01 volume  0.26160E-01 ppm1      7.179 ppm2      6.839 CV     1
  ASSI {  639}
    (( segid "    " and resid 100  and name HB  ))
    (( segid "    " and resid 100  and name HA  ))
       2.700     0.900     0.900 peak   639 spectrum    3 weight  0.10000E+01 volume  0.37206E-02 ppm1      1.441 ppm2      3.451 CV     1
  ASSI {  646}
    (( segid "    " and resid 100  and name HG12))
    (( segid "    " and resid 100  and name HA  ))
       2.500     0.800     0.800 peak   646 spectrum    3 weight  0.10000E+01 volume  0.34737E-02 ppm1      1.306 ppm2      3.452 CV     1
  ASSI {  647}
    (( segid "    " and resid 100  and name HG12))
    (( segid "    " and resid 100  and name HG13))
       1.700     0.300     0.500 peak   647 spectrum    3 weight  0.10000E+01 volume  0.12263E-01 ppm1      1.307 ppm2     -0.236 CV     1
  ASSI {  659}
    (  segid "    " and resid 101  and name HD1%)
    (( segid "    " and resid 47   and name HZ2 ))
       2.700     2.700     3.300 peak   659 spectrum    3 weight  0.10000E+01 volume  0.37231E-02 ppm1     -1.170 ppm2      6.631 CV     1
  ASSI {  665}
    (( segid "    " and resid 101  and name HG12))
    (  segid "    " and resid 101  and name HD1%)
       2.200     0.600     0.600 peak   665 spectrum    3 weight  0.10000E+01 volume  0.74013E-02 ppm1      0.160 ppm2     -1.173 CV     1
  ASSI {  666}
    (( segid "    " and resid 101  and name HG12))
    (( segid "    " and resid 101  and name HG13))
       1.700     0.400     0.500 peak   666 spectrum    3 weight  0.10000E+01 volume  0.97649E-02 ppm1      0.159 ppm2     -0.094 CV     1
  ASSI {  667}
    (( segid "    " and resid 101  and name HG13))
    (  segid "    " and resid 54   and name HG2%)
       2.900     1.100     1.100 peak   667 spectrum    3 weight  0.10000E+01 volume  0.37773E-02 ppm1     -0.095 ppm2      0.047 CV     1
  ASSI {  668}
    (( segid "    " and resid 101  and name HG13))
    (  segid "    " and resid 101  and name HD1%)
       2.300     0.600     0.600 peak   668 spectrum    3 weight  0.10000E+01 volume  0.69383E-02 ppm1     -0.091 ppm2     -1.173 CV     1
  ASSI {  677}
    (( segid "    " and resid 103  and name HB2 ))
    (  segid "    " and resid 31   and name HD% )
       3.300     1.400     1.400 peak   677 spectrum    3 weight  0.10000E+01 volume  0.46771E-02 ppm1      2.167 ppm2      6.833 CV     1
  OR {  677}
    (( segid "    " and resid 103  and name HG3 ))
    (  segid "    " and resid 31   and name HD% )
  ASSI {  678}
    (( segid "    " and resid 103  and name HB3 ))
    (  segid "    " and resid 31   and name HD% )
       2.300     0.600     0.600 peak   678 spectrum    3 weight  0.10000E+01 volume  0.58880E-02 ppm1      1.718 ppm2      6.833 CV     1
  ASSI {  681}
    (( segid "    " and resid 104  and name HB2 ))
    (( segid "    " and resid 104  and name HB3 ))
       1.900     0.400     0.400 peak   681 spectrum    3 weight  0.10000E+01 volume  0.10609E-01 ppm1      1.688 ppm2      0.989 CV     1
  ASSI {  684}
    (  segid "    " and resid 104  and name HD2%)
    (  segid "    " and resid 104  and name HD1%)
       2.300     0.600     0.600 peak   684 spectrum    3 weight  0.10000E+01 volume  0.12458E-01 ppm1      1.037 ppm2      0.885 CV     1
  OR {  684}
    (( segid "    " and resid 104  and name HB3 ))
    (  segid "    " and resid 104  and name HD1%)
  ASSI {  687}
    (( segid "    " and resid 105  and name HA  ))
    (( segid "    " and resid 106  and name HD2 ))
       2.600     0.800     0.800 peak   687 spectrum    3 weight  0.10000E+01 volume  0.69673E-02 ppm1      3.755 ppm2      2.256 CV     1
  ASSI {  700}
    (( segid "    " and resid 106  and name HG3 ))
    (( segid "    " and resid 106  and name HB2 ))
       3.000     1.100     1.100 peak   700 spectrum    3 weight  0.10000E+01 volume  0.44511E-02 ppm1      1.394 ppm2      2.162 CV     1
  ASSI {  705}
    (( segid "    " and resid 30   and name HG2 ))
    (( segid "    " and resid 30   and name HA  ))
       2.900     1.000     1.000 peak   705 spectrum    3 weight  0.10000E+01 volume  0.35945E-02 ppm1      1.180 ppm2      4.058 CV     1
  ASSI {  716}
    (( segid "    " and resid 119  and name HG  ))
    (  segid "    " and resid 119  and name HD2%)
       2.200     0.600     0.600 peak   716 spectrum    3 weight  0.10000E+01 volume  0.12882E-01 ppm1      1.682 ppm2      0.856 CV     1
  OR {  716}
    (( segid "    " and resid 119  and name HB3 ))
    (  segid "    " and resid 119  and name HD2%)
  OR {  716}
    (( segid "    " and resid 119  and name HB2 ))
    (  segid "    " and resid 119  and name HD2%)
  ASSI {    3}
    (( segid "    " and resid 50   and name HG  ))
    (( segid "    " and resid 50   and name HN  ))
       3.900     1.900     1.900 peak     3 spectrum    4 weight  0.10000E+01 volume  0.58843E-03 ppm1     -1.998 ppm2      8.358 CV     1
  ASSI {    4}
    (  segid "    " and resid 101  and name HD1%)
    (( segid "    " and resid 102  and name HN  ))
       4.700     2.800     1.300 peak     4 spectrum    4 weight  0.10000E+01 volume  0.93141E-03 ppm1     -1.217 ppm2      7.292 CV     1
  ASSI {    5}
    (  segid "    " and resid 101  and name HD1%)
    (( segid "    " and resid 56   and name HN  ))
       2.800     2.800     3.200 peak     5 spectrum    4 weight  0.10000E+01 volume  0.59709E-03 ppm1     -1.197 ppm2      8.124 CV     1
  ASSI {    6}
    (  segid "    " and resid 101  and name HD1%)
    (( segid "    " and resid 47   and name HE1 ))
       3.100     1.200     1.200 peak     6 spectrum    4 weight  0.10000E+01 volume  0.21885E-02 ppm1     -1.196 ppm2      8.666 CV     1
  ASSI {    7}
    (  segid "    " and resid 101  and name HD1%)
    (( segid "    " and resid 101  and name HN  ))
       4.900     3.100     1.100 peak     7 spectrum    4 weight  0.10000E+01 volume  0.69965E-03 ppm1     -1.189 ppm2      8.545 CV     1
  ASSI {    8}
    (  segid "    " and resid 50   and name HD2%)
    (( segid "    " and resid 51   and name HN  ))
       4.400     2.400     1.600 peak     8 spectrum    4 weight  0.10000E+01 volume  0.10444E-02 ppm1     -0.813 ppm2      9.223 CV     1
  ASSI {    9}
    (  segid "    " and resid 50   and name HD2%)
    (( segid "    " and resid 83   and name HN  ))
       3.600     3.600     2.400 peak     9 spectrum    4 weight  0.10000E+01 volume  0.13969E-02 ppm1     -0.812 ppm2      7.973 CV     1
  ASSI {   10}
    (  segid "    " and resid 50   and name HD2%)
    (( segid "    " and resid 50   and name HN  ))
       4.500     2.600     1.500 peak    10 spectrum    4 weight  0.10000E+01 volume  0.37925E-03 ppm1     -0.808 ppm2      8.357 CV     1
  ASSI {   12}
    (  segid "    " and resid 50   and name HD2%)
    (( segid "    " and resid 80   and name HN  ))
       3.300     1.400     1.400 peak    12 spectrum    4 weight  0.10000E+01 volume  0.14964E-02 ppm1     -0.807 ppm2      7.835 CV     1
  ASSI {   13}
    (  segid "    " and resid 50   and name HD2%)
    (( segid "    " and resid 79   and name HN  ))
       3.400     1.400     1.400 peak    13 spectrum    4 weight  0.10000E+01 volume  0.12350E-02 ppm1     -0.802 ppm2      8.305 CV     1
  ASSI {   14}
    (  segid "    " and resid 48   and name HD1%)
    (( segid "    " and resid 76   and name HN  ))
       4.500     2.600     1.500 peak    14 spectrum    4 weight  0.10000E+01 volume  0.74817E-03 ppm1     -0.626 ppm2      9.327 CV     1
  ASSI {   15}
    (  segid "    " and resid 48   and name HD1%)
    (( segid "    " and resid 49   and name HN  ))
       4.400     2.500     1.600 peak    15 spectrum    4 weight  0.10000E+01 volume  0.68103E-03 ppm1     -0.605 ppm2      7.986 CV     1
  ASSI {   17}
    (  segid "    " and resid 48   and name HD1%)
    (( segid "    " and resid 48   and name HN  ))
       4.700     2.700     1.300 peak    17 spectrum    4 weight  0.10000E+01 volume  0.90908E-03 ppm1     -0.597 ppm2      8.455 CV     1
  ASSI {   18}
    (( segid "    " and resid 57   and name HG  ))
    (( segid "    " and resid 57   and name HN  ))
       4.100     2.100     1.900 peak    18 spectrum    4 weight  0.10000E+01 volume  0.94803E-03 ppm1     -0.522 ppm2      8.331 CV     1
  ASSI {   20}
    (( segid "    " and resid 48   and name HG  ))
    (( segid "    " and resid 48   and name HN  ))
       3.600     1.600     1.600 peak    20 spectrum    4 weight  0.10000E+01 volume  0.11460E-02 ppm1     -0.516 ppm2      8.455 CV     1
  ASSI {   21}
    (( segid "    " and resid 100  and name HG13))
    (( segid "    " and resid 100  and name HN  ))
       2.200     0.600     0.600 peak    21 spectrum    4 weight  0.10000E+01 volume  0.31554E-02 ppm1     -0.254 ppm2      6.817 CV     1
  ASSI {   23}
    (( segid "    " and resid 101  and name HG13))
    (( segid "    " and resid 101  and name HN  ))
       3.400     1.400     1.400 peak    23 spectrum    4 weight  0.10000E+01 volume  0.21458E-02 ppm1     -0.122 ppm2      8.546 CV     1
  ASSI {   24}
    (( segid "    " and resid 101  and name HG13))
    (( segid "    " and resid 102  and name HN  ))
       2.600     0.800     0.800 peak    24 spectrum    4 weight  0.10000E+01 volume  0.23992E-02 ppm1     -0.112 ppm2      7.294 CV     1
  ASSI {   26}
    (  segid "    " and resid 57   and name HD2%)
    (( segid "    " and resid 57   and name HN  ))
       3.300     1.400     1.400 peak    26 spectrum    4 weight  0.10000E+01 volume  0.10000E-02 ppm1     -0.098 ppm2      8.328 CV     1
  ASSI {   27}
    (  segid "    " and resid 57   and name HD2%)
    (( segid "    " and resid 58   and name HN  ))
       4.500     2.600     1.500 peak    27 spectrum    4 weight  0.10000E+01 volume  0.57763E-03 ppm1     -0.094 ppm2      8.641 CV     1
  ASSI {   28}
    (  segid "    " and resid 50   and name HD1%)
    (( segid "    " and resid 50   and name HN  ))
       4.200     2.200     1.800 peak    28 spectrum    4 weight  0.10000E+01 volume  0.11404E-02 ppm1     -0.065 ppm2      8.359 CV     1
  ASSI {   29}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 48   and name HN  ))
       3.400     1.500     1.500 peak    29 spectrum    4 weight  0.10000E+01 volume  0.93810E-03 ppm1      0.008 ppm2      8.454 CV     1
  ASSI {   30}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 55   and name HN  ))
       3.000     1.200     1.200 peak    30 spectrum    4 weight  0.10000E+01 volume  0.21066E-02 ppm1      0.009 ppm2      8.793 CV     1
  ASSI {   31}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 54   and name HN  ))
       3.600     1.600     1.600 peak    31 spectrum    4 weight  0.10000E+01 volume  0.12647E-02 ppm1      0.026 ppm2      8.241 CV     1
  ASSI {   32}
    (  segid "    " and resid 54   and name HG2%)
    (( segid "    " and resid 102  and name HN  ))
       3.500     3.500     2.500 peak    32 spectrum    4 weight  0.10000E+01 volume  0.21758E-02 ppm1      0.059 ppm2      7.297 CV     1
  ASSI {   33}
    (( segid "    " and resid 101  and name HG12))
    (( segid "    " and resid 101  and name HN  ))
       2.500     0.800     0.800 peak    33 spectrum    4 weight  0.10000E+01 volume  0.19233E-02 ppm1      0.118 ppm2      8.540 CV     1
  ASSI {   34}
    (( segid "    " and resid 50   and name HB3 ))
    (( segid "    " and resid 50   and name HN  ))
       4.200     2.200     1.800 peak    34 spectrum    4 weight  0.10000E+01 volume  0.83248E-03 ppm1      0.142 ppm2      8.363 CV     1
  ASSI {   35}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 49   and name HN  ))
       3.700     1.700     1.700 peak    35 spectrum    4 weight  0.10000E+01 volume  0.80807E-03 ppm1      0.150 ppm2      7.982 CV     1
  ASSI {   36}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 80   and name HN  ))
       3.500     1.500     1.500 peak    36 spectrum    4 weight  0.10000E+01 volume  0.17343E-02 ppm1      0.155 ppm2      7.835 CV     1
  ASSI {   37}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 82   and name HN  ))
       4.000     2.000     2.000 peak    37 spectrum    4 weight  0.10000E+01 volume  0.62935E-03 ppm1      0.155 ppm2      7.655 CV     1
  ASSI {   39}
    (  segid "    " and resid 79   and name HB% )
    (( segid "    " and resid 79   and name HN  ))
       2.700     0.900     0.900 peak    39 spectrum    4 weight  0.10000E+01 volume  0.34961E-02 ppm1      0.159 ppm2      8.306 CV     1
  ASSI {   42}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 30   and name HN  ))
       3.400     1.500     1.500 peak    42 spectrum    4 weight  0.10000E+01 volume  0.27823E-02 ppm1      0.322 ppm2      7.988 CV     1
  ASSI {   43}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 29   and name HN  ))
       3.200     1.300     1.300 peak    43 spectrum    4 weight  0.10000E+01 volume  0.21547E-02 ppm1      0.326 ppm2      7.679 CV     1
  ASSI {   44}
    (  segid "    " and resid 29   and name HG2%)
    (( segid "    " and resid 103  and name HN  ))
       4.000     2.000     2.000 peak    44 spectrum    4 weight  0.10000E+01 volume  0.82289E-03 ppm1      0.330 ppm2      8.987 CV     1
  ASSI {   45}
    (  segid "    " and resid 80   and name HG2%)
    (( segid "    " and resid 80   and name HN  ))
       3.000     1.100     1.100 peak    45 spectrum    4 weight  0.10000E+01 volume  0.14618E-02 ppm1      0.409 ppm2      7.836 CV     1
  ASSI {   46}
    (  segid "    " and resid 80   and name HG2%)
    (( segid "    " and resid 51   and name HN  ))
       3.200     3.200     2.800 peak    46 spectrum    4 weight  0.10000E+01 volume  0.23664E-02 ppm1      0.412 ppm2      9.221 CV     1
  ASSI {   47}
    (  segid "    " and resid 80   and name HG2%)
    (( segid "    " and resid 84   and name HN  ))
       4.400     2.400     1.600 peak    47 spectrum    4 weight  0.10000E+01 volume  0.36468E-03 ppm1      0.419 ppm2      8.752 CV     1
  ASSI {   48}
    (  segid "    " and resid 80   and name HG2%)
    (( segid "    " and resid 81   and name HN  ))
       3.100     1.200     1.200 peak    48 spectrum    4 weight  0.10000E+01 volume  0.29333E-02 ppm1      0.419 ppm2      8.523 CV     1
  ASSI {   50}
    (( segid "    " and resid 49   and name HG13))
    (( segid "    " and resid 49   and name HN  ))
       2.900     1.100     1.100 peak    50 spectrum    4 weight  0.10000E+01 volume  0.17539E-02 ppm1      0.493 ppm2      7.984 CV     1
  ASSI {   51}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 54   and name HN  ))
       2.700     0.900     0.900 peak    51 spectrum    4 weight  0.10000E+01 volume  0.32747E-02 ppm1      0.547 ppm2      8.244 CV     1
  ASSI {   53}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 55   and name HN  ))
       3.500     1.600     1.600 peak    53 spectrum    4 weight  0.10000E+01 volume  0.10910E-02 ppm1      0.559 ppm2      8.791 CV     1
  ASSI {   54}
    (  segid "    " and resid 54   and name HG1%)
    (( segid "    " and resid 104  and name HN  ))
       3.200     3.200     2.800 peak    54 spectrum    4 weight  0.10000E+01 volume  0.27187E-02 ppm1      0.566 ppm2      8.728 CV     1
  ASSI {   57}
    (  segid "    " and resid 49   and name HG2%)
    (( segid "    " and resid 52   and name HN  ))
       2.800     2.800     3.200 peak    57 spectrum    4 weight  0.10000E+01 volume  0.33999E-02 ppm1      0.632 ppm2      8.475 CV     1
  ASSI {   58}
    (  segid "    " and resid 49   and name HG2%)
    (( segid "    " and resid 50   and name HN  ))
       2.900     2.900     3.100 peak    58 spectrum    4 weight  0.10000E+01 volume  0.28636E-02 ppm1      0.634 ppm2      8.359 CV     1
  ASSI {   59}
    (  segid "    " and resid 29   and name HG1%)
    (( segid "    " and resid 30   and name HN  ))
       3.300     3.300     2.700 peak    59 spectrum    4 weight  0.10000E+01 volume  0.17168E-02 ppm1      0.640 ppm2      7.983 CV     1
  ASSI {   60}
    (  segid "    " and resid 49   and name HG2%)
    (( segid "    " and resid 53   and name HN  ))
       2.800     2.800     3.200 peak    60 spectrum    4 weight  0.10000E+01 volume  0.33099E-02 ppm1      0.646 ppm2      8.237 CV     1
  ASSI {   61}
    (  segid "    " and resid 29   and name HG1%)
    (( segid "    " and resid 29   and name HN  ))
       3.000     1.100     1.100 peak    61 spectrum    4 weight  0.10000E+01 volume  0.51791E-02 ppm1      0.647 ppm2      7.678 CV     1
  ASSI {   62}
    (  segid "    " and resid 101  and name HG2%)
    (( segid "    " and resid 47   and name HE1 ))
       4.000     2.000     2.000 peak    62 spectrum    4 weight  0.10000E+01 volume  0.88131E-03 ppm1      0.660 ppm2      8.665 CV     1
  ASSI {   63}
    (  segid "    " and resid 101  and name HG2%)
    (( segid "    " and resid 56   and name HN  ))
       3.100     3.100     2.900 peak    63 spectrum    4 weight  0.10000E+01 volume  0.18579E-02 ppm1      0.663 ppm2      8.129 CV     1
  ASSI {   65}
    (  segid "    " and resid 101  and name HG2%)
    (( segid "    " and resid 101  and name HN  ))
       2.700     2.700     3.300 peak    65 spectrum    4 weight  0.10000E+01 volume  0.35073E-02 ppm1      0.685 ppm2      8.544 CV     1
  ASSI {   67}
    (  segid "    " and resid 37   and name HD1%)
    (( segid "    " and resid 33   and name HN  ))
       4.100     2.100     1.900 peak    67 spectrum    4 weight  0.10000E+01 volume  0.86727E-03 ppm1      0.700 ppm2      9.093 CV     1
  ASSI {   72}
    (  segid "    " and resid 37   and name HD1%)
    (( segid "    " and resid 37   and name HN  ))
       3.200     1.300     1.300 peak    72 spectrum    4 weight  0.10000E+01 volume  0.45420E-02 ppm1      0.706 ppm2      8.429 CV     1
  OR {   72}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 37   and name HN  ))
  ASSI {   74}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 38   and name HN  ))
       3.400     1.400     1.400 peak    74 spectrum    4 weight  0.10000E+01 volume  0.22402E-02 ppm1      0.717 ppm2      8.093 CV     1
  OR {   74}
    (  segid "    " and resid 37   and name HD1%)
    (( segid "    " and resid 38   and name HN  ))
  ASSI {   75}
    (  segid "    " and resid 37   and name HG2%)
    (( segid "    " and resid 40   and name HN  ))
       3.900     1.900     1.900 peak    75 spectrum    4 weight  0.10000E+01 volume  0.82601E-03 ppm1      0.718 ppm2      7.756 CV     1
  ASSI {   79}
    (  segid "    " and resid 100  and name HD1%)
    (( segid "    " and resid 100  and name HN  ))
       3.200     1.300     1.300 peak    79 spectrum    4 weight  0.10000E+01 volume  0.53170E-02 ppm1      0.744 ppm2      6.817 CV     1
  OR {   79}
    (  segid "    " and resid 100  and name HG2%)
    (( segid "    " and resid 100  and name HN  ))
  ASSI {   82}
    (( segid "    " and resid 48   and name HB3 ))
    (( segid "    " and resid 76   and name HN  ))
       3.000     1.100     1.100 peak    82 spectrum    4 weight  0.10000E+01 volume  0.22163E-02 ppm1      0.751 ppm2      9.323 CV     1
  ASSI {   83}
    (  segid "    " and resid 46   and name HG2%)
    (( segid "    " and resid 42   and name HN  ))
       4.200     2.200     1.800 peak    83 spectrum    4 weight  0.10000E+01 volume  0.58354E-03 ppm1      0.757 ppm2      7.494 CV     1
  ASSI {   84}
    (( segid "    " and resid 71   and name HB3 ))
    (( segid "    " and resid 72   and name HN  ))
       3.400     1.500     1.500 peak    84 spectrum    4 weight  0.10000E+01 volume  0.28352E-02 ppm1      0.768 ppm2      8.384 CV     1
  ASSI {   85}
    (( segid "    " and resid 71   and name HB3 ))
    (( segid "    " and resid 71   and name HN  ))
       3.900     1.900     1.900 peak    85 spectrum    4 weight  0.10000E+01 volume  0.15378E-02 ppm1      0.769 ppm2      7.266 CV     1
  ASSI {   86}
    (  segid "    " and resid 46   and name HG2%)
    (( segid "    " and resid 47   and name HN  ))
       3.200     1.300     1.300 peak    86 spectrum    4 weight  0.10000E+01 volume  0.25335E-02 ppm1      0.772 ppm2      8.785 CV     1
  ASSI {   87}
    (  segid "    " and resid 48   and name HD2%)
    (( segid "    " and resid 48   and name HN  ))
       2.600     2.600     3.400 peak    87 spectrum    4 weight  0.10000E+01 volume  0.30307E-02 ppm1      0.777 ppm2      8.459 CV     1
  ASSI {   88}
    (  segid "    " and resid 46   and name HG2%)
    (( segid "    " and resid 46   and name HN  ))
       4.100     2.100     1.900 peak    88 spectrum    4 weight  0.10000E+01 volume  0.10018E-02 ppm1      0.780 ppm2      8.830 CV     1
  ASSI {   92}
    (( segid "    " and resid 74   and name HB3 ))
    (( segid "    " and resid 74   and name HN  ))
       3.200     1.300     1.300 peak    92 spectrum    4 weight  0.10000E+01 volume  0.43517E-02 ppm1      0.859 ppm2      6.621 CV     1
  ASSI {   93}
    (  segid "    " and resid 112  and name HD1%)
    (( segid "    " and resid 112  and name HN  ))
       2.300     2.300     3.700 peak    93 spectrum    4 weight  0.10000E+01 volume  0.22037E-02 ppm1      0.863 ppm2      7.454 CV     1
  OR {   93}
    (  segid "    " and resid 112  and name HD2%)
    (( segid "    " and resid 112  and name HN  ))
  ASSI {   95}
    (  segid "    " and resid 98   and name HG2%)
    (( segid "    " and resid 98   and name HN  ))
       2.900     2.900     3.100 peak    95 spectrum    4 weight  0.10000E+01 volume  0.48085E-02 ppm1      0.865 ppm2      7.419 CV     1
  ASSI {   97}
    (  segid "    " and resid 119  and name HD2%)
    (( segid "    " and resid 119  and name HN  ))
       4.700     2.700     1.300 peak    97 spectrum    4 weight  0.10000E+01 volume  0.36343E-03 ppm1      0.869 ppm2      8.181 CV     1
  OR {   97}
    (  segid "    " and resid 119  and name HD1%)
    (( segid "    " and resid 119  and name HN  ))
  ASSI {  100}
    (  segid "    " and resid 123  and name HG2%)
    (( segid "    " and resid 123  and name HN  ))
       3.800     1.800     1.800 peak   100 spectrum    4 weight  0.10000E+01 volume  0.16845E-02 ppm1      0.901 ppm2      8.107 CV     1
  OR {  100}
    (  segid "    " and resid 123  and name HD1%)
    (( segid "    " and resid 123  and name HN  ))
  ASSI {  107}
    (( segid "    " and resid 83   and name HB3 ))
    (( segid "    " and resid 84   and name HN  ))
       3.200     1.300     1.300 peak   107 spectrum    4 weight  0.10000E+01 volume  0.11304E-02 ppm1      0.932 ppm2      8.757 CV     1
  ASSI {  108}
    (( segid "    " and resid 83   and name HB3 ))
    (( segid "    " and resid 83   and name HN  ))
       2.600     0.800     0.800 peak   108 spectrum    4 weight  0.10000E+01 volume  0.37137E-02 ppm1      0.936 ppm2      7.974 CV     1
  ASSI {  109}
    (( segid "    " and resid 37   and name HG13))
    (( segid "    " and resid 37   and name HN  ))
       2.400     0.700     0.700 peak   109 spectrum    4 weight  0.10000E+01 volume  0.29529E-02 ppm1      0.941 ppm2      8.430 CV     1
  ASSI {  110}
    (( segid "    " and resid 83   and name HB3 ))
    (( segid "    " and resid 82   and name HN  ))
       4.700     2.800     1.300 peak   110 spectrum    4 weight  0.10000E+01 volume  0.61555E-03 ppm1      0.943 ppm2      7.656 CV     1
  ASSI {  111}
    (( segid "    " and resid 104  and name HB3 ))
    (( segid "    " and resid 104  and name HN  ))
       2.600     0.800     0.800 peak   111 spectrum    4 weight  0.10000E+01 volume  0.58775E-02 ppm1      0.957 ppm2      8.728 CV     1
  OR {  111}
    (  segid "    " and resid 104  and name HD2%)
    (( segid "    " and resid 104  and name HN  ))
  ASSI {  114}
    (  segid "    " and resid 57   and name HD1%)
    (( segid "    " and resid 57   and name HN  ))
       3.100     1.200     1.200 peak   114 spectrum    4 weight  0.10000E+01 volume  0.41687E-02 ppm1      0.978 ppm2      8.331 CV     1
  OR {  114}
    (( segid "    " and resid 57   and name HB3 ))
    (( segid "    " and resid 57   and name HN  ))
  ASSI {  116}
    (( segid "    " and resid 57   and name HB3 ))
    (( segid "    " and resid 58   and name HN  ))
       3.800     1.800     1.800 peak   116 spectrum    4 weight  0.10000E+01 volume  0.12758E-02 ppm1      0.984 ppm2      8.639 CV     1
  ASSI {  117}
    (( segid "    " and resid 54   and name HB  ))
    (( segid "    " and resid 102  and name HN  ))
       3.400     3.400     2.600 peak   117 spectrum    4 weight  0.10000E+01 volume  0.21202E-02 ppm1      0.986 ppm2      7.297 CV     1
  ASSI {  120}
    (( segid "    " and resid 54   and name HB  ))
    (( segid "    " and resid 54   and name HN  ))
       2.700     0.900     0.900 peak   120 spectrum    4 weight  0.10000E+01 volume  0.28923E-02 ppm1      1.008 ppm2      8.242 CV     1
  ASSI {  121}
    (( segid "    " and resid 54   and name HB  ))
    (( segid "    " and resid 103  and name HN  ))
       4.000     2.000     2.000 peak   121 spectrum    4 weight  0.10000E+01 volume  0.51591E-03 ppm1      1.011 ppm2      8.980 CV     1
  ASSI {  122}
    (( segid "    " and resid 109  and name HB3 ))
    (( segid "    " and resid 109  and name HN  ))
       3.000     1.100     1.100 peak   122 spectrum    4 weight  0.10000E+01 volume  0.24366E-02 ppm1      1.055 ppm2      7.213 CV     1
  OR {  122}
    (( segid "    " and resid 109  and name HG3 ))
    (( segid "    " and resid 109  and name HN  ))
  ASSI {  125}
    (( segid "    " and resid 30   and name HG2 ))
    (( segid "    " and resid 30   and name HN  ))
       3.200     1.300     1.300 peak   125 spectrum    4 weight  0.10000E+01 volume  0.18201E-02 ppm1      1.087 ppm2      7.989 CV     1
  OR {  125}
    (( segid "    " and resid 30   and name HG3 ))
    (( segid "    " and resid 30   and name HN  ))
  ASSI {  126}
    (( segid "    " and resid 30   and name HG2 ))
    (( segid "    " and resid 31   and name HN  ))
       3.600     1.700     1.700 peak   126 spectrum    4 weight  0.10000E+01 volume  0.12142E-02 ppm1      1.092 ppm2      8.052 CV     1
  OR {  126}
    (( segid "    " and resid 30   and name HG3 ))
    (( segid "    " and resid 31   and name HN  ))
  ASSI {  128}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 34   and name HN  ))
       3.700     1.700     1.700 peak   128 spectrum    4 weight  0.10000E+01 volume  0.25131E-02 ppm1      1.122 ppm2      9.699 CV     1
  ASSI {  129}
    (( segid "    " and resid 123  and name HG13))
    (( segid "    " and resid 123  and name HN  ))
       3.400     1.500     1.500 peak   129 spectrum    4 weight  0.10000E+01 volume  0.11442E-02 ppm1      1.161 ppm2      8.107 CV     1
  ASSI {  130}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 35   and name HN  ))
       4.000     2.000     2.000 peak   130 spectrum    4 weight  0.10000E+01 volume  0.19134E-02 ppm1      1.171 ppm2      8.366 CV     1
  ASSI {  131}
    (  segid "    " and resid 33   and name HG2%)
    (( segid "    " and resid 33   and name HN  ))
       2.600     2.600     3.400 peak   131 spectrum    4 weight  0.10000E+01 volume  0.54789E-02 ppm1      1.177 ppm2      9.092 CV     1
  ASSI {  132}
    (  segid "    " and resid 121  and name HG2%)
    (( segid "    " and resid 121  and name HN  ))
       4.100     2.100     1.900 peak   132 spectrum    4 weight  0.10000E+01 volume  0.64853E-03 ppm1      1.177 ppm2      8.224 CV     1
  ASSI {  133}
    (  segid "    " and resid 61   and name HD1%)
    (( segid "    " and resid 72   and name HN  ))
       3.400     3.400     2.600 peak   133 spectrum    4 weight  0.10000E+01 volume  0.15461E-02 ppm1      1.184 ppm2      8.385 CV     1
  OR {  133}
    (  segid "    " and resid 61   and name HD2%)
    (( segid "    " and resid 72   and name HN  ))
  ASSI {  134}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 48   and name HN  ))
       3.900     1.900     1.900 peak   134 spectrum    4 weight  0.10000E+01 volume  0.10132E-02 ppm1      1.191 ppm2      8.457 CV     1
  ASSI {  135}
    (  segid "    " and resid 61   and name HD2%)
    (( segid "    " and resid 61   and name HN  ))
       3.200     1.300     1.300 peak   135 spectrum    4 weight  0.10000E+01 volume  0.45794E-02 ppm1      1.211 ppm2      7.795 CV     1
  OR {  135}
    (  segid "    " and resid 61   and name HD1%)
    (( segid "    " and resid 61   and name HN  ))
  ASSI {  137}
    (  segid "    " and resid 61   and name HD2%)
    (( segid "    " and resid 62   and name HN  ))
       3.400     3.400     2.600 peak   137 spectrum    4 weight  0.10000E+01 volume  0.20386E-02 ppm1      1.222 ppm2      8.504 CV     1
  OR {  137}
    (  segid "    " and resid 61   and name HD1%)
    (( segid "    " and resid 62   and name HN  ))
  ASSI {  138}
    (( segid "    " and resid 48   and name HB2 ))
    (( segid "    " and resid 77   and name HN  ))
       3.600     1.700     1.700 peak   138 spectrum    4 weight  0.10000E+01 volume  0.95059E-03 ppm1      1.222 ppm2      7.369 CV     1
  ASSI {  139}
    (  segid "    " and resid 118  and name HG2%)
    (( segid "    " and resid 118  and name HN  ))
       4.300     2.300     1.700 peak   139 spectrum    4 weight  0.10000E+01 volume  0.32663E-03 ppm1      1.248 ppm2      8.093 CV     1
  ASSI {  140}
    (( segid "    " and resid 50   and name HB2 ))
    (( segid "    " and resid 51   and name HN  ))
       4.200     2.200     1.800 peak   140 spectrum    4 weight  0.10000E+01 volume  0.67624E-03 ppm1      1.263 ppm2      9.226 CV     1
  ASSI {  142}
    (  segid "    " and resid 28   and name HB% )
    (( segid "    " and resid 29   and name HN  ))
       3.300     1.300     1.300 peak   142 spectrum    4 weight  0.10000E+01 volume  0.33407E-02 ppm1      1.269 ppm2      7.679 CV     1
  ASSI {  143}
    (  segid "    " and resid 28   and name HB% )
    (( segid "    " and resid 28   and name HN  ))
       2.600     0.800     0.800 peak   143 spectrum    4 weight  0.10000E+01 volume  0.79630E-02 ppm1      1.273 ppm2      8.110 CV     1
  ASSI {  144}
    (( segid "    " and resid 49   and name HB  ))
    (( segid "    " and resid 49   and name HN  ))
       2.600     0.900     0.900 peak   144 spectrum    4 weight  0.10000E+01 volume  0.42219E-02 ppm1      1.275 ppm2      7.983 CV     1
  OR {  144}
    (( segid "    " and resid 49   and name HG12))
    (( segid "    " and resid 49   and name HN  ))
  ASSI {  147}
    (  segid "    " and resid 58   and name HG2%)
    (( segid "    " and resid 59   and name HN  ))
       3.900     1.900     1.900 peak   147 spectrum    4 weight  0.10000E+01 volume  0.94421E-03 ppm1      1.305 ppm2      8.893 CV     1
  ASSI {  148}
    (  segid "    " and resid 58   and name HG2%)
    (( segid "    " and resid 58   and name HN  ))
       3.400     1.400     1.400 peak   148 spectrum    4 weight  0.10000E+01 volume  0.18509E-02 ppm1      1.306 ppm2      8.641 CV     1
  ASSI {  149}
    (  segid "    " and resid 58   and name HG2%)
    (( segid "    " and resid 46   and name HN  ))
       3.200     3.200     2.800 peak   149 spectrum    4 weight  0.10000E+01 volume  0.23160E-02 ppm1      1.308 ppm2      8.832 CV     1
  ASSI {  152}
    (( segid "    " and resid 100  and name HG12))
    (( segid "    " and resid 99   and name HN  ))
       4.900     3.000     1.100 peak   152 spectrum    4 weight  0.10000E+01 volume  0.17788E-02 ppm1      1.341 ppm2      7.286 CV     1
  ASSI {  153}
    (( segid "    " and resid 53   and name HB3 ))
    (( segid "    " and resid 54   and name HN  ))
       2.800     1.000     1.000 peak   153 spectrum    4 weight  0.10000E+01 volume  0.27815E-02 ppm1      1.343 ppm2      8.245 CV     1
  ASSI {  155}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 77   and name HN  ))
       4.700     2.800     1.300 peak   155 spectrum    4 weight  0.10000E+01 volume  0.10159E-02 ppm1      1.363 ppm2      7.365 CV     1
  ASSI {  156}
    (  segid "    " and resid 22   and name HB% )
    (( segid "    " and resid 23   and name HN  ))
       3.700     1.800     1.800 peak   156 spectrum    4 weight  0.10000E+01 volume  0.69324E-03 ppm1      1.365 ppm2      8.322 CV     1
  ASSI {  157}
    (( segid "    " and resid 39   and name HG3 ))
    (( segid "    " and resid 39   and name HN  ))
       2.600     0.800     0.800 peak   157 spectrum    4 weight  0.10000E+01 volume  0.63816E-02 ppm1      1.366 ppm2      7.140 CV     1
  OR {  157}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  158}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 47   and name HN  ))
       3.300     1.400     1.400 peak   158 spectrum    4 weight  0.10000E+01 volume  0.14413E-02 ppm1      1.367 ppm2      8.784 CV     1
  ASSI {  160}
    (  segid "    " and resid 22   and name HB% )
    (( segid "    " and resid 22   and name HN  ))
       3.600     1.600     1.600 peak   160 spectrum    4 weight  0.10000E+01 volume  0.96855E-03 ppm1      1.370 ppm2      8.226 CV     1
  ASSI {  161}
    (( segid "    " and resid 53   and name HB3 ))
    (( segid "    " and resid 53   and name HN  ))
       3.100     1.200     1.200 peak   161 spectrum    4 weight  0.10000E+01 volume  0.59771E-02 ppm1      1.371 ppm2      8.233 CV     1
  ASSI {  162}
    (( segid "    " and resid 39   and name HB3 ))
    (( segid "    " and resid 42   and name HN  ))
       3.100     3.100     2.900 peak   162 spectrum    4 weight  0.10000E+01 volume  0.12167E-02 ppm1      1.380 ppm2      7.488 CV     1
  OR {  162}
    (( segid "    " and resid 39   and name HG3 ))
    (( segid "    " and resid 42   and name HN  ))
  ASSI {  163}
    (( segid "    " and resid 100  and name HB  ))
    (( segid "    " and resid 100  and name HN  ))
       2.400     0.700     0.700 peak   163 spectrum    4 weight  0.10000E+01 volume  0.11059E-01 ppm1      1.382 ppm2      6.818 CV     1
  OR {  163}
    (( segid "    " and resid 100  and name HG12))
    (( segid "    " and resid 100  and name HN  ))
  ASSI {  165}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 76   and name HN  ))
       3.100     1.200     1.200 peak   165 spectrum    4 weight  0.10000E+01 volume  0.31822E-02 ppm1      1.386 ppm2      9.324 CV     1
  ASSI {  167}
    (  segid "    " and resid 75   and name HB% )
    (( segid "    " and resid 75   and name HN  ))
       2.100     2.100     3.900 peak   167 spectrum    4 weight  0.10000E+01 volume  0.14010E-01 ppm1      1.389 ppm2      6.875 CV     1
  ASSI {  169}
    (( segid "    " and resid 74   and name HG3 ))
    (( segid "    " and resid 74   and name HE21))
       3.400     1.400     1.400 peak   169 spectrum    4 weight  0.10000E+01 volume  0.10274E-02 ppm1      1.397 ppm2      6.373 CV     1
  ASSI {  170}
    (( segid "    " and resid 74   and name HG3 ))
    (( segid "    " and resid 74   and name HE22))
       3.800     1.800     1.800 peak   170 spectrum    4 weight  0.10000E+01 volume  0.16865E-02 ppm1      1.403 ppm2      7.268 CV     1
  ASSI {  173}
    (( segid "    " and resid 100  and name HB  ))
    (( segid "    " and resid 98   and name HN  ))
       4.300     2.300     1.700 peak   173 spectrum    4 weight  0.10000E+01 volume  0.10741E-02 ppm1      1.454 ppm2      7.417 CV     1
  ASSI {  174}
    (( segid "    " and resid 111  and name HG2 ))
    (( segid "    " and resid 111  and name HN  ))
       2.900     1.100     1.100 peak   174 spectrum    4 weight  0.10000E+01 volume  0.32987E-02 ppm1      1.462 ppm2      7.543 CV     1
  OR {  174}
    (( segid "    " and resid 111  and name HG3 ))
    (( segid "    " and resid 111  and name HN  ))
  ASSI {  181}
    (( segid "    " and resid 123  and name HG12))
    (( segid "    " and resid 123  and name HN  ))
       3.300     1.400     1.400 peak   181 spectrum    4 weight  0.10000E+01 volume  0.14703E-02 ppm1      1.510 ppm2      8.105 CV     1
  ASSI {  182}
    (  segid "    " and resid 70   and name HG1%)
    (( segid "    " and resid 70   and name HN  ))
       2.600     0.800     0.800 peak   182 spectrum    4 weight  0.10000E+01 volume  0.56078E-02 ppm1      1.511 ppm2      9.218 CV     1
  OR {  182}
    (  segid "    " and resid 70   and name HG2%)
    (( segid "    " and resid 70   and name HN  ))
  ASSI {  184}
    (( segid "    " and resid 34   and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
       2.500     0.800     0.800 peak   184 spectrum    4 weight  0.10000E+01 volume  0.50025E-02 ppm1      1.520 ppm2      9.700 CV     1
  ASSI {  185}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 40   and name HN  ))
       3.000     1.100     1.100 peak   185 spectrum    4 weight  0.10000E+01 volume  0.26266E-02 ppm1      1.524 ppm2      7.756 CV     1
  OR {  185}
    (( segid "    " and resid 39   and name HG2 ))
    (( segid "    " and resid 40   and name HN  ))
  ASSI {  186}
    (  segid "    " and resid 70   and name HG1%)
    (( segid "    " and resid 69   and name HN  ))
       4.200     2.200     1.800 peak   186 spectrum    4 weight  0.10000E+01 volume  0.74683E-03 ppm1      1.529 ppm2      9.522 CV     1
  OR {  186}
    (  segid "    " and resid 70   and name HG2%)
    (( segid "    " and resid 69   and name HN  ))
  ASSI {  187}
    (( segid "    " and resid 97   and name HG3 ))
    (( segid "    " and resid 97   and name HN  ))
       2.400     0.700     0.700 peak   187 spectrum    4 weight  0.10000E+01 volume  0.41191E-02 ppm1      1.535 ppm2      7.193 CV     1
  ASSI {  188}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
       2.200     0.600     0.600 peak   188 spectrum    4 weight  0.10000E+01 volume  0.10854E-01 ppm1      1.551 ppm2      7.140 CV     1
  OR {  188}
    (( segid "    " and resid 39   and name HG2 ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  192}
    (  segid "    " and resid 90   and name HG2%)
    (( segid "    " and resid 90   and name HN  ))
       3.800     1.800     1.800 peak   192 spectrum    4 weight  0.10000E+01 volume  0.73095E-03 ppm1      1.553 ppm2      9.255 CV     1
  ASSI {  193}
    (( segid "    " and resid 30   and name HB3 ))
    (( segid "    " and resid 31   and name HN  ))
       2.900     1.000     1.000 peak   193 spectrum    4 weight  0.10000E+01 volume  0.39756E-02 ppm1      1.559 ppm2      8.047 CV     1
  OR {  193}
    (( segid "    " and resid 30   and name HB2 ))
    (( segid "    " and resid 31   and name HN  ))
  ASSI {  194}
    (( segid "    " and resid 39   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
       2.300     0.600     0.600 peak   194 spectrum    4 weight  0.10000E+01 volume  0.10854E-01 ppm1      1.560 ppm2      7.139 CV     1
  OR {  194}
    (( segid "    " and resid 39   and name HG2 ))
    (( segid "    " and resid 39   and name HN  ))
  OR {  194}
    (( segid "    " and resid 39   and name HD3 ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  199}
    (( segid "    " and resid 97   and name HG3 ))
    (( segid "    " and resid 94   and name HN  ))
       3.400     1.400     1.400 peak   199 spectrum    4 weight  0.10000E+01 volume  0.10668E-02 ppm1      1.573 ppm2      9.033 CV     1
  ASSI {  200}
    (( segid "    " and resid 29   and name HB  ))
    (( segid "    " and resid 29   and name HN  ))
       2.400     0.700     0.700 peak   200 spectrum    4 weight  0.10000E+01 volume  0.83544E-02 ppm1      1.574 ppm2      7.679 CV     1
  ASSI {  201}
    (( segid "    " and resid 109  and name HB2 ))
    (( segid "    " and resid 109  and name HN  ))
       2.500     0.800     0.800 peak   201 spectrum    4 weight  0.10000E+01 volume  0.32009E-02 ppm1      1.581 ppm2      7.209 CV     1
  ASSI {  203}
    (( segid "    " and resid 53   and name HD3 ))
    (( segid "    " and resid 54   and name HN  ))
       4.000     2.000     2.000 peak   203 spectrum    4 weight  0.10000E+01 volume  0.13328E-02 ppm1      1.590 ppm2      8.242 CV     1
  OR {  203}
    (( segid "    " and resid 53   and name HD2 ))
    (( segid "    " and resid 54   and name HN  ))
  ASSI {  204}
    (( segid "    " and resid 44   and name HG3 ))
    (( segid "    " and resid 45   and name HN  ))
       3.700     1.700     1.700 peak   204 spectrum    4 weight  0.10000E+01 volume  0.12778E-02 ppm1      1.595 ppm2      7.030 CV     1
  ASSI {  207}
    (( segid "    " and resid 39   and name HG2 ))
    (( segid "    " and resid 39   and name HN  ))
       2.500     0.800     0.800 peak   207 spectrum    4 weight  0.10000E+01 volume  0.97578E-02 ppm1      1.603 ppm2      7.140 CV     1
  OR {  207}
    (( segid "    " and resid 39   and name HD3 ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  208}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
       3.600     1.600     1.600 peak   208 spectrum    4 weight  0.10000E+01 volume  0.13850E-02 ppm1      1.604 ppm2      7.588 CV     1
  OR {  208}
    (( segid "    " and resid 34   and name HG  ))
    (( segid "    " and resid 36   and name HN  ))
  ASSI {  209}
    (( segid "    " and resid 44   and name HG2 ))
    (( segid "    " and resid 44   and name HN  ))
       3.600     1.600     1.600 peak   209 spectrum    4 weight  0.10000E+01 volume  0.84930E-03 ppm1      1.612 ppm2      8.408 CV     1
  OR {  209}
    (( segid "    " and resid 44   and name HG3 ))
    (( segid "    " and resid 44   and name HN  ))
  ASSI {  211}
    (( segid "    " and resid 119  and name HB2 ))
    (( segid "    " and resid 119  and name HN  ))
       3.000     1.100     1.100 peak   211 spectrum    4 weight  0.10000E+01 volume  0.27500E-02 ppm1      1.614 ppm2      8.181 CV     1
  OR {  211}
    (( segid "    " and resid 119  and name HB3 ))
    (( segid "    " and resid 119  and name HN  ))
  OR {  211}
    (( segid "    " and resid 119  and name HG  ))
    (( segid "    " and resid 119  and name HN  ))
  ASSI {  214}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
       2.400     0.700     0.700 peak   214 spectrum    4 weight  0.10000E+01 volume  0.57451E-02 ppm1      1.615 ppm2      9.699 CV     1
  ASSI {  217}
    (( segid "    " and resid 34   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       2.900     1.100     1.100 peak   217 spectrum    4 weight  0.10000E+01 volume  0.55661E-02 ppm1      1.619 ppm2      8.365 CV     1
  OR {  217}
    (( segid "    " and resid 34   and name HG  ))
    (( segid "    " and resid 35   and name HN  ))
  ASSI {  218}
    (( segid "    " and resid 34   and name HG  ))
    (( segid "    " and resid 38   and name HE21))
       4.300     2.300     1.700 peak   218 spectrum    4 weight  0.10000E+01 volume  0.50224E-03 ppm1      1.643 ppm2      6.658 CV     1
  ASSI {  221}
    (( segid "    " and resid 103  and name HB3 ))
    (( segid "    " and resid 103  and name HN  ))
       2.900     1.000     1.000 peak   221 spectrum    4 weight  0.10000E+01 volume  0.20487E-02 ppm1      1.655 ppm2      8.986 CV     1
  ASSI {  222}
    (( segid "    " and resid 57   and name HB2 ))
    (( segid "    " and resid 61   and name HN  ))
       3.800     1.800     1.800 peak   222 spectrum    4 weight  0.10000E+01 volume  0.10890E-02 ppm1      1.668 ppm2      7.795 CV     1
  ASSI {  223}
    (( segid "    " and resid 59   and name HG2 ))
    (( segid "    " and resid 59   and name HN  ))
       3.200     1.300     1.300 peak   223 spectrum    4 weight  0.10000E+01 volume  0.19126E-02 ppm1      1.669 ppm2      8.895 CV     1
  OR {  223}
    (( segid "    " and resid 59   and name HG3 ))
    (( segid "    " and resid 59   and name HN  ))
  ASSI {  226}
    (( segid "    " and resid 104  and name HB2 ))
    (( segid "    " and resid 107  and name HN  ))
       3.200     1.300     1.300 peak   226 spectrum    4 weight  0.10000E+01 volume  0.24499E-02 ppm1      1.680 ppm2     10.913 CV     1
  OR {  226}
    (( segid "    " and resid 104  and name HG  ))
    (( segid "    " and resid 107  and name HN  ))
  ASSI {  229}
    (( segid "    " and resid 112  and name HB3 ))
    (( segid "    " and resid 112  and name HN  ))
       2.500     0.800     0.800 peak   229 spectrum    4 weight  0.10000E+01 volume  0.79823E-02 ppm1      1.688 ppm2      7.452 CV     1
  OR {  229}
    (( segid "    " and resid 112  and name HB2 ))
    (( segid "    " and resid 112  and name HN  ))
  ASSI {  232}
    (( segid "    " and resid 57   and name HB2 ))
    (( segid "    " and resid 57   and name HN  ))
       2.700     0.900     0.900 peak   232 spectrum    4 weight  0.10000E+01 volume  0.22292E-02 ppm1      1.690 ppm2      8.328 CV     1
  ASSI {  233}
    (( segid "    " and resid 72   and name HG3 ))
    (( segid "    " and resid 72   and name HN  ))
       2.700     0.900     0.900 peak   233 spectrum    4 weight  0.10000E+01 volume  0.17189E-02 ppm1      1.694 ppm2      8.383 CV     1
  ASSI {  234}
    (( segid "    " and resid 57   and name HB2 ))
    (( segid "    " and resid 58   and name HN  ))
       3.100     1.200     1.200 peak   234 spectrum    4 weight  0.10000E+01 volume  0.82539E-03 ppm1      1.702 ppm2      8.640 CV     1
  ASSI {  235}
    (( segid "    " and resid 114  and name HB3 ))
    (( segid "    " and resid 109  and name HN  ))
       1.800     1.800     4.200 peak   235 spectrum    4 weight  0.10000E+01 volume  0.78771E-02 ppm1      1.742 ppm2      7.208 CV     1
  OR {  235}
    (( segid "    " and resid 114  and name HB2 ))
    (( segid "    " and resid 109  and name HN  ))
  OR {  235}
    (( segid "    " and resid 114  and name HD2 ))
    (( segid "    " and resid 109  and name HN  ))
  ASSI {  236}
    (( segid "    " and resid 114  and name HB2 ))
    (( segid "    " and resid 114  and name HN  ))
       2.700     0.900     0.900 peak   236 spectrum    4 weight  0.10000E+01 volume  0.47568E-02 ppm1      1.742 ppm2      8.120 CV     1
  OR {  236}
    (( segid "    " and resid 114  and name HB3 ))
    (( segid "    " and resid 114  and name HN  ))
  ASSI {  241}
    (( segid "    " and resid 82   and name HB3 ))
    (( segid "    " and resid 82   and name HD21))
       3.100     1.200     1.200 peak   241 spectrum    4 weight  0.10000E+01 volume  0.16470E-02 ppm1      1.758 ppm2      6.689 CV     1
  ASSI {  242}
    (( segid "    " and resid 56   and name HB3 ))
    (( segid "    " and resid 47   and name HE1 ))
       3.600     1.700     1.700 peak   242 spectrum    4 weight  0.10000E+01 volume  0.25443E-02 ppm1      1.772 ppm2      8.666 CV     1
  ASSI {  245}
    (( segid "    " and resid 56   and name HB3 ))
    (( segid "    " and resid 56   and name HN  ))
       2.800     1.000     1.000 peak   245 spectrum    4 weight  0.10000E+01 volume  0.25655E-02 ppm1      1.792 ppm2      8.130 CV     1
  ASSI {  247}
    (( segid "    " and resid 37   and name HB  ))
    (( segid "    " and resid 37   and name HN  ))
       2.500     0.800     0.800 peak   247 spectrum    4 weight  0.10000E+01 volume  0.48328E-02 ppm1      1.809 ppm2      8.431 CV     1
  ASSI {  248}
    (( segid "    " and resid 74   and name HB2 ))
    (( segid "    " and resid 74   and name HN  ))
       2.400     0.700     0.700 peak   248 spectrum    4 weight  0.10000E+01 volume  0.38221E-02 ppm1      1.809 ppm2      6.622 CV     1
  ASSI {  251}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 41   and name HN  ))
       4.000     2.000     2.000 peak   251 spectrum    4 weight  0.10000E+01 volume  0.99988E-03 ppm1      1.826 ppm2      7.395 CV     1
  ASSI {  252}
    (( segid "    " and resid 40   and name HB3 ))
    (( segid "    " and resid 40   and name HN  ))
       3.700     1.700     1.700 peak   252 spectrum    4 weight  0.10000E+01 volume  0.24543E-02 ppm1      1.833 ppm2      7.753 CV     1
  ASSI {  253}
    (( segid "    " and resid 97   and name HG2 ))
    (( segid "    " and resid 97   and name HN  ))
       2.300     0.700     0.700 peak   253 spectrum    4 weight  0.10000E+01 volume  0.13117E-01 ppm1      1.834 ppm2      7.190 CV     1
  OR {  253}
    (( segid "    " and resid 97   and name HB2 ))
    (( segid "    " and resid 97   and name HN  ))
  OR {  253}
    (( segid "    " and resid 97   and name HB3 ))
    (( segid "    " and resid 97   and name HN  ))
  ASSI {  258}
    (( segid "    " and resid 81   and name HB3 ))
    (( segid "    " and resid 80   and name HN  ))
       4.600     2.700     1.400 peak   258 spectrum    4 weight  0.10000E+01 volume  0.59033E-03 ppm1      1.835 ppm2      7.834 CV     1
  OR {  258}
    (( segid "    " and resid 81   and name HB2 ))
    (( segid "    " and resid 80   and name HN  ))
  ASSI {  261}
    (( segid "    " and resid 81   and name HB3 ))
    (( segid "    " and resid 81   and name HN  ))
       2.200     0.600     0.600 peak   261 spectrum    4 weight  0.10000E+01 volume  0.14282E-01 ppm1      1.856 ppm2      8.522 CV     1
  OR {  261}
    (( segid "    " and resid 81   and name HB2 ))
    (( segid "    " and resid 81   and name HN  ))
  ASSI {  263}
    (( segid "    " and resid 44   and name HB3 ))
    (( segid "    " and resid 45   and name HN  ))
       3.700     1.700     1.700 peak   263 spectrum    4 weight  0.10000E+01 volume  0.18269E-02 ppm1      1.863 ppm2      7.031 CV     1
  ASSI {  265}
    (( segid "    " and resid 97   and name HB2 ))
    (( segid "    " and resid 98   and name HN  ))
       2.900     1.000     1.000 peak   265 spectrum    4 weight  0.10000E+01 volume  0.37390E-02 ppm1      1.870 ppm2      7.420 CV     1
  OR {  265}
    (( segid "    " and resid 97   and name HB3 ))
    (( segid "    " and resid 98   and name HN  ))
  ASSI {  266}
    (( segid "    " and resid 27   and name HB2 ))
    (( segid "    " and resid 27   and name HN  ))
       2.700     0.900     0.900 peak   266 spectrum    4 weight  0.10000E+01 volume  0.49988E-02 ppm1      1.873 ppm2      8.176 CV     1
  OR {  266}
    (( segid "    " and resid 27   and name HB3 ))
    (( segid "    " and resid 27   and name HN  ))
  ASSI {  268}
    (( segid "    " and resid 44   and name HB3 ))
    (( segid "    " and resid 44   and name HN  ))
       4.200     2.200     1.800 peak   268 spectrum    4 weight  0.10000E+01 volume  0.99664E-03 ppm1      1.877 ppm2      8.408 CV     1
  ASSI {  269}
    (( segid "    " and resid 111  and name HB2 ))
    (( segid "    " and resid 111  and name HN  ))
       2.600     0.900     0.900 peak   269 spectrum    4 weight  0.10000E+01 volume  0.47117E-02 ppm1      1.889 ppm2      7.543 CV     1
  OR {  269}
    (( segid "    " and resid 111  and name HB3 ))
    (( segid "    " and resid 111  and name HN  ))
  ASSI {  273}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
       4.300     2.300     1.700 peak   273 spectrum    4 weight  0.10000E+01 volume  0.93206E-03 ppm1      1.909 ppm2      9.701 CV     1
  ASSI {  276}
    (( segid "    " and resid 59   and name HD3 ))
    (( segid "    " and resid 59   and name HN  ))
       3.400     1.400     1.400 peak   276 spectrum    4 weight  0.10000E+01 volume  0.20015E-02 ppm1      1.913 ppm2      8.890 CV     1
  OR {  276}
    (( segid "    " and resid 59   and name HD2 ))
    (( segid "    " and resid 59   and name HN  ))
  ASSI {  277}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
       2.700     0.900     0.900 peak   277 spectrum    4 weight  0.10000E+01 volume  0.50243E-02 ppm1      1.936 ppm2      7.590 CV     1
  OR {  277}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 36   and name HN  ))
  ASSI {  279}
    (( segid "    " and resid 35   and name HB2 ))
    (( segid "    " and resid 35   and name HN  ))
       2.200     0.600     0.600 peak   279 spectrum    4 weight  0.10000E+01 volume  0.13601E-01 ppm1      1.954 ppm2      8.364 CV     1
  OR {  279}
    (( segid "    " and resid 35   and name HB3 ))
    (( segid "    " and resid 35   and name HN  ))
  ASSI {  282}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 23   and name HN  ))
       3.100     1.200     1.200 peak   282 spectrum    4 weight  0.10000E+01 volume  0.21543E-02 ppm1      1.957 ppm2      8.325 CV     1
  OR {  282}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 23   and name HN  ))
  ASSI {  288}
    (( segid "    " and resid 38   and name HB3 ))
    (( segid "    " and resid 38   and name HE21))
       4.100     2.100     1.900 peak   288 spectrum    4 weight  0.10000E+01 volume  0.41344E-03 ppm1      1.965 ppm2      6.658 CV     1
  ASSI {  290}
    (( segid "    " and resid 59   and name HB3 ))
    (( segid "    " and resid 59   and name HN  ))
       3.500     1.500     1.500 peak   290 spectrum    4 weight  0.10000E+01 volume  0.23846E-02 ppm1      1.971 ppm2      8.895 CV     1
  ASSI {  291}
    (( segid "    " and resid 23   and name HB2 ))
    (( segid "    " and resid 28   and name HN  ))
       3.300     1.400     1.400 peak   291 spectrum    4 weight  0.10000E+01 volume  0.14995E-02 ppm1      1.972 ppm2      8.113 CV     1
  OR {  291}
    (( segid "    " and resid 23   and name HB3 ))
    (( segid "    " and resid 28   and name HN  ))
  ASSI {  292}
    (( segid "    " and resid 117  and name HB3 ))
    (( segid "    " and resid 117  and name HN  ))
       2.800     1.000     1.000 peak   292 spectrum    4 weight  0.10000E+01 volume  0.44915E-02 ppm1      1.975 ppm2      8.569 CV     1
  OR {  292}
    (( segid "    " and resid 117  and name HB2 ))
    (( segid "    " and resid 117  and name HN  ))
  ASSI {  294}
    (( segid "    " and resid 120  and name HB  ))
    (( segid "    " and resid 120  and name HN  ))
       3.300     1.400     1.400 peak   294 spectrum    4 weight  0.10000E+01 volume  0.13298E-02 ppm1      1.978 ppm2      8.121 CV     1
  ASSI {  295}
    (( segid "    " and resid 72   and name HB3 ))
    (( segid "    " and resid 72   and name HN  ))
       2.300     0.700     0.700 peak   295 spectrum    4 weight  0.10000E+01 volume  0.11614E-01 ppm1      1.980 ppm2      8.384 CV     1
  OR {  295}
    (( segid "    " and resid 72   and name HG2 ))
    (( segid "    " and resid 72   and name HN  ))
  OR {  295}
    (( segid "    " and resid 72   and name HB2 ))
    (( segid "    " and resid 72   and name HN  ))
  ASSI {  299}
    (( segid "    " and resid 72   and name HB3 ))
    (( segid "    " and resid 71   and name HN  ))
       4.000     2.000     2.000 peak   299 spectrum    4 weight  0.10000E+01 volume  0.83853E-03 ppm1      1.982 ppm2      7.266 CV     1
  OR {  299}
    (( segid "    " and resid 72   and name HB2 ))
    (( segid "    " and resid 71   and name HN  ))
  ASSI {  300}
    (( segid "    " and resid 59   and name HB3 ))
    (( segid "    " and resid 60   and name HN  ))
       3.300     1.400     1.400 peak   300 spectrum    4 weight  0.10000E+01 volume  0.20221E-02 ppm1      2.000 ppm2      8.081 CV     1
  ASSI {  301}
    (( segid "    " and resid 74   and name HG2 ))
    (( segid "    " and resid 74   and name HE21))
       2.800     1.000     1.000 peak   301 spectrum    4 weight  0.10000E+01 volume  0.27322E-02 ppm1      2.002 ppm2      6.369 CV     1
  ASSI {  302}
    (( segid "    " and resid 74   and name HG2 ))
    (( segid "    " and resid 74   and name HE22))
       3.300     1.400     1.400 peak   302 spectrum    4 weight  0.10000E+01 volume  0.35285E-02 ppm1      2.009 ppm2      7.269 CV     1
  ASSI {  303}
    (( segid "    " and resid 37   and name HG12))
    (( segid "    " and resid 37   and name HN  ))
       2.900     1.000     1.000 peak   303 spectrum    4 weight  0.10000E+01 volume  0.45797E-02 ppm1      2.011 ppm2      8.431 CV     1
  ASSI {  304}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 48   and name HN  ))
       3.800     1.800     1.800 peak   304 spectrum    4 weight  0.10000E+01 volume  0.11807E-02 ppm1      2.029 ppm2      8.458 CV     1
  ASSI {  305}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 38   and name HE22))
       5.100     3.300     0.900 peak   305 spectrum    4 weight  0.10000E+01 volume  0.71289E-03 ppm1      2.035 ppm2      7.304 CV     1
  ASSI {  306}
    (( segid "    " and resid 55   and name HB2 ))
    (( segid "    " and resid 55   and name HN  ))
       2.700     0.900     0.900 peak   306 spectrum    4 weight  0.10000E+01 volume  0.21374E-02 ppm1      2.035 ppm2      8.796 CV     1
  ASSI {  307}
    (( segid "    " and resid 61   and name HB3 ))
    (( segid "    " and resid 61   and name HN  ))
       2.900     1.100     1.100 peak   307 spectrum    4 weight  0.10000E+01 volume  0.40485E-02 ppm1      2.057 ppm2      7.794 CV     1
  ASSI {  308}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 38   and name HN  ))
       2.200     0.600     0.600 peak   308 spectrum    4 weight  0.10000E+01 volume  0.72665E-02 ppm1      2.058 ppm2      8.091 CV     1
  ASSI {  309}
    (( segid "    " and resid 61   and name HB3 ))
    (( segid "    " and resid 62   and name HN  ))
       3.000     1.100     1.100 peak   309 spectrum    4 weight  0.10000E+01 volume  0.44726E-02 ppm1      2.062 ppm2      8.504 CV     1
  ASSI {  310}
    (( segid "    " and resid 53   and name HB2 ))
    (( segid "    " and resid 50   and name HN  ))
       3.700     1.700     1.700 peak   310 spectrum    4 weight  0.10000E+01 volume  0.64934E-03 ppm1      2.093 ppm2      8.355 CV     1
  ASSI {  311}
    (( segid "    " and resid 38   and name HB2 ))
    (( segid "    " and resid 39   and name HN  ))
       3.100     1.200     1.200 peak   311 spectrum    4 weight  0.10000E+01 volume  0.18380E-02 ppm1      2.093 ppm2      7.142 CV     1
  ASSI {  312}
    (( segid "    " and resid 53   and name HB2 ))
    (( segid "    " and resid 53   and name HN  ))
       2.400     0.700     0.700 peak   312 spectrum    4 weight  0.10000E+01 volume  0.54587E-02 ppm1      2.098 ppm2      8.234 CV     1
  ASSI {  314}
    (( segid "    " and resid 44   and name HB2 ))
    (( segid "    " and resid 45   and name HN  ))
       3.300     1.400     1.400 peak   314 spectrum    4 weight  0.10000E+01 volume  0.14753E-02 ppm1      2.142 ppm2      7.031 CV     1
  ASSI {  315}
    (( segid "    " and resid 44   and name HB2 ))
    (( segid "    " and resid 44   and name HN  ))
       3.300     1.300     1.300 peak   315 spectrum    4 weight  0.10000E+01 volume  0.70610E-03 ppm1      2.143 ppm2      8.408 CV     1
  ASSI {  316}
    (( segid "    " and resid 27   and name HG3 ))
    (( segid "    " and resid 27   and name HN  ))
       3.800     1.800     1.800 peak   316 spectrum    4 weight  0.10000E+01 volume  0.20108E-02 ppm1      2.147 ppm2      8.177 CV     1
  OR {  316}
    (( segid "    " and resid 27   and name HG2 ))
    (( segid "    " and resid 27   and name HN  ))
  ASSI {  318}
    (( segid "    " and resid 103  and name HB2 ))
    (( segid "    " and resid 103  and name HN  ))
       3.100     1.200     1.200 peak   318 spectrum    4 weight  0.10000E+01 volume  0.22002E-02 ppm1      2.157 ppm2      8.985 CV     1
  OR {  318}
    (( segid "    " and resid 103  and name HG2 ))
    (( segid "    " and resid 103  and name HN  ))
  ASSI {  321}
    (( segid "    " and resid 103  and name HG3 ))
    (( segid "    " and resid 104  and name HN  ))
       2.600     0.800     0.800 peak   321 spectrum    4 weight  0.10000E+01 volume  0.43206E-02 ppm1      2.160 ppm2      8.727 CV     1
  OR {  321}
    (( segid "    " and resid 103  and name HG2 ))
    (( segid "    " and resid 104  and name HN  ))
  ASSI {  322}
    (( segid "    " and resid 103  and name HG2 ))
    (( segid "    " and resid 107  and name HN  ))
       3.700     3.700     2.300 peak   322 spectrum    4 weight  0.10000E+01 volume  0.12281E-02 ppm1      2.173 ppm2     10.915 CV     1
  OR {  322}
    (( segid "    " and resid 103  and name HG3 ))
    (( segid "    " and resid 107  and name HN  ))
  ASSI {  323}
    (( segid "    " and resid 82   and name HB2 ))
    (( segid "    " and resid 82   and name HD22))
       3.700     1.700     1.700 peak   323 spectrum    4 weight  0.10000E+01 volume  0.22984E-02 ppm1      2.179 ppm2      7.411 CV     1
  ASSI {  324}
    (( segid "    " and resid 82   and name HB2 ))
    (( segid "    " and resid 83   and name HN  ))
       3.700     1.700     1.700 peak   324 spectrum    4 weight  0.10000E+01 volume  0.16694E-02 ppm1      2.188 ppm2      7.974 CV     1
  ASSI {  325}
    (( segid "    " and resid 59   and name HB2 ))
    (( segid "    " and resid 59   and name HN  ))
       3.100     1.200     1.200 peak   325 spectrum    4 weight  0.10000E+01 volume  0.15336E-02 ppm1      2.190 ppm2      8.896 CV     1
  ASSI {  326}
    (( segid "    " and resid 82   and name HB2 ))
    (( segid "    " and resid 82   and name HD21))
       2.900     1.100     1.100 peak   326 spectrum    4 weight  0.10000E+01 volume  0.18207E-02 ppm1      2.191 ppm2      6.691 CV     1
  ASSI {  327}
    (( segid "    " and resid 95   and name HB3 ))
    (( segid "    " and resid 96   and name HN  ))
       2.700     0.900     0.900 peak   327 spectrum    4 weight  0.10000E+01 volume  0.30246E-02 ppm1      2.193 ppm2      8.211 CV     1
  ASSI {  330}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HD22))
       4.300     2.400     1.700 peak   330 spectrum    4 weight  0.10000E+01 volume  0.74107E-03 ppm1      2.220 ppm2      6.484 CV     1
  ASSI {  331}
    (( segid "    " and resid 78   and name HB3 ))
    (( segid "    " and resid 79   and name HN  ))
       3.900     1.900     1.900 peak   331 spectrum    4 weight  0.10000E+01 volume  0.93275E-03 ppm1      2.221 ppm2      8.306 CV     1
  ASSI {  332}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 41   and name HD21))
       3.700     1.700     1.700 peak   332 spectrum    4 weight  0.10000E+01 volume  0.75059E-03 ppm1      2.222 ppm2      7.418 CV     1
  ASSI {  334}
    (( segid "    " and resid 78   and name HB3 ))
    (( segid "    " and resid 78   and name HN  ))
       2.800     1.000     1.000 peak   334 spectrum    4 weight  0.10000E+01 volume  0.46700E-02 ppm1      2.224 ppm2      8.272 CV     1
  ASSI {  336}
    (( segid "    " and resid 81   and name HG3 ))
    (( segid "    " and resid 81   and name HN  ))
       3.100     1.200     1.200 peak   336 spectrum    4 weight  0.10000E+01 volume  0.44704E-02 ppm1      2.228 ppm2      8.521 CV     1
  OR {  336}
    (( segid "    " and resid 81   and name HG2 ))
    (( segid "    " and resid 81   and name HN  ))
  ASSI {  338}
    (( segid "    " and resid 35   and name HG3 ))
    (( segid "    " and resid 35   and name HN  ))
       2.800     0.900     0.900 peak   338 spectrum    4 weight  0.10000E+01 volume  0.33264E-02 ppm1      2.231 ppm2      8.363 CV     1
  OR {  338}
    (( segid "    " and resid 35   and name HG2 ))
    (( segid "    " and resid 35   and name HN  ))
  ASSI {  340}
    (( segid "    " and resid 41   and name HB2 ))
    (( segid "    " and resid 76   and name HN  ))
       4.000     2.000     2.000 peak   340 spectrum    4 weight  0.10000E+01 volume  0.51828E-03 ppm1      2.233 ppm2      9.326 CV     1
  ASSI {  343}
    (( segid "    " and resid 23   and name HG2 ))
    (( segid "    " and resid 23   and name HN  ))
       3.800     1.800     1.800 peak   343 spectrum    4 weight  0.10000E+01 volume  0.73636E-03 ppm1      2.251 ppm2      8.325 CV     1
  OR {  343}
    (( segid "    " and resid 23   and name HG3 ))
    (( segid "    " and resid 23   and name HN  ))
  ASSI {  345}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 40   and name HN  ))
       2.600     0.800     0.800 peak   345 spectrum    4 weight  0.10000E+01 volume  0.38068E-02 ppm1      2.253 ppm2      7.754 CV     1
  ASSI {  347}
    (( segid "    " and resid 94   and name HB2 ))
    (( segid "    " and resid 94   and name HN  ))
       2.200     0.600     0.600 peak   347 spectrum    4 weight  0.10000E+01 volume  0.13647E-01 ppm1      2.266 ppm2      9.033 CV     1
  OR {  347}
    (( segid "    " and resid 94   and name HB3 ))
    (( segid "    " and resid 94   and name HN  ))
  ASSI {  350}
    (( segid "    " and resid 70   and name HB  ))
    (( segid "    " and resid 70   and name HN  ))
       2.700     0.900     0.900 peak   350 spectrum    4 weight  0.10000E+01 volume  0.48842E-02 ppm1      2.275 ppm2      9.218 CV     1
  ASSI {  351}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 37   and name HN  ))
       2.900     1.100     1.100 peak   351 spectrum    4 weight  0.10000E+01 volume  0.36129E-02 ppm1      2.282 ppm2      8.431 CV     1
  OR {  351}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 37   and name HN  ))
  OR {  351}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 37   and name HN  ))
  ASSI {  352}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 36   and name HN  ))
       2.400     0.700     0.700 peak   352 spectrum    4 weight  0.10000E+01 volume  0.87751E-02 ppm1      2.283 ppm2      7.590 CV     1
  OR {  352}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 36   and name HN  ))
  ASSI {  355}
    (( segid "    " and resid 117  and name HG2 ))
    (( segid "    " and resid 117  and name HN  ))
       3.300     1.400     1.400 peak   355 spectrum    4 weight  0.10000E+01 volume  0.15859E-02 ppm1      2.295 ppm2      8.568 CV     1
  OR {  355}
    (( segid "    " and resid 117  and name HG3 ))
    (( segid "    " and resid 117  and name HN  ))
  ASSI {  357}
    (( segid "    " and resid 36   and name HG3 ))
    (( segid "    " and resid 33   and name HN  ))
       3.100     1.200     1.200 peak   357 spectrum    4 weight  0.10000E+01 volume  0.34077E-02 ppm1      2.316 ppm2      9.093 CV     1
  OR {  357}
    (( segid "    " and resid 36   and name HB2 ))
    (( segid "    " and resid 33   and name HN  ))
  OR {  357}
    (( segid "    " and resid 36   and name HB3 ))
    (( segid "    " and resid 33   and name HN  ))
  ASSI {  358}
    (( segid "    " and resid 73   and name HG2 ))
    (( segid "    " and resid 73   and name HN  ))
       3.400     1.400     1.400 peak   358 spectrum    4 weight  0.10000E+01 volume  0.50449E-02 ppm1      2.337 ppm2      8.115 CV     1
  OR {  358}
    (( segid "    " and resid 73   and name HG3 ))
    (( segid "    " and resid 73   and name HN  ))
  ASSI {  360}
    (( segid "    " and resid 84   and name HB3 ))
    (( segid "    " and resid 85   and name HN  ))
       3.200     1.300     1.300 peak   360 spectrum    4 weight  0.10000E+01 volume  0.34117E-02 ppm1      2.376 ppm2      8.933 CV     1
  ASSI {  361}
    (( segid "    " and resid 84   and name HB3 ))
    (( segid "    " and resid 84   and name HN  ))
       3.000     1.100     1.100 peak   361 spectrum    4 weight  0.10000E+01 volume  0.34369E-02 ppm1      2.380 ppm2      8.756 CV     1
  ASSI {  363}
    (( segid "    " and resid 32   and name HB3 ))
    (( segid "    " and resid 32   and name HN  ))
       3.600     1.600     1.600 peak   363 spectrum    4 weight  0.10000E+01 volume  0.20733E-02 ppm1      2.390 ppm2      8.601 CV     1
  ASSI {  364}
    (( segid "    " and resid 110  and name HB2 ))
    (( segid "    " and resid 111  and name HN  ))
       3.900     1.900     1.900 peak   364 spectrum    4 weight  0.10000E+01 volume  0.50828E-03 ppm1      2.398 ppm2      7.543 CV     1
  ASSI {  366}
    (( segid "    " and resid 95   and name HB2 ))
    (( segid "    " and resid 95   and name HN  ))
       2.200     0.600     0.600 peak   366 spectrum    4 weight  0.10000E+01 volume  0.10022E-01 ppm1      2.421 ppm2      8.475 CV     1
  ASSI {  369}
    (( segid "    " and resid 61   and name HG  ))
    (( segid "    " and resid 61   and name HN  ))
       1.900     0.500     0.500 peak   369 spectrum    4 weight  0.10000E+01 volume  0.14351E-01 ppm1      2.429 ppm2      7.794 CV     1
  OR {  369}
    (( segid "    " and resid 61   and name HB2 ))
    (( segid "    " and resid 61   and name HN  ))
  ASSI {  372}
    (( segid "    " and resid 95   and name HB2 ))
    (( segid "    " and resid 96   and name HN  ))
       3.600     1.700     1.700 peak   372 spectrum    4 weight  0.10000E+01 volume  0.25859E-02 ppm1      2.477 ppm2      8.210 CV     1
  ASSI {  373}
    (( segid "    " and resid 69   and name HB2 ))
    (( segid "    " and resid 69   and name HN  ))
       2.200     0.600     0.600 peak   373 spectrum    4 weight  0.10000E+01 volume  0.80499E-02 ppm1      2.482 ppm2      9.522 CV     1
  ASSI {  375}
    (( segid "    " and resid 38   and name HG2 ))
    (( segid "    " and resid 39   and name HN  ))
       4.500     2.500     1.500 peak   375 spectrum    4 weight  0.10000E+01 volume  0.96068E-03 ppm1      2.497 ppm2      7.141 CV     1
  OR {  375}
    (( segid "    " and resid 38   and name HG3 ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  376}
    (( segid "    " and resid 71   and name HG  ))
    (( segid "    " and resid 71   and name HN  ))
       2.900     1.100     1.100 peak   376 spectrum    4 weight  0.10000E+01 volume  0.12112E-02 ppm1      2.501 ppm2      7.265 CV     1
  ASSI {  378}
    (( segid "    " and resid 99   and name HB3 ))
    (( segid "    " and resid 99   and name HN  ))
       3.100     1.200     1.200 peak   378 spectrum    4 weight  0.10000E+01 volume  0.45339E-02 ppm1      2.516 ppm2      7.288 CV     1
  ASSI {  381}
    (( segid "    " and resid 99   and name HB3 ))
    (( segid "    " and resid 100  and name HN  ))
       3.900     1.900     1.900 peak   381 spectrum    4 weight  0.10000E+01 volume  0.11091E-02 ppm1      2.521 ppm2      6.818 CV     1
  ASSI {  382}
    (( segid "    " and resid 38   and name HG2 ))
    (( segid "    " and resid 38   and name HE21))
       3.000     1.100     1.100 peak   382 spectrum    4 weight  0.10000E+01 volume  0.19592E-02 ppm1      2.521 ppm2      6.658 CV     1
  OR {  382}
    (( segid "    " and resid 38   and name HG3 ))
    (( segid "    " and resid 38   and name HE21))
  ASSI {  383}
    (( segid "    " and resid 38   and name HG2 ))
    (( segid "    " and resid 38   and name HE22))
       3.600     1.700     1.700 peak   383 spectrum    4 weight  0.10000E+01 volume  0.24375E-02 ppm1      2.524 ppm2      7.299 CV     1
  OR {  383}
    (( segid "    " and resid 38   and name HG3 ))
    (( segid "    " and resid 38   and name HE22))
  ASSI {  385}
    (( segid "    " and resid 69   and name HG2 ))
    (( segid "    " and resid 69   and name HN  ))
       2.600     0.800     0.800 peak   385 spectrum    4 weight  0.10000E+01 volume  0.61698E-02 ppm1      2.536 ppm2      9.526 CV     1
  OR {  385}
    (( segid "    " and resid 69   and name HG3 ))
    (( segid "    " and resid 69   and name HN  ))
  OR {  385}
    (( segid "    " and resid 69   and name HB3 ))
    (( segid "    " and resid 69   and name HN  ))
  ASSI {  389}
    (( segid "    " and resid 60   and name HB3 ))
    (( segid "    " and resid 60   and name HN  ))
       2.400     0.700     0.700 peak   389 spectrum    4 weight  0.10000E+01 volume  0.63922E-02 ppm1      2.549 ppm2      8.081 CV     1
  ASSI {  390}
    (( segid "    " and resid 91   and name HB3 ))
    (( segid "    " and resid 90   and name HN  ))
       4.500     2.500     1.500 peak   390 spectrum    4 weight  0.10000E+01 volume  0.50171E-03 ppm1      2.558 ppm2      9.256 CV     1
  OR {  390}
    (( segid "    " and resid 91   and name HB2 ))
    (( segid "    " and resid 90   and name HN  ))
  ASSI {  392}
    (( segid "    " and resid 105  and name HB3 ))
    (( segid "    " and resid 105  and name HN  ))
       3.400     1.400     1.400 peak   392 spectrum    4 weight  0.10000E+01 volume  0.36568E-02 ppm1      2.565 ppm2      9.083 CV     1
  ASSI {  398}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 32   and name HN  ))
       2.900     1.000     1.000 peak   398 spectrum    4 weight  0.10000E+01 volume  0.19173E-02 ppm1      2.587 ppm2      8.599 CV     1
  ASSI {  399}
    (( segid "    " and resid 105  and name HB3 ))
    (( segid "    " and resid 34   and name HN  ))
       4.000     2.000     2.000 peak   399 spectrum    4 weight  0.10000E+01 volume  0.13793E-02 ppm1      2.594 ppm2      9.698 CV     1
  ASSI {  400}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 26   and name HN  ))
       3.900     1.900     1.900 peak   400 spectrum    4 weight  0.10000E+01 volume  0.61287E-03 ppm1      2.604 ppm2      8.323 CV     1
  OR {  400}
    (( segid "    " and resid 26   and name HB3 ))
    (( segid "    " and resid 26   and name HN  ))
  ASSI {  406}
    (( segid "    " and resid 62   and name HG3 ))
    (( segid "    " and resid 62   and name HN  ))
       2.200     0.600     0.600 peak   406 spectrum    4 weight  0.10000E+01 volume  0.10680E-01 ppm1      2.620 ppm2      8.504 CV     1
  OR {  406}
    (( segid "    " and resid 62   and name HG2 ))
    (( segid "    " and resid 62   and name HN  ))
  ASSI {  412}
    (( segid "    " and resid 71   and name HB2 ))
    (( segid "    " and resid 72   and name HN  ))
       2.400     0.700     0.700 peak   412 spectrum    4 weight  0.10000E+01 volume  0.40952E-02 ppm1      2.629 ppm2      8.385 CV     1
  ASSI {  413}
    (( segid "    " and resid 31   and name HB3 ))
    (( segid "    " and resid 31   and name HN  ))
       3.600     1.700     1.700 peak   413 spectrum    4 weight  0.10000E+01 volume  0.19018E-02 ppm1      2.630 ppm2      8.049 CV     1
  ASSI {  414}
    (( segid "    " and resid 71   and name HB2 ))
    (( segid "    " and resid 71   and name HN  ))
       2.800     1.000     1.000 peak   414 spectrum    4 weight  0.10000E+01 volume  0.21928E-02 ppm1      2.631 ppm2      7.264 CV     1
  ASSI {  415}
    (( segid "    " and resid 26   and name HB3 ))
    (( segid "    " and resid 27   and name HN  ))
       3.600     1.600     1.600 peak   415 spectrum    4 weight  0.10000E+01 volume  0.13495E-02 ppm1      2.636 ppm2      8.177 CV     1
  OR {  415}
    (( segid "    " and resid 26   and name HB2 ))
    (( segid "    " and resid 27   and name HN  ))
  ASSI {  416}
    (( segid "    " and resid 78   and name HB2 ))
    (( segid "    " and resid 78   and name HN  ))
       2.700     0.900     0.900 peak   416 spectrum    4 weight  0.10000E+01 volume  0.56455E-02 ppm1      2.670 ppm2      8.270 CV     1
  ASSI {  417}
    (( segid "    " and resid 47   and name HB3 ))
    (( segid "    " and resid 47   and name HN  ))
       4.100     2.100     1.900 peak   417 spectrum    4 weight  0.10000E+01 volume  0.10903E-02 ppm1      2.676 ppm2      8.787 CV     1
  ASSI {  418}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 35   and name HN  ))
       4.000     2.000     2.000 peak   418 spectrum    4 weight  0.10000E+01 volume  0.11280E-02 ppm1      2.679 ppm2      8.361 CV     1
  ASSI {  419}
    (( segid "    " and resid 47   and name HB3 ))
    (( segid "    " and resid 48   and name HN  ))
       2.600     0.900     0.900 peak   419 spectrum    4 weight  0.10000E+01 volume  0.18973E-02 ppm1      2.683 ppm2      8.457 CV     1
  ASSI {  420}
    (( segid "    " and resid 124  and name HB3 ))
    (( segid "    " and resid 124  and name HN  ))
       3.900     1.900     1.900 peak   420 spectrum    4 weight  0.10000E+01 volume  0.56343E-03 ppm1      2.699 ppm2      8.369 CV     1
  OR {  420}
    (( segid "    " and resid 124  and name HB2 ))
    (( segid "    " and resid 124  and name HN  ))
  ASSI {  422}
    (( segid "    " and resid 36   and name HG2 ))
    (( segid "    " and resid 36   and name HN  ))
       3.200     1.300     1.300 peak   422 spectrum    4 weight  0.10000E+01 volume  0.15826E-02 ppm1      2.706 ppm2      7.588 CV     1
  ASSI {  423}
    (( segid "    " and resid 78   and name HB2 ))
    (( segid "    " and resid 79   and name HN  ))
       4.400     2.500     1.600 peak   423 spectrum    4 weight  0.10000E+01 volume  0.62190E-03 ppm1      2.719 ppm2      8.304 CV     1
  ASSI {  424}
    (( segid "    " and resid 113  and name HB3 ))
    (( segid "    " and resid 113  and name HD21))
       3.400     1.400     1.400 peak   424 spectrum    4 weight  0.10000E+01 volume  0.98858E-03 ppm1      2.741 ppm2      6.897 CV     1
  ASSI {  425}
    (( segid "    " and resid 113  and name HB3 ))
    (( segid "    " and resid 113  and name HD22))
       4.200     2.200     1.800 peak   425 spectrum    4 weight  0.10000E+01 volume  0.10605E-02 ppm1      2.748 ppm2      7.532 CV     1
  ASSI {  426}
    (( segid "    " and resid 93   and name HG3 ))
    (( segid "    " and resid 93   and name HN  ))
       2.900     1.000     1.000 peak   426 spectrum    4 weight  0.10000E+01 volume  0.20347E-02 ppm1      2.778 ppm2      9.144 CV     1
  ASSI {  427}
    (( segid "    " and resid 113  and name HB3 ))
    (( segid "    " and resid 113  and name HN  ))
       2.900     1.100     1.100 peak   427 spectrum    4 weight  0.10000E+01 volume  0.34248E-02 ppm1      2.779 ppm2      7.974 CV     1
  ASSI {  428}
    (( segid "    " and resid 113  and name HB3 ))
    (( segid "    " and resid 114  and name HN  ))
       3.500     1.500     1.500 peak   428 spectrum    4 weight  0.10000E+01 volume  0.12200E-02 ppm1      2.781 ppm2      8.115 CV     1
  ASSI {  430}
    (( segid "    " and resid 109  and name HD2 ))
    (( segid "    " and resid 109  and name HN  ))
       3.600     1.600     1.600 peak   430 spectrum    4 weight  0.10000E+01 volume  0.18517E-02 ppm1      2.784 ppm2      7.213 CV     1
  ASSI {  431}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 32   and name HN  ))
       3.800     1.800     1.800 peak   431 spectrum    4 weight  0.10000E+01 volume  0.14356E-02 ppm1      2.795 ppm2      8.600 CV     1
  ASSI {  432}
    (( segid "    " and resid 31   and name HB2 ))
    (( segid "    " and resid 31   and name HN  ))
       2.700     0.900     0.900 peak   432 spectrum    4 weight  0.10000E+01 volume  0.29738E-02 ppm1      2.802 ppm2      8.048 CV     1
  ASSI {  433}
    (( segid "    " and resid 105  and name HB2 ))
    (( segid "    " and resid 34   and name HN  ))
       3.300     1.400     1.400 peak   433 spectrum    4 weight  0.10000E+01 volume  0.14160E-02 ppm1      2.812 ppm2      9.698 CV     1
  ASSI {  434}
    (( segid "    " and resid 84   and name HB2 ))
    (( segid "    " and resid 84   and name HN  ))
       2.700     0.900     0.900 peak   434 spectrum    4 weight  0.10000E+01 volume  0.43558E-02 ppm1      2.814 ppm2      8.755 CV     1
  ASSI {  435}
    (( segid "    " and resid 68   and name HB3 ))
    (( segid "    " and resid 69   and name HN  ))
       2.700     0.900     0.900 peak   435 spectrum    4 weight  0.10000E+01 volume  0.41546E-02 ppm1      2.818 ppm2      9.522 CV     1
  OR {  435}
    (( segid "    " and resid 68   and name HB2 ))
    (( segid "    " and resid 69   and name HN  ))
  ASSI {  436}
    (( segid "    " and resid 68   and name HB3 ))
    (( segid "    " and resid 68   and name HN  ))
       2.800     1.000     1.000 peak   436 spectrum    4 weight  0.10000E+01 volume  0.41422E-02 ppm1      2.826 ppm2      9.891 CV     1
  OR {  436}
    (( segid "    " and resid 68   and name HB2 ))
    (( segid "    " and resid 68   and name HN  ))
  ASSI {  440}
    (( segid "    " and resid 105  and name HB2 ))
    (( segid "    " and resid 105  and name HN  ))
       2.400     0.700     0.700 peak   440 spectrum    4 weight  0.10000E+01 volume  0.32305E-02 ppm1      2.831 ppm2      9.083 CV     1
  ASSI {  441}
    (( segid "    " and resid 60   and name HB2 ))
    (( segid "    " and resid 61   and name HN  ))
       3.500     1.500     1.500 peak   441 spectrum    4 weight  0.10000E+01 volume  0.21725E-02 ppm1      2.839 ppm2      7.795 CV     1
  ASSI {  442}
    (( segid "    " and resid 60   and name HB2 ))
    (( segid "    " and resid 60   and name HN  ))
       2.400     0.700     0.700 peak   442 spectrum    4 weight  0.10000E+01 volume  0.51632E-02 ppm1      2.841 ppm2      8.080 CV     1
  ASSI {  446}
    (( segid "    " and resid 85   and name HB3 ))
    (( segid "    " and resid 85   and name HN  ))
       2.400     0.700     0.700 peak   446 spectrum    4 weight  0.10000E+01 volume  0.75754E-02 ppm1      2.866 ppm2      8.935 CV     1
  ASSI {  447}
    (( segid "    " and resid 108  and name HB2 ))
    (( segid "    " and resid 108  and name HN  ))
       2.600     0.900     0.900 peak   447 spectrum    4 weight  0.10000E+01 volume  0.34846E-02 ppm1      2.866 ppm2      8.100 CV     1
  ASSI {  448}
    (( segid "    " and resid 83   and name HB2 ))
    (( segid "    " and resid 82   and name HN  ))
       3.800     1.800     1.800 peak   448 spectrum    4 weight  0.10000E+01 volume  0.15807E-02 ppm1      2.868 ppm2      7.654 CV     1
  ASSI {  449}
    (( segid "    " and resid 56   and name HB2 ))
    (( segid "    " and resid 56   and name HN  ))
       3.300     1.300     1.300 peak   449 spectrum    4 weight  0.10000E+01 volume  0.22326E-02 ppm1      2.882 ppm2      8.128 CV     1
  ASSI {  451}
    (( segid "    " and resid 80   and name HB  ))
    (( segid "    " and resid 80   and name HN  ))
       2.800     0.900     0.900 peak   451 spectrum    4 weight  0.10000E+01 volume  0.29417E-02 ppm1      2.892 ppm2      7.835 CV     1
  ASSI {  452}
    (( segid "    " and resid 39   and name HE2 ))
    (( segid "    " and resid 39   and name HN  ))
       3.900     1.900     1.900 peak   452 spectrum    4 weight  0.10000E+01 volume  0.67014E-03 ppm1      2.893 ppm2      7.141 CV     1
  OR {  452}
    (( segid "    " and resid 39   and name HE3 ))
    (( segid "    " and resid 39   and name HN  ))
  ASSI {  454}
    (( segid "    " and resid 56   and name HB2 ))
    (( segid "    " and resid 57   and name HN  ))
       3.700     1.700     1.700 peak   454 spectrum    4 weight  0.10000E+01 volume  0.99415E-03 ppm1      2.894 ppm2      8.332 CV     1
  ASSI {  456}
    (( segid "    " and resid 56   and name HB2 ))
    (( segid "    " and resid 47   and name HE1 ))
       3.100     1.200     1.200 peak   456 spectrum    4 weight  0.10000E+01 volume  0.14702E-02 ppm1      2.896 ppm2      8.665 CV     1
  ASSI {  457}
    (( segid "    " and resid 56   and name HB2 ))
    (( segid "    " and resid 58   and name HN  ))
       4.100     2.100     1.900 peak   457 spectrum    4 weight  0.10000E+01 volume  0.76545E-03 ppm1      2.906 ppm2      8.645 CV     1
  ASSI {  458}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 41   and name HD21))
       3.300     1.300     1.300 peak   458 spectrum    4 weight  0.10000E+01 volume  0.98447E-03 ppm1      2.947 ppm2      7.417 CV     1
  ASSI {  460}
    (( segid "    " and resid 42   and name HB3 ))
    (( segid "    " and resid 45   and name HN  ))
       5.100     3.200     0.900 peak   460 spectrum    4 weight  0.10000E+01 volume  0.51277E-03 ppm1      2.951 ppm2      7.033 CV     1
  ASSI {  461}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 41   and name HN  ))
       2.900     1.100     1.100 peak   461 spectrum    4 weight  0.10000E+01 volume  0.22117E-02 ppm1      2.952 ppm2      7.397 CV     1
  ASSI {  463}
    (( segid "    " and resid 97   and name HE3 ))
    (( segid "    " and resid 97   and name HN  ))
       4.300     2.300     1.700 peak   463 spectrum    4 weight  0.10000E+01 volume  0.88408E-03 ppm1      2.952 ppm2      7.190 CV     1
  OR {  463}
    (( segid "    " and resid 97   and name HE2 ))
    (( segid "    " and resid 97   and name HN  ))
  ASSI {  464}
    (( segid "    " and resid 41   and name HB3 ))
    (( segid "    " and resid 41   and name HD22))
       4.200     2.200     1.800 peak   464 spectrum    4 weight  0.10000E+01 volume  0.73873E-03 ppm1      2.954 ppm2      6.491 CV     1
  ASSI {  468}
    (( segid "    " and resid 47   and name HB2 ))
    (( segid "    " and resid 48   and name HN  ))
       4.200     2.200     1.800 peak   468 spectrum    4 weight  0.10000E+01 volume  0.13471E-02 ppm1      2.960 ppm2      8.457 CV     1
  ASSI {  469}
    (( segid "    " and resid 47   and name HB2 ))
    (( segid "    " and resid 47   and name HN  ))
       2.800     1.000     1.000 peak   469 spectrum    4 weight  0.10000E+01 volume  0.18756E-02 ppm1      2.962 ppm2      8.788 CV     1
  ASSI {  470}
    (( segid "    " and resid 84   and name HG3 ))
    (( segid "    " and resid 84   and name HN  ))
       2.800     1.000     1.000 peak   470 spectrum    4 weight  0.10000E+01 volume  0.42969E-02 ppm1      2.995 ppm2      8.756 CV     1
  ASSI {  471}
    (( segid "    " and resid 85   and name HB2 ))
    (( segid "    " and resid 85   and name HN  ))
       2.400     0.800     0.800 peak   471 spectrum    4 weight  0.10000E+01 volume  0.10866E-01 ppm1      3.014 ppm2      8.931 CV     1
  ASSI {  472}
    (( segid "    " and resid 111  and name HE3 ))
    (( segid "    " and resid 111  and name HN  ))
       3.000     3.000     3.000 peak   472 spectrum    4 weight  0.10000E+01 volume  0.41961E-03 ppm1      3.025 ppm2      7.541 CV     1
  OR {  472}
    (( segid "    " and resid 111  and name HE2 ))
    (( segid "    " and resid 111  and name HN  ))
  ASSI {  474}
    (( segid "    " and resid 93   and name HG2 ))
    (( segid "    " and resid 94   and name HN  ))
       3.900     1.900     1.900 peak   474 spectrum    4 weight  0.10000E+01 volume  0.12054E-02 ppm1      3.036 ppm2      9.033 CV     1
  ASSI {  475}
    (( segid "    " and resid 93   and name HG2 ))
    (( segid "    " and resid 93   and name HN  ))
       2.700     0.900     0.900 peak   475 spectrum    4 weight  0.10000E+01 volume  0.30339E-02 ppm1      3.042 ppm2      9.146 CV     1
  ASSI {  476}
    (( segid "    " and resid 51   and name HB2 ))
    (( segid "    " and resid 51   and name HN  ))
       3.500     1.500     1.500 peak   476 spectrum    4 weight  0.10000E+01 volume  0.15647E-02 ppm1      3.078 ppm2      9.221 CV     1
  OR {  476}
    (( segid "    " and resid 51   and name HB3 ))
    (( segid "    " and resid 51   and name HN  ))
  ASSI {  480}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 33   and name HN  ))
       3.800     1.800     1.800 peak   480 spectrum    4 weight  0.10000E+01 volume  0.18315E-02 ppm1      3.108 ppm2      9.092 CV     1
  ASSI {  482}
    (( segid "    " and resid 32   and name HB2 ))
    (( segid "    " and resid 32   and name HN  ))
       3.100     1.200     1.200 peak   482 spectrum    4 weight  0.10000E+01 volume  0.11188E-02 ppm1      3.115 ppm2      8.601 CV     1
  ASSI {  483}
    (( segid "    " and resid 84   and name HG2 ))
    (( segid "    " and resid 84   and name HN  ))
       2.800     1.000     1.000 peak   483 spectrum    4 weight  0.10000E+01 volume  0.28198E-02 ppm1      3.115 ppm2      8.757 CV     1
  ASSI {  486}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 71   and name HN  ))
       3.200     1.300     1.300 peak   486 spectrum    4 weight  0.10000E+01 volume  0.12293E-02 ppm1      3.119 ppm2      7.263 CV     1
  ASSI {  487}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 72   and name HN  ))
       3.200     1.300     1.300 peak   487 spectrum    4 weight  0.10000E+01 volume  0.16351E-02 ppm1      3.120 ppm2      8.385 CV     1
  ASSI {  492}
    (( segid "    " and resid 42   and name HB2 ))
    (( segid "    " and resid 42   and name HN  ))
       3.700     1.700     1.700 peak   492 spectrum    4 weight  0.10000E+01 volume  0.11477E-02 ppm1      3.286 ppm2      7.492 CV     1
  ASSI {  493}
    (( segid "    " and resid 83   and name HA  ))
    (( segid "    " and resid 83   and name HN  ))
       3.500     1.500     1.500 peak   493 spectrum    4 weight  0.10000E+01 volume  0.93698E-03 ppm1      3.345 ppm2      7.972 CV     1
  ASSI {  495}
    (( segid "    " and resid 72   and name HD2 ))
    (( segid "    " and resid 72   and name HN  ))
       3.900     1.900     1.900 peak   495 spectrum    4 weight  0.10000E+01 volume  0.13566E-02 ppm1      3.363 ppm2      8.383 CV     1
  OR {  495}
    (( segid "    " and resid 72   and name HD3 ))
    (( segid "    " and resid 72   and name HN  ))
  ASSI {  497}
    (  segid "    " and resid 71   and name HD1%)
    (( segid "    " and resid 71   and name HN  ))
       4.400     2.400     1.600 peak   497 spectrum    4 weight  0.10000E+01 volume  0.87184E-03 ppm1      3.394 ppm2      7.266 CV     1
  ASSI {  498}
    (( segid "    " and resid 100  and name HA  ))
    (( segid "    " and resid 101  and name HN  ))
       2.400     0.700     0.700 peak   498 spectrum    4 weight  0.10000E+01 volume  0.44442E-02 ppm1      3.421 ppm2      8.547 CV     1
  ASSI {  499}
    (( segid "    " and resid 100  and name HA  ))
    (( segid "    " and resid 102  and name HN  ))
       3.100     1.200     1.200 peak   499 spectrum    4 weight  0.10000E+01 volume  0.29772E-02 ppm1      3.428 ppm2      7.295 CV     1
  ASSI {  500}
    (( segid "    " and resid 100  and name HA  ))
    (( segid "    " and resid 100  and name HN  ))
       2.600     0.800     0.800 peak   500 spectrum    4 weight  0.10000E+01 volume  0.32414E-02 ppm1      3.446 ppm2      6.818 CV     1
  ASSI {  501}
    (( segid "    " and resid 110  and name HD3 ))
    (( segid "    " and resid 111  and name HN  ))
       4.600     2.600     1.400 peak   501 spectrum    4 weight  0.10000E+01 volume  0.67892E-03 ppm1      3.486 ppm2      7.543 CV     1
  ASSI {  502}
    (( segid "    " and resid 96   and name HB3 ))
    (( segid "    " and resid 96   and name HN  ))
       2.600     0.800     0.800 peak   502 spectrum    4 weight  0.10000E+01 volume  0.31074E-02 ppm1      3.505 ppm2      8.211 CV     1
  ASSI {  504}
    (( segid "    " and resid 110  and name HD3 ))
    (( segid "    " and resid 109  and name HN  ))
       2.600     0.800     0.800 peak   504 spectrum    4 weight  0.10000E+01 volume  0.27231E-02 ppm1      3.514 ppm2      7.213 CV     1
  ASSI {  506}
    (( segid "    " and resid 77   and name HA2 ))
    (( segid "    " and resid 78   and name HN  ))
       2.400     0.700     0.700 peak   506 spectrum    4 weight  0.10000E+01 volume  0.70516E-02 ppm1      3.544 ppm2      8.272 CV     1
  ASSI {  509}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       3.800     1.800     1.800 peak   509 spectrum    4 weight  0.10000E+01 volume  0.74262E-03 ppm1      3.559 ppm2      7.138 CV     1
  ASSI {  510}
    (( segid "    " and resid 99   and name HB2 ))
    (( segid "    " and resid 56   and name HN  ))
       4.200     2.200     1.800 peak   510 spectrum    4 weight  0.10000E+01 volume  0.13039E-02 ppm1      3.559 ppm2      8.128 CV     1
  ASSI {  511}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
       3.300     1.300     1.300 peak   511 spectrum    4 weight  0.10000E+01 volume  0.12513E-02 ppm1      3.562 ppm2      7.757 CV     1
  ASSI {  512}
    (( segid "    " and resid 99   and name HB2 ))
    (( segid "    " and resid 99   and name HN  ))
       2.300     0.700     0.700 peak   512 spectrum    4 weight  0.10000E+01 volume  0.48400E-02 ppm1      3.562 ppm2      7.287 CV     1
  ASSI {  513}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 38   and name HN  ))
       3.100     1.200     1.200 peak   513 spectrum    4 weight  0.10000E+01 volume  0.13391E-02 ppm1      3.566 ppm2      8.091 CV     1
  ASSI {  514}
    (( segid "    " and resid 37   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       2.800     1.000     1.000 peak   514 spectrum    4 weight  0.10000E+01 volume  0.19004E-02 ppm1      3.585 ppm2      8.430 CV     1
  ASSI {  515}
    (( segid "    " and resid 46   and name HB  ))
    (( segid "    " and resid 47   and name HN  ))
       4.100     2.100     1.900 peak   515 spectrum    4 weight  0.10000E+01 volume  0.93483E-03 ppm1      3.619 ppm2      8.783 CV     1
  ASSI {  516}
    (( segid "    " and resid 46   and name HB  ))
    (( segid "    " and resid 46   and name HN  ))
       2.700     0.900     0.900 peak   516 spectrum    4 weight  0.10000E+01 volume  0.41045E-02 ppm1      3.631 ppm2      8.830 CV     1
  ASSI {  518}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 58   and name HN  ))
       2.700     0.900     0.900 peak   518 spectrum    4 weight  0.10000E+01 volume  0.31601E-02 ppm1      3.671 ppm2      8.640 CV     1
  ASSI {  519}
    (( segid "    " and resid 105  and name HA  ))
    (( segid "    " and resid 107  and name HN  ))
       3.300     3.300     2.700 peak   519 spectrum    4 weight  0.10000E+01 volume  0.10791E-02 ppm1      3.678 ppm2     10.914 CV     1
  ASSI {  520}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 59   and name HN  ))
       3.800     1.800     1.800 peak   520 spectrum    4 weight  0.10000E+01 volume  0.52734E-03 ppm1      3.681 ppm2      8.893 CV     1
  ASSI {  521}
    (( segid "    " and resid 52   and name HB2 ))
    (( segid "    " and resid 52   and name HN  ))
       3.000     1.100     1.100 peak   521 spectrum    4 weight  0.10000E+01 volume  0.32261E-02 ppm1      3.688 ppm2      8.474 CV     1
  ASSI {  522}
    (( segid "    " and resid 105  and name HA  ))
    (( segid "    " and resid 105  and name HN  ))
       3.000     1.100     1.100 peak   522 spectrum    4 weight  0.10000E+01 volume  0.13318E-02 ppm1      3.727 ppm2      9.081 CV     1
  ASSI {  523}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       2.100     0.600     0.600 peak   523 spectrum    4 weight  0.10000E+01 volume  0.14099E-01 ppm1      3.740 ppm2      7.987 CV     1
  ASSI {  524}
    (( segid "    " and resid 29   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       2.700     0.900     0.900 peak   524 spectrum    4 weight  0.10000E+01 volume  0.43109E-02 ppm1      3.740 ppm2      7.679 CV     1
  ASSI {  525}
    (( segid "    " and resid 75   and name HA  ))
    (( segid "    " and resid 76   and name HN  ))
       2.100     0.500     0.500 peak   525 spectrum    4 weight  0.10000E+01 volume  0.95084E-02 ppm1      3.744 ppm2      9.324 CV     1
  ASSI {  527}
    (( segid "    " and resid 75   and name HA  ))
    (( segid "    " and resid 75   and name HN  ))
       2.300     0.700     0.700 peak   527 spectrum    4 weight  0.10000E+01 volume  0.73403E-02 ppm1      3.760 ppm2      6.875 CV     1
  ASSI {  528}
    (( segid "    " and resid 93   and name HD3 ))
    (( segid "    " and resid 93   and name HN  ))
       3.800     1.800     1.800 peak   528 spectrum    4 weight  0.10000E+01 volume  0.10296E-02 ppm1      3.779 ppm2      9.147 CV     1
  ASSI {  529}
    (( segid "    " and resid 51   and name HA  ))
    (( segid "    " and resid 51   and name HN  ))
       2.500     0.800     0.800 peak   529 spectrum    4 weight  0.10000E+01 volume  0.53693E-02 ppm1      3.783 ppm2      9.221 CV     1
  ASSI {  531}
    (( segid "    " and resid 52   and name HA  ))
    (( segid "    " and resid 53   and name HN  ))
       3.000     1.100     1.100 peak   531 spectrum    4 weight  0.10000E+01 volume  0.28168E-02 ppm1      3.805 ppm2      8.235 CV     1
  ASSI {  532}
    (( segid "    " and resid 72   and name HA  ))
    (( segid "    " and resid 72   and name HN  ))
       2.600     0.900     0.900 peak   532 spectrum    4 weight  0.10000E+01 volume  0.41036E-02 ppm1      3.820 ppm2      8.384 CV     1
  ASSI {  533}
    (( segid "    " and resid 96   and name HA  ))
    (( segid "    " and resid 95   and name HN  ))
       4.100     2.100     1.900 peak   533 spectrum    4 weight  0.10000E+01 volume  0.12736E-02 ppm1      3.821 ppm2      8.477 CV     1
  OR {  533}
    (( segid "    " and resid 96   and name HB2 ))
    (( segid "    " and resid 95   and name HN  ))
  ASSI {  534}
    (( segid "    " and resid 96   and name HA  ))
    (( segid "    " and resid 96   and name HN  ))
       2.400     0.700     0.700 peak   534 spectrum    4 weight  0.10000E+01 volume  0.78737E-02 ppm1      3.833 ppm2      8.211 CV     1
  OR {  534}
    (( segid "    " and resid 96   and name HB2 ))
    (( segid "    " and resid 96   and name HN  ))
  ASSI {  536}
    (( segid "    " and resid 80   and name HA  ))
    (( segid "    " and resid 80   and name HN  ))
       2.700     0.900     0.900 peak   536 spectrum    4 weight  0.10000E+01 volume  0.33052E-02 ppm1      3.850 ppm2      7.835 CV     1
  ASSI {  537}
    (( segid "    " and resid 98   and name HA  ))
    (( segid "    " and resid 98   and name HN  ))
       2.600     0.800     0.800 peak   537 spectrum    4 weight  0.10000E+01 volume  0.64834E-02 ppm1      3.866 ppm2      7.420 CV     1
  ASSI {  538}
    (( segid "    " and resid 98   and name HA  ))
    (( segid "    " and resid 99   and name HN  ))
       2.700     0.900     0.900 peak   538 spectrum    4 weight  0.10000E+01 volume  0.32454E-02 ppm1      3.868 ppm2      7.287 CV     1
  ASSI {  539}
    (( segid "    " and resid 76   and name HA1 ))
    (( segid "    " and resid 76   and name HN  ))
       2.400     0.700     0.700 peak   539 spectrum    4 weight  0.10000E+01 volume  0.50950E-02 ppm1      3.876 ppm2      9.323 CV     1
  ASSI {  541}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 82   and name HN  ))
       3.300     1.400     1.400 peak   541 spectrum    4 weight  0.10000E+01 volume  0.16227E-02 ppm1      3.900 ppm2      7.654 CV     1
  ASSI {  543}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 83   and name HN  ))
       4.000     2.000     2.000 peak   543 spectrum    4 weight  0.10000E+01 volume  0.56418E-03 ppm1      3.910 ppm2      7.968 CV     1
  ASSI {  544}
    (( segid "    " and resid 45   and name HB2 ))
    (( segid "    " and resid 45   and name HN  ))
       3.100     1.200     1.200 peak   544 spectrum    4 weight  0.10000E+01 volume  0.18074E-02 ppm1      3.924 ppm2      7.031 CV     1
  ASSI {  546}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       2.900     1.000     1.000 peak   546 spectrum    4 weight  0.10000E+01 volume  0.24850E-02 ppm1      3.931 ppm2      9.699 CV     1
  ASSI {  547}
    (( segid "    " and resid 34   and name HA  ))
    (( segid "    " and resid 37   and name HN  ))
       2.800     1.000     1.000 peak   547 spectrum    4 weight  0.10000E+01 volume  0.23479E-02 ppm1      3.951 ppm2      8.431 CV     1
  ASSI {  548}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
       2.400     0.700     0.700 peak   548 spectrum    4 weight  0.10000E+01 volume  0.75685E-02 ppm1      3.962 ppm2      7.399 CV     1
  ASSI {  549}
    (( segid "    " and resid 73   and name HA  ))
    (( segid "    " and resid 73   and name HN  ))
       2.500     0.800     0.800 peak   549 spectrum    4 weight  0.10000E+01 volume  0.80733E-02 ppm1      3.973 ppm2      8.115 CV     1
  ASSI {  551}
    (( segid "    " and resid 97   and name HA  ))
    (( segid "    " and resid 97   and name HN  ))
       2.500     0.800     0.800 peak   551 spectrum    4 weight  0.10000E+01 volume  0.54036E-02 ppm1      4.003 ppm2      7.190 CV     1
  ASSI {  552}
    (( segid "    " and resid 40   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       3.200     1.300     1.300 peak   552 spectrum    4 weight  0.10000E+01 volume  0.17416E-02 ppm1      4.006 ppm2      7.494 CV     1
  ASSI {  553}
    (( segid "    " and resid 39   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       2.600     0.900     0.900 peak   553 spectrum    4 weight  0.10000E+01 volume  0.48543E-02 ppm1      4.008 ppm2      7.141 CV     1
  ASSI {  554}
    (( segid "    " and resid 102  and name HA2 ))
    (( segid "    " and resid 103  and name HN  ))
       2.500     0.800     0.800 peak   554 spectrum    4 weight  0.10000E+01 volume  0.42253E-02 ppm1      4.022 ppm2      8.984 CV     1
  ASSI {  555}
    (( segid "    " and resid 102  and name HA2 ))
    (( segid "    " and resid 102  and name HN  ))
       2.600     0.900     0.900 peak   555 spectrum    4 weight  0.10000E+01 volume  0.40186E-02 ppm1      4.025 ppm2      7.296 CV     1
  ASSI {  558}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 30   and name HN  ))
       2.800     1.000     1.000 peak   558 spectrum    4 weight  0.10000E+01 volume  0.35543E-02 ppm1      4.038 ppm2      7.985 CV     1
  ASSI {  559}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 55   and name HN  ))
       2.400     0.700     0.700 peak   559 spectrum    4 weight  0.10000E+01 volume  0.51725E-02 ppm1      4.040 ppm2      8.794 CV     1
  ASSI {  560}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 54   and name HN  ))
       3.000     1.100     1.100 peak   560 spectrum    4 weight  0.10000E+01 volume  0.15793E-02 ppm1      4.040 ppm2      8.242 CV     1
  ASSI {  561}
    (( segid "    " and resid 30   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       2.300     0.600     0.600 peak   561 spectrum    4 weight  0.10000E+01 volume  0.11710E-01 ppm1      4.041 ppm2      8.049 CV     1
  ASSI {  562}
    (( segid "    " and resid 70   and name HA  ))
    (( segid "    " and resid 71   and name HN  ))
       3.600     1.600     1.600 peak   562 spectrum    4 weight  0.10000E+01 volume  0.78983E-03 ppm1      4.076 ppm2      7.263 CV     1
  ASSI {  563}
    (( segid "    " and resid 70   and name HA  ))
    (( segid "    " and resid 70   and name HN  ))
       2.600     0.900     0.900 peak   563 spectrum    4 weight  0.10000E+01 volume  0.48474E-02 ppm1      4.083 ppm2      9.218 CV     1
  ASSI {  564}
    (( segid "    " and resid 109  and name HA  ))
    (( segid "    " and resid 109  and name HN  ))
       2.900     1.000     1.000 peak   564 spectrum    4 weight  0.10000E+01 volume  0.22172E-02 ppm1      4.085 ppm2      7.213 CV     1
  ASSI {  565}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 74   and name HE22))
       4.400     2.400     1.600 peak   565 spectrum    4 weight  0.10000E+01 volume  0.64840E-03 ppm1      4.133 ppm2      7.263 CV     1
  ASSI {  566}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 74   and name HN  ))
       2.600     0.900     0.900 peak   566 spectrum    4 weight  0.10000E+01 volume  0.43265E-02 ppm1      4.135 ppm2      6.620 CV     1
  ASSI {  567}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 74   and name HE21))
       3.700     1.800     1.800 peak   567 spectrum    4 weight  0.10000E+01 volume  0.59840E-03 ppm1      4.138 ppm2      6.368 CV     1
  ASSI {  568}
    (( segid "    " and resid 74   and name HA  ))
    (( segid "    " and resid 75   and name HN  ))
       2.900     1.000     1.000 peak   568 spectrum    4 weight  0.10000E+01 volume  0.40363E-02 ppm1      4.144 ppm2      6.875 CV     1
  ASSI {  569}
    (( segid "    " and resid 111  and name HA  ))
    (( segid "    " and resid 111  and name HN  ))
       2.900     1.100     1.100 peak   569 spectrum    4 weight  0.10000E+01 volume  0.22787E-02 ppm1      4.149 ppm2      7.543 CV     1
  ASSI {  570}
    (( segid "    " and resid 95   and name HA  ))
    (( segid "    " and resid 96   and name HN  ))
       3.100     1.200     1.200 peak   570 spectrum    4 weight  0.10000E+01 volume  0.25379E-02 ppm1      4.152 ppm2      8.211 CV     1
  ASSI {  573}
    (( segid "    " and resid 77   and name HA1 ))
    (( segid "    " and resid 78   and name HN  ))
       2.700     0.900     0.900 peak   573 spectrum    4 weight  0.10000E+01 volume  0.60310E-02 ppm1      4.182 ppm2      8.272 CV     1
  ASSI {  574}
    (( segid "    " and resid 77   and name HA1 ))
    (( segid "    " and resid 77   and name HN  ))
       2.400     0.700     0.700 peak   574 spectrum    4 weight  0.10000E+01 volume  0.44853E-02 ppm1      4.183 ppm2      7.365 CV     1
  ASSI {  576}
    (( segid "    " and resid 27   and name HA  ))
    (( segid "    " and resid 27   and name HN  ))
       2.900     1.000     1.000 peak   576 spectrum    4 weight  0.10000E+01 volume  0.33759E-02 ppm1      4.197 ppm2      8.178 CV     1
  ASSI {  577}
    (( segid "    " and resid 92   and name HA  ))
    (( segid "    " and resid 92   and name HN  ))
       2.900     1.100     1.100 peak   577 spectrum    4 weight  0.10000E+01 volume  0.24794E-02 ppm1      4.198 ppm2      8.824 CV     1
  ASSI {  578}
    (( segid "    " and resid 28   and name HA  ))
    (( segid "    " and resid 29   and name HN  ))
       2.200     0.600     0.600 peak   578 spectrum    4 weight  0.10000E+01 volume  0.13755E-01 ppm1      4.203 ppm2      7.678 CV     1
  ASSI {  579}
    (( segid "    " and resid 69   and name HA  ))
    (( segid "    " and resid 69   and name HN  ))
       2.600     0.800     0.800 peak   579 spectrum    4 weight  0.10000E+01 volume  0.43194E-02 ppm1      4.206 ppm2      9.522 CV     1
  ASSI {  581}
    (( segid "    " and resid 89   and name HB3 ))
    (( segid "    " and resid 89   and name HN  ))
       3.400     1.400     1.400 peak   581 spectrum    4 weight  0.10000E+01 volume  0.11367E-02 ppm1      4.238 ppm2     11.662 CV     1
  ASSI {  583}
    (( segid "    " and resid 112  and name HA  ))
    (( segid "    " and resid 112  and name HN  ))
       2.800     1.000     1.000 peak   583 spectrum    4 weight  0.10000E+01 volume  0.29695E-02 ppm1      4.242 ppm2      7.451 CV     1
  ASSI {  584}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       3.200     1.300     1.300 peak   584 spectrum    4 weight  0.10000E+01 volume  0.18486E-02 ppm1      4.243 ppm2      7.489 CV     1
  ASSI {  585}
    (( segid "    " and resid 94   and name HA  ))
    (( segid "    " and resid 94   and name HN  ))
       2.400     0.700     0.700 peak   585 spectrum    4 weight  0.10000E+01 volume  0.62492E-02 ppm1      4.244 ppm2      9.032 CV     1
  ASSI {  586}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 47   and name HN  ))
       2.300     0.700     0.700 peak   586 spectrum    4 weight  0.10000E+01 volume  0.77469E-02 ppm1      4.250 ppm2      8.785 CV     1
  ASSI {  587}
    (( segid "    " and resid 121  and name HA  ))
    (( segid "    " and resid 121  and name HN  ))
       3.100     1.200     1.200 peak   587 spectrum    4 weight  0.10000E+01 volume  0.22176E-02 ppm1      4.258 ppm2      8.218 CV     1
  ASSI {  589}
    (( segid "    " and resid 46   and name HA  ))
    (( segid "    " and resid 46   and name HN  ))
       2.900     1.100     1.100 peak   589 spectrum    4 weight  0.10000E+01 volume  0.23835E-02 ppm1      4.261 ppm2      8.828 CV     1
  ASSI {  590}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 57   and name HN  ))
       2.900     1.000     1.000 peak   590 spectrum    4 weight  0.10000E+01 volume  0.24887E-02 ppm1      4.265 ppm2      8.329 CV     1
  ASSI {  592}
    (( segid "    " and resid 58   and name HB  ))
    (( segid "    " and resid 59   and name HN  ))
       3.100     1.200     1.200 peak   592 spectrum    4 weight  0.10000E+01 volume  0.18292E-02 ppm1      4.286 ppm2      8.894 CV     1
  ASSI {  593}
    (( segid "    " and resid 23   and name HA  ))
    (( segid "    " and resid 23   and name HN  ))
       2.700     0.900     0.900 peak   593 spectrum    4 weight  0.10000E+01 volume  0.50231E-02 ppm1      4.288 ppm2      8.326 CV     1
  ASSI {  594}
    (( segid "    " and resid 82   and name HA  ))
    (( segid "    " and resid 82   and name HN  ))
       2.700     0.900     0.900 peak   594 spectrum    4 weight  0.10000E+01 volume  0.44673E-02 ppm1      4.304 ppm2      7.654 CV     1
  ASSI {  597}
    (( segid "    " and resid 82   and name HA  ))
    (( segid "    " and resid 82   and name HD21))
       3.800     1.800     1.800 peak   597 spectrum    4 weight  0.10000E+01 volume  0.10302E-02 ppm1      4.308 ppm2      6.690 CV     1
  ASSI {  598}
    (( segid "    " and resid 82   and name HA  ))
    (( segid "    " and resid 83   and name HN  ))
       3.200     1.300     1.300 peak   598 spectrum    4 weight  0.10000E+01 volume  0.17043E-02 ppm1      4.312 ppm2      7.972 CV     1
  ASSI {  599}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 40   and name HN  ))
       3.300     1.400     1.400 peak   599 spectrum    4 weight  0.10000E+01 volume  0.10469E-02 ppm1      4.314 ppm2      7.753 CV     1
  ASSI {  600}
    (( segid "    " and resid 82   and name HA  ))
    (( segid "    " and resid 82   and name HD22))
       4.000     2.000     2.000 peak   600 spectrum    4 weight  0.10000E+01 volume  0.13546E-02 ppm1      4.314 ppm2      7.410 CV     1
  ASSI {  602}
    (( segid "    " and resid 38   and name HA  ))
    (( segid "    " and resid 39   and name HN  ))
       3.300     1.400     1.400 peak   602 spectrum    4 weight  0.10000E+01 volume  0.12868E-02 ppm1      4.326 ppm2      7.141 CV     1
  ASSI {  606}
    (( segid "    " and resid 102  and name HA1 ))
    (( segid "    " and resid 30   and name HN  ))
       3.600     1.600     1.600 peak   606 spectrum    4 weight  0.10000E+01 volume  0.73636E-03 ppm1      4.359 ppm2      7.984 CV     1
  ASSI {  607}
    (( segid "    " and resid 102  and name HA1 ))
    (( segid "    " and resid 103  and name HN  ))
       2.800     1.000     1.000 peak   607 spectrum    4 weight  0.10000E+01 volume  0.44262E-02 ppm1      4.360 ppm2      8.985 CV     1
  ASSI {  608}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 51   and name HN  ))
       2.400     0.700     0.700 peak   608 spectrum    4 weight  0.10000E+01 volume  0.49586E-02 ppm1      4.365 ppm2      9.222 CV     1
  ASSI {  609}
    (( segid "    " and resid 22   and name HA  ))
    (( segid "    " and resid 22   and name HN  ))
       2.900     1.100     1.100 peak   609 spectrum    4 weight  0.10000E+01 volume  0.29826E-02 ppm1      4.381 ppm2      8.227 CV     1
  ASSI {  610}
    (( segid "    " and resid 86   and name HA  ))
    (( segid "    " and resid 87   and name HN  ))
       3.000     1.100     1.100 peak   610 spectrum    4 weight  0.10000E+01 volume  0.23057E-02 ppm1      4.382 ppm2      8.927 CV     1
  ASSI {  611}
    (( segid "    " and resid 50   and name HA  ))
    (( segid "    " and resid 52   and name HN  ))
       4.100     2.100     1.900 peak   611 spectrum    4 weight  0.10000E+01 volume  0.66752E-03 ppm1      4.384 ppm2      8.478 CV     1
  ASSI {  612}
    (( segid "    " and resid 102  and name HA1 ))
    (( segid "    " and resid 102  and name HN  ))
       2.600     0.900     0.900 peak   612 spectrum    4 weight  0.10000E+01 volume  0.40939E-02 ppm1      4.391 ppm2      7.296 CV     1
  ASSI {  614}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 76   and name HN  ))
       3.100     1.200     1.200 peak   614 spectrum    4 weight  0.10000E+01 volume  0.14529E-02 ppm1      4.407 ppm2      9.322 CV     1
  ASSI {  616}
    (( segid "    " and resid 117  and name HA  ))
    (( segid "    " and resid 117  and name HN  ))
       2.500     0.800     0.800 peak   616 spectrum    4 weight  0.10000E+01 volume  0.80490E-02 ppm1      4.412 ppm2      8.569 CV     1
  ASSI {  617}
    (( segid "    " and resid 107  and name HA  ))
    (( segid "    " and resid 107  and name HN  ))
       2.800     1.000     1.000 peak   617 spectrum    4 weight  0.10000E+01 volume  0.32190E-02 ppm1      4.414 ppm2     10.913 CV     1
  ASSI {  620}
    (( segid "    " and resid 48   and name HA  ))
    (( segid "    " and resid 48   and name HN  ))
       2.700     0.900     0.900 peak   620 spectrum    4 weight  0.10000E+01 volume  0.22977E-02 ppm1      4.435 ppm2      8.457 CV     1
  ASSI {  626}
    (( segid "    " and resid 89   and name HB2 ))
    (( segid "    " and resid 89   and name HN  ))
       3.900     1.900     1.900 peak   626 spectrum    4 weight  0.10000E+01 volume  0.12266E-02 ppm1      4.516 ppm2     11.661 CV     1
  ASSI {  628}
    (( segid "    " and resid 104  and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       3.100     1.200     1.200 peak   628 spectrum    4 weight  0.10000E+01 volume  0.13463E-02 ppm1      4.550 ppm2      8.599 CV     1
  ASSI {  629}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 34   and name HN  ))
       2.300     0.700     0.700 peak   629 spectrum    4 weight  0.10000E+01 volume  0.61758E-02 ppm1      4.553 ppm2      9.699 CV     1
  ASSI {  630}
    (( segid "    " and resid 104  and name HA  ))
    (( segid "    " and resid 104  and name HN  ))
       2.900     1.000     1.000 peak   630 spectrum    4 weight  0.10000E+01 volume  0.22520E-02 ppm1      4.576 ppm2      8.724 CV     1
  ASSI {  631}
    (( segid "    " and resid 33   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       2.800     1.000     1.000 peak   631 spectrum    4 weight  0.10000E+01 volume  0.25470E-02 ppm1      4.582 ppm2      9.094 CV     1
  ASSI {  632}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 47   and name HN  ))
       3.500     1.600     1.600 peak   632 spectrum    4 weight  0.10000E+01 volume  0.82056E-03 ppm1      4.670 ppm2      8.787 CV     1
  ASSI {  633}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 41   and name HD21))
       4.200     2.200     1.800 peak   633 spectrum    4 weight  0.10000E+01 volume  0.44919E-03 ppm1      4.670 ppm2      7.421 CV     1
  ASSI {  634}
    (( segid "    " and resid 90   and name HA  ))
    (( segid "    " and resid 90   and name HN  ))
       2.400     0.700     0.700 peak   634 spectrum    4 weight  0.10000E+01 volume  0.70993E-02 ppm1      4.670 ppm2      9.255 CV     1
  ASSI {  635}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 41   and name HN  ))
       2.600     0.900     0.900 peak   635 spectrum    4 weight  0.10000E+01 volume  0.51881E-02 ppm1      4.671 ppm2      7.397 CV     1
  ASSI {  636}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 38   and name HE21))
       4.100     2.100     1.900 peak   636 spectrum    4 weight  0.10000E+01 volume  0.12686E-02 ppm1      4.673 ppm2      6.657 CV     1
  ASSI {  637}
    (( segid "    " and resid 41   and name HA  ))
    (( segid "    " and resid 41   and name HD22))
       5.000     3.100     1.000 peak   637 spectrum    4 weight  0.10000E+01 volume  0.41210E-03 ppm1      4.681 ppm2      6.488 CV     1
  ASSI {  638}
    (( segid "    " and resid 61   and name HA  ))
    (( segid "    " and resid 61   and name HN  ))
       2.500     0.800     0.800 peak   638 spectrum    4 weight  0.10000E+01 volume  0.51043E-02 ppm1      4.752 ppm2      7.794 CV     1
  ASSI {  639}
    (( segid "    " and resid 87   and name HA2 ))
    (( segid "    " and resid 87   and name HN  ))
       2.400     0.700     0.700 peak   639 spectrum    4 weight  0.10000E+01 volume  0.78139E-02 ppm1      4.816 ppm2      8.925 CV     1
  ASSI {  642}
    (( segid "    " and resid 85   and name HA  ))
    (( segid "    " and resid 85   and name HN  ))
       2.600     0.900     0.900 peak   642 spectrum    4 weight  0.10000E+01 volume  0.58694E-02 ppm1      4.841 ppm2      8.933 CV     1
  ASSI {  644}
    (( segid "    " and resid 89   and name HA  ))
    (( segid "    " and resid 90   and name HN  ))
       2.900     1.100     1.100 peak   644 spectrum    4 weight  0.10000E+01 volume  0.28133E-02 ppm1      4.921 ppm2      9.255 CV     1
  ASSI {  645}
    (( segid "    " and resid 89   and name HA  ))
    (( segid "    " and resid 89   and name HN  ))
       3.400     1.400     1.400 peak   645 spectrum    4 weight  0.10000E+01 volume  0.10843E-02 ppm1      4.927 ppm2     11.662 CV     1
  ASSI {  646}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 58   and name HN  ))
       4.200     2.200     1.800 peak   646 spectrum    4 weight  0.10000E+01 volume  0.13951E-02 ppm1      4.949 ppm2      8.640 CV     1
  ASSI {  647}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 50   and name HN  ))
       2.300     0.700     0.700 peak   647 spectrum    4 weight  0.10000E+01 volume  0.52899E-02 ppm1      4.952 ppm2      8.360 CV     1
  ASSI {  648}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 47   and name HE1 ))
       3.800     1.800     1.800 peak   648 spectrum    4 weight  0.10000E+01 volume  0.17376E-02 ppm1      4.955 ppm2      8.667 CV     1
  ASSI {  649}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 56   and name HN  ))
       3.200     1.200     1.200 peak   649 spectrum    4 weight  0.10000E+01 volume  0.10964E-02 ppm1      4.956 ppm2      8.133 CV     1
  ASSI {  650}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 57   and name HN  ))
       2.300     0.700     0.700 peak   650 spectrum    4 weight  0.10000E+01 volume  0.67353E-02 ppm1      4.962 ppm2      8.331 CV     1
  ASSI {  651}
    (( segid "    " and resid 49   and name HA  ))
    (( segid "    " and resid 49   and name HN  ))
       3.100     1.200     1.200 peak   651 spectrum    4 weight  0.10000E+01 volume  0.12476E-02 ppm1      4.964 ppm2      7.983 CV     1
  ASSI {  652}
    (( segid "    " and resid 87   and name HA1 ))
    (( segid "    " and resid 88   and name HN  ))
       3.700     1.700     1.700 peak   652 spectrum    4 weight  0.10000E+01 volume  0.78267E-03 ppm1      5.034 ppm2     10.926 CV     1
  ASSI {  653}
    (( segid "    " and resid 87   and name HA1 ))
    (( segid "    " and resid 87   and name HN  ))
       2.600     0.800     0.800 peak   653 spectrum    4 weight  0.10000E+01 volume  0.75897E-02 ppm1      5.064 ppm2      8.925 CV     1
  ASSI {  654}
    (( segid "    " and resid 103  and name HA  ))
    (( segid "    " and resid 54   and name HN  ))
       2.800     1.000     1.000 peak   654 spectrum    4 weight  0.10000E+01 volume  0.25542E-02 ppm1      5.077 ppm2      8.245 CV     1
  ASSI {  655}
    (( segid "    " and resid 42   and name HA  ))
    (( segid "    " and resid 42   and name HN  ))
       3.100     1.200     1.200 peak   655 spectrum    4 weight  0.10000E+01 volume  0.20764E-02 ppm1      5.081 ppm2      7.491 CV     1
  ASSI {  656}
    (( segid "    " and resid 103  and name HA  ))
    (( segid "    " and resid 103  and name HN  ))
       3.200     1.300     1.300 peak   656 spectrum    4 weight  0.10000E+01 volume  0.11736E-02 ppm1      5.089 ppm2      8.988 CV     1
  ASSI {  657}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       3.200     1.200     1.200 peak   657 spectrum    4 weight  0.10000E+01 volume  0.14917E-02 ppm1      5.098 ppm2      8.599 CV     1
  ASSI {  658}
    (( segid "    " and resid 32   and name HA  ))
    (( segid "    " and resid 33   and name HN  ))
       2.300     0.700     0.700 peak   658 spectrum    4 weight  0.10000E+01 volume  0.90282E-02 ppm1      5.101 ppm2      9.093 CV     1
  ASSI {  659}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 60   and name HN  ))
       2.800     1.000     1.000 peak   659 spectrum    4 weight  0.10000E+01 volume  0.34416E-02 ppm1      5.138 ppm2      8.080 CV     1
  ASSI {  660}
    (( segid "    " and resid 84   and name HA  ))
    (( segid "    " and resid 84   and name HN  ))
       3.000     1.100     1.100 peak   660 spectrum    4 weight  0.10000E+01 volume  0.22125E-02 ppm1      5.408 ppm2      8.758 CV     1
  ASSI {  661}
    (( segid "    " and resid 84   and name HA  ))
    (( segid "    " and resid 85   and name HN  ))
       3.200     1.300     1.300 peak   661 spectrum    4 weight  0.10000E+01 volume  0.16925E-02 ppm1      5.415 ppm2      8.932 CV     1
  ASSI {  662}
    (( segid "    " and resid 67   and name HA1 ))
    (( segid "    " and resid 67   and name HN  ))
       3.100     1.200     1.200 peak   662 spectrum    4 weight  0.10000E+01 volume  0.12911E-02 ppm1      5.643 ppm2     10.285 CV     1
  ASSI {  663}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 32   and name HN  ))
       2.400     0.700     0.700 peak   663 spectrum    4 weight  0.10000E+01 volume  0.58650E-02 ppm1      5.654 ppm2      8.600 CV     1
  ASSI {  664}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 31   and name HN  ))
       3.100     1.200     1.200 peak   664 spectrum    4 weight  0.10000E+01 volume  0.15586E-02 ppm1      5.655 ppm2      8.052 CV     1
  ASSI {  665}
    (( segid "    " and resid 67   and name HA1 ))
    (( segid "    " and resid 68   and name HN  ))
       2.600     0.800     0.800 peak   665 spectrum    4 weight  0.10000E+01 volume  0.40183E-02 ppm1      5.668 ppm2      9.891 CV     1
  ASSI {  666}
    (( segid "    " and resid 68   and name HA  ))
    (( segid "    " and resid 69   and name HN  ))
       3.300     1.300     1.300 peak   666 spectrum    4 weight  0.10000E+01 volume  0.17881E-02 ppm1      5.738 ppm2      9.522 CV     1
  ASSI {  668}
    (( segid "    " and resid 67   and name HA2 ))
    (( segid "    " and resid 68   and name HN  ))
       2.800     1.000     1.000 peak   668 spectrum    4 weight  0.10000E+01 volume  0.32654E-02 ppm1      5.972 ppm2      9.891 CV     1
  ASSI {  669}
    (( segid "    " and resid 67   and name HA2 ))
    (( segid "    " and resid 67   and name HN  ))
       3.600     1.600     1.600 peak   669 spectrum    4 weight  0.10000E+01 volume  0.11380E-02 ppm1      5.976 ppm2     10.283 CV     1
  ASSI {  670}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 47   and name HN  ))
       3.100     1.200     1.200 peak   670 spectrum    4 weight  0.10000E+01 volume  0.13387E-02 ppm1      6.129 ppm2      8.784 CV     1
  ASSI {  671}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 57   and name HN  ))
       3.400     1.500     1.500 peak   671 spectrum    4 weight  0.10000E+01 volume  0.21774E-02 ppm1      6.136 ppm2      8.328 CV     1
  ASSI {  672}
    (( segid "    " and resid 47   and name HA  ))
    (( segid "    " and resid 47   and name HE1 ))
       4.700     2.800     1.300 peak   672 spectrum    4 weight  0.10000E+01 volume  0.93075E-03 ppm1      6.150 ppm2      8.664 CV     1
  ASSI {  675}
    (  segid "    " and resid 32   and name HE% )
    (( segid "    " and resid 103  and name HN  ))
       4.200     2.200     1.800 peak   675 spectrum    4 weight  0.10000E+01 volume  0.88290E-03 ppm1      6.500 ppm2      8.986 CV     1
  ASSI {  677}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 100  and name HN  ))
       3.200     1.300     1.300 peak   677 spectrum    4 weight  0.10000E+01 volume  0.22441E-02 ppm1      6.514 ppm2      6.819 CV     1
  OR {  677}
    (  segid "    " and resid 55   and name HE% )
    (( segid "    " and resid 100  and name HN  ))
  ASSI {  678}
    (  segid "    " and resid 32   and name HE% )
    (( segid "    " and resid 32   and name HN  ))
       4.600     2.700     1.400 peak   678 spectrum    4 weight  0.10000E+01 volume  0.51840E-03 ppm1      6.526 ppm2      8.594 CV     1
  ASSI {  680}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 99   and name HN  ))
       3.500     1.600     1.600 peak   680 spectrum    4 weight  0.10000E+01 volume  0.21952E-02 ppm1      6.540 ppm2      7.288 CV     1
  OR {  680}
    (  segid "    " and resid 55   and name HE% )
    (( segid "    " and resid 99   and name HN  ))
  ASSI {  681}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 55   and name HN  ))
       2.600     0.800     0.800 peak   681 spectrum    4 weight  0.10000E+01 volume  0.36789E-02 ppm1      6.557 ppm2      8.792 CV     1
  ASSI {  685}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 48   and name HN  ))
       4.100     2.100     1.900 peak   685 spectrum    4 weight  0.10000E+01 volume  0.99001E-03 ppm1      6.572 ppm2      8.457 CV     1
  ASSI {  686}
    (  segid "    " and resid 55   and name HD% )
    (( segid "    " and resid 56   and name HN  ))
       4.400     2.400     1.600 peak   686 spectrum    4 weight  0.10000E+01 volume  0.72466E-03 ppm1      6.576 ppm2      8.127 CV     1
  ASSI {  687}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 75   and name HN  ))
       2.000     0.500     0.500 peak   687 spectrum    4 weight  0.10000E+01 volume  0.11803E-01 ppm1      6.601 ppm2      6.876 CV     1
  ASSI {  688}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 73   and name HN  ))
       2.400     0.700     0.700 peak   688 spectrum    4 weight  0.10000E+01 volume  0.54705E-02 ppm1      6.620 ppm2      8.115 CV     1
  ASSI {  689}
    (( segid "    " and resid 47   and name HD1 ))
    (( segid "    " and resid 47   and name HN  ))
       3.600     1.600     1.600 peak   689 spectrum    4 weight  0.10000E+01 volume  0.11189E-02 ppm1      6.671 ppm2      8.785 CV     1
  ASSI {  691}
    (( segid "    " and resid 47   and name HD1 ))
    (( segid "    " and resid 47   and name HE1 ))
       2.200     0.600     0.600 peak   691 spectrum    4 weight  0.10000E+01 volume  0.13017E-01 ppm1      6.674 ppm2      8.666 CV     1
  OR {  691}
    (( segid "    " and resid 47   and name HZ2 ))
    (( segid "    " and resid 47   and name HE1 ))
  ASSI {  692}
    (( segid "    " and resid 47   and name HD1 ))
    (( segid "    " and resid 57   and name HN  ))
       3.400     1.400     1.400 peak   692 spectrum    4 weight  0.10000E+01 volume  0.14032E-02 ppm1      6.688 ppm2      8.330 CV     1
  ASSI {  693}
    (( segid "    " and resid 40   and name HD2 ))
    (( segid "    " and resid 40   and name HN  ))
       3.300     1.400     1.400 peak   693 spectrum    4 weight  0.10000E+01 volume  0.28204E-02 ppm1      6.793 ppm2      7.753 CV     1
  ASSI {  694}
    (( segid "    " and resid 40   and name HD2 ))
    (( segid "    " and resid 39   and name HN  ))
       3.500     3.500     2.500 peak   694 spectrum    4 weight  0.10000E+01 volume  0.18903E-02 ppm1      6.810 ppm2      7.139 CV     1
  ASSI {  695}
    (( segid "    " and resid 100  and name HN  ))
    (( segid "    " and resid 99   and name HN  ))
       1.800     0.400     0.400 peak   695 spectrum    4 weight  0.10000E+01 volume  0.70482E-02 ppm1      6.813 ppm2      7.289 CV     1
  ASSI {  698}
    (  segid "    " and resid 32   and name HD% )
    (( segid "    " and resid 31   and name HN  ))
       3.200     1.300     1.300 peak   698 spectrum    4 weight  0.10000E+01 volume  0.14650E-02 ppm1      6.815 ppm2      8.052 CV     1
  ASSI {  699}
    (  segid "    " and resid 32   and name HD% )
    (( segid "    " and resid 103  and name HN  ))
       3.100     1.200     1.200 peak   699 spectrum    4 weight  0.10000E+01 volume  0.16232E-02 ppm1      6.827 ppm2      8.984 CV     1
  ASSI {  702}
    (  segid "    " and resid 32   and name HD% )
    (( segid "    " and resid 33   and name HN  ))
       3.500     1.500     1.500 peak   702 spectrum    4 weight  0.10000E+01 volume  0.14936E-02 ppm1      6.852 ppm2      9.094 CV     1
  ASSI {  703}
    (( segid "    " and resid 105  and name HD2 ))
    (( segid "    " and resid 105  and name HN  ))
       4.100     2.100     1.900 peak   703 spectrum    4 weight  0.10000E+01 volume  0.67188E-03 ppm1      6.855 ppm2      9.085 CV     1
  ASSI {  708}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 38   and name HN  ))
       2.700     0.900     0.900 peak   708 spectrum    4 weight  0.10000E+01 volume  0.24162E-02 ppm1      7.136 ppm2      8.090 CV     1
  ASSI {  709}
    (( segid "    " and resid 39   and name HN  ))
    (( segid "    " and resid 40   and name HN  ))
       2.500     0.800     0.800 peak   709 spectrum    4 weight  0.10000E+01 volume  0.49972E-02 ppm1      7.137 ppm2      7.754 CV     1
  ASSI {  710}
    (( segid "    " and resid 64   and name HD1 ))
    (( segid "    " and resid 64   and name HN  ))
       4.100     2.100     1.900 peak   710 spectrum    4 weight  0.10000E+01 volume  0.22778E-02 ppm1      7.157 ppm2      8.860 CV     1
  ASSI {  712}
    (( segid "    " and resid 109  and name HN  ))
    (( segid "    " and resid 107  and name HN  ))
       3.800     1.800     1.800 peak   712 spectrum    4 weight  0.10000E+01 volume  0.80365E-03 ppm1      7.204 ppm2     10.912 CV     1
  ASSI {  713}
    (( segid "    " and resid 109  and name HN  ))
    (( segid "    " and resid 108  and name HN  ))
       2.200     0.600     0.600 peak   713 spectrum    4 weight  0.10000E+01 volume  0.39899E-02 ppm1      7.210 ppm2      8.104 CV     1
  ASSI {  714}
    (( segid "    " and resid 71   and name HN  ))
    (( segid "    " and resid 70   and name HN  ))
       2.700     0.900     0.900 peak   714 spectrum    4 weight  0.10000E+01 volume  0.28566E-02 ppm1      7.261 ppm2      9.218 CV     1
  ASSI {  715}
    (( segid "    " and resid 71   and name HN  ))
    (( segid "    " and resid 72   and name HN  ))
       2.300     0.700     0.700 peak   715 spectrum    4 weight  0.10000E+01 volume  0.61857E-02 ppm1      7.261 ppm2      8.384 CV     1
  ASSI {  719}
    (( segid "    " and resid 102  and name HN  ))
    (( segid "    " and resid 103  and name HN  ))
       4.700     2.700     1.300 peak   719 spectrum    4 weight  0.10000E+01 volume  0.39230E-03 ppm1      7.282 ppm2      8.984 CV     1
  ASSI {  723}
    (( segid "    " and resid 98   and name HN  ))
    (( segid "    " and resid 97   and name HN  ))
       2.600     0.900     0.900 peak   723 spectrum    4 weight  0.10000E+01 volume  0.39239E-02 ppm1      7.408 ppm2      7.189 CV     1
  ASSI {  725}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 44   and name HN  ))
       4.900     3.000     1.100 peak   725 spectrum    4 weight  0.10000E+01 volume  0.41845E-03 ppm1      7.479 ppm2      8.404 CV     1
  ASSI {  726}
    (( segid "    " and resid 42   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
       3.000     1.100     1.100 peak   726 spectrum    4 weight  0.10000E+01 volume  0.31470E-02 ppm1      7.486 ppm2      7.029 CV     1
  ASSI {  727}
    (  segid "    " and resid 60   and name HD% )
    (( segid "    " and resid 60   and name HN  ))
       3.800     1.800     1.800 peak   727 spectrum    4 weight  0.10000E+01 volume  0.21255E-02 ppm1      7.508 ppm2      8.081 CV     1
  ASSI {  729}
    (  segid "    " and resid 60   and name HD% )
    (( segid "    " and resid 64   and name HN  ))
       4.200     2.200     1.800 peak   729 spectrum    4 weight  0.10000E+01 volume  0.58482E-03 ppm1      7.519 ppm2      8.865 CV     1
  ASSI {  730}
    (( segid "    " and resid 111  and name HN  ))
    (( segid "    " and resid 107  and name HN  ))
       2.300     2.300     3.700 peak   730 spectrum    4 weight  0.10000E+01 volume  0.19687E-02 ppm1      7.572 ppm2     10.915 CV     1
  ASSI {  731}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 37   and name HN  ))
       2.500     0.800     0.800 peak   731 spectrum    4 weight  0.10000E+01 volume  0.29689E-02 ppm1      7.579 ppm2      8.431 CV     1
  ASSI {  732}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       2.500     0.800     0.800 peak   732 spectrum    4 weight  0.10000E+01 volume  0.37925E-02 ppm1      7.580 ppm2      8.365 CV     1
  ASSI {  733}
    (( segid "    " and resid 36   and name HN  ))
    (( segid "    " and resid 38   and name HN  ))
       3.600     1.700     0.700 peak   733 spectrum    4 weight  0.10000E+01 volume  0.10613E-02 ppm1      7.605 ppm2      8.084 CV     1
  ASSI {  735}
    (( segid "    " and resid 82   and name HN  ))
    (( segid "    " and resid 81   and name HN  ))
       2.500     0.800     0.800 peak   735 spectrum    4 weight  0.10000E+01 volume  0.60173E-02 ppm1      7.657 ppm2      8.522 CV     1
  ASSI {  736}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 28   and name HN  ))
       3.400     1.500     1.500 peak   736 spectrum    4 weight  0.10000E+01 volume  0.20754E-02 ppm1      7.661 ppm2      8.107 CV     1
  ASSI {  737}
    (( segid "    " and resid 29   and name HN  ))
    (( segid "    " and resid 30   and name HN  ))
       4.200     2.200     1.800 peak   737 spectrum    4 weight  0.10000E+01 volume  0.11251E-02 ppm1      7.675 ppm2      7.982 CV     1
  ASSI {  738}
    (( segid "    " and resid 40   and name HN  ))
    (( segid "    " and resid 41   and name HN  ))
       3.200     1.300     1.300 peak   738 spectrum    4 weight  0.10000E+01 volume  0.13983E-02 ppm1      7.745 ppm2      7.396 CV     1
  ASSI {  744}
    (( segid "    " and resid 61   and name HN  ))
    (( segid "    " and resid 62   and name HN  ))
       2.400     0.700     0.700 peak   744 spectrum    4 weight  0.10000E+01 volume  0.40379E-02 ppm1      7.787 ppm2      8.505 CV     1
  ASSI {  747}
    (( segid "    " and resid 83   and name HN  ))
    (( segid "    " and resid 82   and name HN  ))
       2.500     0.800     0.800 peak   747 spectrum    4 weight  0.10000E+01 volume  0.43206E-02 ppm1      7.967 ppm2      7.654 CV     1
  ASSI {  748}
    (( segid "    " and resid 49   and name HN  ))
    (( segid "    " and resid 48   and name HN  ))
       4.100     2.100     1.900 peak   748 spectrum    4 weight  0.10000E+01 volume  0.61758E-03 ppm1      7.979 ppm2      8.459 CV     1
  ASSI {  749}
    (( segid "    " and resid 31   and name HN  ))
    (( segid "    " and resid 32   and name HN  ))
       4.200     2.200     1.800 peak   749 spectrum    4 weight  0.10000E+01 volume  0.70520E-03 ppm1      8.045 ppm2      8.601 CV     1
  ASSI {  751}
    (( segid "    " and resid 60   and name HN  ))
    (( segid "    " and resid 61   and name HN  ))
       2.200     0.600     0.600 peak   751 spectrum    4 weight  0.10000E+01 volume  0.76348E-02 ppm1      8.074 ppm2      7.794 CV     1
  ASSI {  752}
    (( segid "    " and resid 60   and name HN  ))
    (( segid "    " and resid 59   and name HN  ))
       3.000     1.100     1.100 peak   752 spectrum    4 weight  0.10000E+01 volume  0.19192E-02 ppm1      8.077 ppm2      8.894 CV     1
  ASSI {  753}
    (( segid "    " and resid 38   and name HN  ))
    (( segid "    " and resid 37   and name HN  ))
       2.600     0.800     0.800 peak   753 spectrum    4 weight  0.10000E+01 volume  0.29347E-02 ppm1      8.083 ppm2      8.431 CV     1
  ASSI {  755}
    (( segid "    " and resid 86   and name HN  ))
    (( segid "    " and resid 85   and name HN  ))
       2.700     0.900     0.900 peak   755 spectrum    4 weight  0.10000E+01 volume  0.40653E-02 ppm1      8.088 ppm2      8.932 CV     1
  ASSI {  756}
    (( segid "    " and resid 73   and name HN  ))
    (( segid "    " and resid 72   and name HN  ))
       2.400     0.700     0.700 peak   756 spectrum    4 weight  0.10000E+01 volume  0.51118E-02 ppm1      8.091 ppm2      8.385 CV     1
  ASSI {  757}
    (( segid "    " and resid 86   and name HN  ))
    (( segid "    " and resid 87   and name HN  ))
       2.900     1.100     1.100 peak   757 spectrum    4 weight  0.10000E+01 volume  0.29250E-02 ppm1      8.098 ppm2      8.924 CV     1
  ASSI {  758}
    (( segid "    " and resid 108  and name HN  ))
    (( segid "    " and resid 107  and name HN  ))
       2.300     0.600     0.600 peak   758 spectrum    4 weight  0.10000E+01 volume  0.37103E-02 ppm1      8.098 ppm2     10.914 CV     1
  ASSI {  761}
    (( segid "    " and resid 96   and name HN  ))
    (( segid "    " and resid 95   and name HN  ))
       2.300     0.700     0.700 peak   761 spectrum    4 weight  0.10000E+01 volume  0.48400E-02 ppm1      8.189 ppm2      8.475 CV     1
  ASSI {  762}
    (( segid "    " and resid 96   and name HN  ))
    (( segid "    " and resid 97   and name HN  ))
       2.500     0.800     0.800 peak   762 spectrum    4 weight  0.10000E+01 volume  0.39196E-02 ppm1      8.198 ppm2      7.190 CV     1
  ASSI {  763}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 102  and name HN  ))
       3.000     1.100     1.100 peak   763 spectrum    4 weight  0.10000E+01 volume  0.17575E-02 ppm1      8.222 ppm2      7.297 CV     1
  ASSI {  764}
    (( segid "    " and resid 63   and name HN  ))
    (( segid "    " and resid 62   and name HN  ))
       2.100     0.600     0.600 peak   764 spectrum    4 weight  0.10000E+01 volume  0.88713E-02 ppm1      8.222 ppm2      8.503 CV     1
  ASSI {  765}
    (( segid "    " and resid 91   and name HN  ))
    (( segid "    " and resid 90   and name HN  ))
       3.600     1.600     1.600 peak   765 spectrum    4 weight  0.10000E+01 volume  0.60419E-03 ppm1      8.244 ppm2      9.257 CV     1
  ASSI {  766}
    (( segid "    " and resid 63   and name HN  ))
    (( segid "    " and resid 64   and name HN  ))
       2.200     0.600     0.600 peak   766 spectrum    4 weight  0.10000E+01 volume  0.76675E-02 ppm1      8.245 ppm2      8.861 CV     1
  ASSI {  768}
    (( segid "    " and resid 78   and name HN  ))
    (( segid "    " and resid 77   and name HN  ))
       3.300     1.300     1.300 peak   768 spectrum    4 weight  0.10000E+01 volume  0.13791E-02 ppm1      8.272 ppm2      7.364 CV     1
  ASSI {  770}
    (( segid "    " and resid 79   and name HN  ))
    (( segid "    " and resid 80   and name HN  ))
       2.500     0.800     0.800 peak   770 spectrum    4 weight  0.10000E+01 volume  0.41163E-02 ppm1      8.299 ppm2      7.837 CV     1
  ASSI {  772}
    (( segid "    " and resid 57   and name HN  ))
    (( segid "    " and resid 58   and name HN  ))
       2.600     0.800     0.800 peak   772 spectrum    4 weight  0.10000E+01 volume  0.39049E-02 ppm1      8.322 ppm2      8.642 CV     1
  ASSI {  774}
    (( segid "    " and resid 44   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
       3.000     1.100     1.100 peak   774 spectrum    4 weight  0.10000E+01 volume  0.27138E-02 ppm1      8.376 ppm2      7.031 CV     1
  ASSI {  780}
    (( segid "    " and resid 52   and name HN  ))
    (( segid "    " and resid 51   and name HN  ))
       3.300     1.300     1.300 peak   780 spectrum    4 weight  0.10000E+01 volume  0.13555E-02 ppm1      8.457 ppm2      9.220 CV     1
  ASSI {  781}
    (( segid "    " and resid 95   and name HN  ))
    (( segid "    " and resid 94   and name HN  ))
       2.100     0.500     0.500 peak   781 spectrum    4 weight  0.10000E+01 volume  0.59544E-02 ppm1      8.472 ppm2      9.033 CV     1
  ASSI {  786}
    (( segid "    " and resid 62   and name HN  ))
    (( segid "    " and resid 64   and name HN  ))
       3.800     1.800     1.800 peak   786 spectrum    4 weight  0.10000E+01 volume  0.13509E-02 ppm1      8.523 ppm2      8.860 CV     1
  ASSI {  787}
    (( segid "    " and resid 101  and name HN  ))
    (( segid "    " and resid 100  and name HN  ))
       3.700     1.700     1.700 peak   787 spectrum    4 weight  0.10000E+01 volume  0.69887E-03 ppm1      8.533 ppm2      6.819 CV     1
  ASSI {  788}
    (( segid "    " and resid 101  and name HN  ))
    (( segid "    " and resid 102  and name HN  ))
       2.200     0.600     0.600 peak   788 spectrum    4 weight  0.10000E+01 volume  0.79524E-02 ppm1      8.546 ppm2      7.296 CV     1
  ASSI {  790}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 105  and name HN  ))
       3.200     1.300     1.300 peak   790 spectrum    4 weight  0.10000E+01 volume  0.12016E-02 ppm1      8.622 ppm2      9.085 CV     1
  ASSI {  792}
    (( segid "    " and resid 84   and name HN  ))
    (( segid "    " and resid 83   and name HN  ))
       2.700     0.900     0.900 peak   792 spectrum    4 weight  0.10000E+01 volume  0.26227E-02 ppm1      8.755 ppm2      7.974 CV     1
  ASSI {  794}
    (( segid "    " and resid 92   and name HN  ))
    (( segid "    " and resid 91   and name HN  ))
       2.600     0.800     0.800 peak   794 spectrum    4 weight  0.10000E+01 volume  0.33871E-02 ppm1      8.815 ppm2      8.245 CV     1
  ASSI {  795}
    (( segid "    " and resid 46   and name HN  ))
    (( segid "    " and resid 45   and name HN  ))
       3.400     1.400     1.400 peak   795 spectrum    4 weight  0.10000E+01 volume  0.13417E-02 ppm1      8.821 ppm2      7.030 CV     1
  ASSI {  796}
    (( segid "    " and resid 92   and name HN  ))
    (( segid "    " and resid 93   and name HN  ))
       2.700     0.900     0.900 peak   796 spectrum    4 weight  0.10000E+01 volume  0.24835E-02 ppm1      8.827 ppm2      9.146 CV     1
  ASSI {  799}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 58   and name HN  ))
       3.400     1.500     1.500 peak   799 spectrum    4 weight  0.10000E+01 volume  0.14107E-02 ppm1      8.889 ppm2      8.645 CV     1
  ASSI {  806}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       4.200     2.200     1.800 peak   806 spectrum    4 weight  0.10000E+01 volume  0.62278E-03 ppm1      9.090 ppm2      8.366 CV     1
  ASSI {  807}
    (( segid "    " and resid 33   and name HN  ))
    (( segid "    " and resid 36   and name HN  ))
       3.900     1.900     0.900 peak   807 spectrum    4 weight  0.10000E+01 volume  0.58373E-03 ppm1      9.091 ppm2      7.593 CV     1
  ASSI {  811}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 69   and name HN  ))
       2.600     0.900     0.900 peak   811 spectrum    4 weight  0.10000E+01 volume  0.32691E-02 ppm1      9.209 ppm2      9.521 CV     1
  ASSI {  814}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 47   and name HN  ))
       3.400     1.500     1.500 peak   814 spectrum    4 weight  0.10000E+01 volume  0.71612E-03 ppm1      9.314 ppm2      8.774 CV     1
  ASSI {  815}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 77   and name HN  ))
       2.300     0.600     0.600 peak   815 spectrum    4 weight  0.10000E+01 volume  0.40983E-02 ppm1      9.321 ppm2      7.364 CV     1
  ASSI {  816}
    (( segid "    " and resid 76   and name HN  ))
    (( segid "    " and resid 75   and name HN  ))
       3.700     1.700     1.700 peak   816 spectrum    4 weight  0.10000E+01 volume  0.14272E-02 ppm1      9.322 ppm2      6.875 CV     1
  ASSI {  819}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 36   and name HN  ))
       4.600     2.600     1.400 peak   819 spectrum    4 weight  0.10000E+01 volume  0.34310E-03 ppm1      9.689 ppm2      7.594 CV     1
  ASSI {  820}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 33   and name HN  ))
       4.500     2.500     1.500 peak   820 spectrum    4 weight  0.10000E+01 volume  0.57299E-03 ppm1      9.694 ppm2      9.093 CV     1
  ASSI {  821}
    (( segid "    " and resid 34   and name HN  ))
    (( segid "    " and resid 35   and name HN  ))
       2.600     0.800     0.800 peak   821 spectrum    4 weight  0.10000E+01 volume  0.37698E-02 ppm1      9.694 ppm2      8.364 CV     1
  ASSI {  822}
    (( segid "    " and resid 68   and name HN  ))
    (( segid "    " and resid 69   and name HN  ))
       2.600     0.800     0.800 peak   822 spectrum    4 weight  0.10000E+01 volume  0.25804E-02 ppm1      9.878 ppm2      9.522 CV     1
  ASSI {  823}
    (( segid "    " and resid 67   and name HN  ))
    (( segid "    " and resid 68   and name HN  ))
       4.400     2.400     1.600 peak   823 spectrum    4 weight  0.10000E+01 volume  0.62290E-03 ppm1     10.283 ppm2      9.887 CV     1
  ASSI {  826}
    (( segid "    " and resid 88   and name HN  ))
    (( segid "    " and resid 87   and name HN  ))
       3.900     1.900     1.900 peak   826 spectrum    4 weight  0.10000E+01 volume  0.13003E-02 ppm1     10.921 ppm2      8.926 CV     1
  ASSI {  827}
    (  segid "    " and resid 64   and name HMB%)
    (( segid "    " and resid 96   and name HN  ))
       3.600     3.600     2.400 peak   827 spectrum    4 weight  0.10000E+01 volume  0.19644E-02 ppm1     11.612 ppm2      8.211 CV     1
  ASSI {  829}
    (( segid "    " and resid 89   and name HN  ))
    (( segid "    " and resid 90   and name HN  ))
       4.300     2.300     1.700 peak   829 spectrum    4 weight  0.10000E+01 volume  0.26839E-03 ppm1     11.652 ppm2      9.250 CV     1
  ASSI {  830}
    (( segid "    " and resid 99   and name HB3 ))
    (( segid "    " and resid 56   and name HN  ))
       2.900     1.100     1.100 peak   830 spectrum    4 weight  0.10000E+01 volume  0.13271E-02 ppm1      2.534 ppm2      8.122 CV     1
  ASSI {  831}
    (( segid "    " and resid 30   and name HN  ))
    (( segid "    " and resid 103  and name HN  ))
       3.900     1.900     1.900 peak   831 spectrum    4 weight  0.10000E+01 volume  0.57233E-03 ppm1      8.000 ppm2      8.980 CV     1
  ASSI {  832}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 103  and name HN  ))
       3.000     1.100     1.100 peak   832 spectrum    4 weight  0.10000E+01 volume  0.16640E-02 ppm1      5.648 ppm2      8.990 CV     1
  ASSI {  833}
    (( segid "    " and resid 31   and name HA  ))
    (( segid "    " and resid 105  and name HN  ))
       4.600     2.600     1.400 peak   833 spectrum    4 weight  0.10000E+01 volume  0.49377E-03 ppm1      5.656 ppm2      9.082 CV     1
  ASSI {  834}
    (( segid "    " and resid 32   and name HN  ))
    (( segid "    " and resid 103  and name HN  ))
       3.600     1.700     1.700 peak   834 spectrum    4 weight  0.10000E+01 volume  0.12547E-02 ppm1      8.626 ppm2      8.984 CV     1
  ASSI {  837}
    (( segid "    " and resid 51   and name HN  ))
    (( segid "    " and resid 80   and name HN  ))
       4.400     2.400     1.600 peak   837 spectrum    4 weight  0.10000E+01 volume  0.60851E-03 ppm1      9.210 ppm2      7.837 CV     1
  ASSI {  838}
    (( segid "    " and resid 52   and name HA  ))
    (( segid "    " and resid 104  and name HN  ))
       3.600     1.700     1.700 peak   838 spectrum    4 weight  0.10000E+01 volume  0.82610E-03 ppm1      3.801 ppm2      8.732 CV     1
  ASSI {  840}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 48   and name HN  ))
       4.300     2.300     1.700 peak   840 spectrum    4 weight  0.10000E+01 volume  0.44371E-03 ppm1      4.043 ppm2      8.456 CV     1
  ASSI {  841}
    (( segid "    " and resid 54   and name HA  ))
    (( segid "    " and resid 50   and name HN  ))
       4.000     2.000     2.000 peak   841 spectrum    4 weight  0.10000E+01 volume  0.81872E-03 ppm1      4.053 ppm2      8.361 CV     1
  ASSI {  842}
    (( segid "    " and resid 54   and name HN  ))
    (( segid "    " and resid 104  and name HN  ))
       3.900     1.900     1.900 peak   842 spectrum    4 weight  0.10000E+01 volume  0.12094E-02 ppm1      8.278 ppm2      8.728 CV     1
  ASSI {  843}
    (( segid "    " and resid 55   and name HN  ))
    (( segid "    " and resid 48   and name HN  ))
       2.700     0.900     0.900 peak   843 spectrum    4 weight  0.10000E+01 volume  0.24720E-02 ppm1      8.780 ppm2      8.457 CV     1
  ASSI {  844}
    (( segid "    " and resid 56   and name HA  ))
    (( segid "    " and resid 48   and name HN  ))
       3.700     1.700     1.700 peak   844 spectrum    4 weight  0.10000E+01 volume  0.10451E-02 ppm1      4.955 ppm2      8.456 CV     1
  ASSI {  845}
    (( segid "    " and resid 56   and name HN  ))
    (( segid "    " and resid 99   and name HN  ))
       4.900     3.000     1.100 peak   845 spectrum    4 weight  0.10000E+01 volume  0.46357E-03 ppm1      8.138 ppm2      7.294 CV     1
  ASSI {  846}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 60   and name HN  ))
       3.300     1.300     1.300 peak   846 spectrum    4 weight  0.10000E+01 volume  0.21104E-02 ppm1      4.272 ppm2      8.082 CV     1
  ASSI {  847}
    (( segid "    " and resid 57   and name HA  ))
    (( segid "    " and resid 61   and name HN  ))
       4.300     2.300     1.700 peak   847 spectrum    4 weight  0.10000E+01 volume  0.75819E-03 ppm1      4.257 ppm2      7.795 CV     1
  ASSI {  848}
    (( segid "    " and resid 58   and name HA  ))
    (( segid "    " and resid 61   and name HN  ))
       3.800     1.800     1.800 peak   848 spectrum    4 weight  0.10000E+01 volume  0.11701E-02 ppm1      3.673 ppm2      7.796 CV     1
  ASSI {  849}
    (( segid "    " and resid 59   and name HN  ))
    (( segid "    " and resid 61   and name HN  ))
       3.700     1.700     1.700 peak   849 spectrum    4 weight  0.10000E+01 volume  0.93131E-03 ppm1      8.866 ppm2      7.797 CV     1
  ASSI {  850}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 61   and name HN  ))
       3.000     1.100     1.100 peak   850 spectrum    4 weight  0.10000E+01 volume  0.19759E-02 ppm1      5.139 ppm2      7.796 CV     1
  ASSI {  851}
    (( segid "    " and resid 60   and name HA  ))
    (( segid "    " and resid 63   and name HN  ))
       3.000     1.200     1.200 peak   851 spectrum    4 weight  0.10000E+01 volume  0.17307E-02 ppm1      5.140 ppm2      8.245 CV     1
  ASSI {  852}
    (( segid "    " and resid 64   and name HAA2))
    (( segid "    " and resid 89   and name HN  ))
       3.400     3.400     2.600 peak   852 spectrum    4 weight  0.10000E+01 volume  0.12838E-02 ppm1      7.236 ppm2     11.662 CV     1
  ASSI {  853}
    (( segid "    " and resid 64   and name HBC2))
    (( segid "    " and resid 74   and name HN  ))
       3.700     1.700     1.700 peak   853 spectrum    4 weight  0.10000E+01 volume  0.80596E-03 ppm1     -0.630 ppm2      6.620 CV     1
  ASSI {  854}
    (( segid "    " and resid 64   and name HBC2))
    (( segid "    " and resid 75   and name HN  ))
       4.100     2.100     1.900 peak   854 spectrum    4 weight  0.10000E+01 volume  0.96058E-03 ppm1     -0.603 ppm2      6.879 CV     1
  ASSI {  855}
    (( segid "    " and resid 69   and name HA  ))
    (( segid "    " and resid 72   and name HN  ))
       2.900     1.100     1.100 peak   855 spectrum    4 weight  0.10000E+01 volume  0.24313E-02 ppm1      4.192 ppm2      8.384 CV     1
  ASSI {  856}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 68   and name HN  ))
       3.900     1.900     1.900 peak   856 spectrum    4 weight  0.10000E+01 volume  0.44645E-03 ppm1      9.210 ppm2      9.892 CV     1
  ASSI {  857}
    (( segid "    " and resid 70   and name HN  ))
    (( segid "    " and resid 72   and name HN  ))
       4.200     2.200     1.800 peak   857 spectrum    4 weight  0.10000E+01 volume  0.90721E-03 ppm1      9.211 ppm2      8.385 CV     1
  ASSI {  858}
    (( segid "    " and resid 71   and name HA  ))
    (( segid "    " and resid 74   and name HN  ))
       3.300     1.400     1.400 peak   858 spectrum    4 weight  0.10000E+01 volume  0.10009E-02 ppm1      3.104 ppm2      6.618 CV     1
  ASSI {  859}
    (( segid "    " and resid 71   and name HN  ))
    (( segid "    " and resid 69   and name HN  ))
       4.300     2.300     1.700 peak   859 spectrum    4 weight  0.10000E+01 volume  0.48864E-03 ppm1      7.262 ppm2      9.521 CV     1
  ASSI {  860}
    (( segid "    " and resid 71   and name HN  ))
    (( segid "    " and resid 74   and name HN  ))
       4.000     2.000     2.000 peak   860 spectrum    4 weight  0.10000E+01 volume  0.80518E-03 ppm1      7.291 ppm2      6.626 CV     1
  ASSI {  861}
    (( segid "    " and resid 73   and name HN  ))
    (( segid "    " and resid 75   and name HN  ))
       3.900     1.900     1.900 peak   861 spectrum    4 weight  0.10000E+01 volume  0.13711E-02 ppm1      8.099 ppm2      6.874 CV     1
  ASSI {  862}
    (( segid "    " and resid 74   and name HN  ))
    (( segid "    " and resid 72   and name HN  ))
       4.300     2.300     1.700 peak   862 spectrum    4 weight  0.10000E+01 volume  0.54671E-03 ppm1      6.618 ppm2      8.381 CV     1
  ASSI {  863}
    (( segid "    " and resid 79   and name HA  ))
    (( segid "    " and resid 49   and name HN  ))
       3.000     3.000     3.000 peak   863 spectrum    4 weight  0.10000E+01 volume  0.52809E-02 ppm1      4.439 ppm2      7.983 CV     1
  ASSI {  864}
    (( segid "    " and resid 79   and name HA  ))
    (( segid "    " and resid 77   and name HN  ))
       3.100     3.100     2.900 peak   864 spectrum    4 weight  0.10000E+01 volume  0.21028E-02 ppm1      4.431 ppm2      7.364 CV     1
  ASSI {  865}
    (( segid "    " and resid 79   and name HN  ))
    (( segid "    " and resid 49   and name HN  ))
       2.900     1.100     1.100 peak   865 spectrum    4 weight  0.10000E+01 volume  0.20207E-02 ppm1      8.299 ppm2      7.982 CV     1
  ASSI {  866}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 84   and name HN  ))
       3.300     1.300     1.300 peak   866 spectrum    4 weight  0.10000E+01 volume  0.13071E-02 ppm1      3.914 ppm2      8.758 CV     1
  ASSI {  867}
    (( segid "    " and resid 81   and name HA  ))
    (( segid "    " and resid 85   and name HN  ))
       3.800     1.800     1.800 peak   867 spectrum    4 weight  0.10000E+01 volume  0.11629E-02 ppm1      3.905 ppm2      8.932 CV     1
  ASSI {  868}
    (( segid "    " and resid 82   and name HA  ))
    (( segid "    " and resid 84   and name HN  ))
       4.000     2.000     2.000 peak   868 spectrum    4 weight  0.10000E+01 volume  0.58136E-03 ppm1      4.304 ppm2      8.760 CV     1
  ASSI {  869}
    (( segid "    " and resid 82   and name HA  ))
    (( segid "    " and resid 85   and name HN  ))
       3.000     1.100     1.100 peak   869 spectrum    4 weight  0.10000E+01 volume  0.28615E-02 ppm1      4.301 ppm2      8.932 CV     1
  ASSI {  870}
    (( segid "    " and resid 93   and name HA  ))
    (( segid "    " and resid 95   and name HN  ))
       3.900     1.900     1.900 peak   870 spectrum    4 weight  0.10000E+01 volume  0.16136E-02 ppm1      4.507 ppm2      8.475 CV     1
  ASSI {  871}
    (( segid "    " and resid 94   and name HN  ))
    (( segid "    " and resid 96   and name HN  ))
       4.000     2.000     2.000 peak   871 spectrum    4 weight  0.10000E+01 volume  0.81648E-03 ppm1      9.046 ppm2      8.209 CV     1
  ASSI {  872}
    (( segid "    " and resid 95   and name HN  ))
    (( segid "    " and resid 93   and name HN  ))
       4.700     2.800     1.300 peak   872 spectrum    4 weight  0.10000E+01 volume  0.67643E-03 ppm1      8.471 ppm2      9.145 CV     1
  ASSI {  873}
    (( segid "    " and resid 96   and name HA  ))
    (( segid "    " and resid 94   and name HN  ))
       4.500     2.500     1.500 peak   873 spectrum    4 weight  0.10000E+01 volume  0.85431E-03 ppm1      3.789 ppm2      9.031 CV     1
  ASSI {  875}
    (( segid "    " and resid 97   and name HA  ))
    (( segid "    " and resid 100  and name HN  ))
       3.300     1.400     1.400 peak   875 spectrum    4 weight  0.10000E+01 volume  0.20154E-02 ppm1      3.952 ppm2      6.818 CV     1
  ASSI {  876}
    (( segid "    " and resid 97   and name HN  ))
    (( segid "    " and resid 95   and name HN  ))
       4.100     2.100     1.900 peak   876 spectrum    4 weight  0.10000E+01 volume  0.64547E-03 ppm1      7.177 ppm2      8.478 CV     1
!!! ajout?es apr?s analyse des structures calcul?es
  ASSI {  637}
    (( segid "    " and resid 64   and name HAC ))
    (  segid "    " and resid 70   and name HG2%)
       4.000     2.000     2.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.48365E-03 ppm1      2.855 ppm2      1.474 CV     1
  ASSI {  993}
    (( segid "    " and resid 62   and name HA  ))
    (( segid "    " and resid 62   and name HG3 ))
       3.100     1.200     1.200 peak   993 spectrum    1 weight  0.10000E+01 volume  0.18317E-02 ppm1      4.867 ppm2      2.575 CV     1
  ASSI { 1151}
    (  segid "    " and resid 60   and name HD% )
    (( segid "    " and resid 64   and name HB2 ))
       3.000     1.200     1.200 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.11644E-02 ppm1      7.536 ppm2      2.409 CV     1
  ASSI {   35}
    (( segid "    " and resid 105  and name HB2 ))
    (  segid "    " and resid 33   and name HG2%)
       2.700     2.700     3.300 peak    35 spectrum    3 weight  0.10000E+01 volume  0.57398E-02 ppm1      2.875 ppm2      1.187 CV     1
  ASSI {  531}
    (( segid "    " and resid 40   and name HB2 ))
    (( segid "    " and resid 37   and name HA  ))
       3.000     1.100     1.100 peak   531 spectrum    1 weight  0.10000E+01 volume  0.11693E-02 ppm1      2.283 ppm2      3.625 CV     1
  ASSI { 1109}
    (  segid "    " and resid 32   and name HD% )
    (( segid "    " and resid 36   and name HG3 ))
       2.900     1.100     1.100 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.16456E-02 ppm1      6.853 ppm2      2.291 CV     1
  ASSI {  842}
    (( segid "    " and resid 109  and name HA  ))
    (( segid "    " and resid 109  and name HD3 ))
       2.800     0.900     0.900 peak   842 spectrum    1 weight  0.10000E+01 volume  0.28352E-02 ppm1      4.070 ppm2      2.919 CV     1
  ASSI {  443}
    (( segid "    " and resid 80   and name HB  ))
    (( segid "    " and resid 82   and name HD22))
       3.100     3.100     2.900 peak   443 spectrum    4 weight  0.10000E+01 volume  0.45037E-03 ppm1      2.858 ppm2      7.415 CV     1




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HA   MET  21           HA       MET  21  10.556  -8.937   7.750
    2    H1   MET  21           1H       MET  21  12.554  -6.987   6.845
    3    HB2  MET  21           HB2      MET  21   9.883  -7.050   6.247
    4    HB3  MET  21           HB3      MET  21  10.930  -7.713   5.010
    5    HG2  MET  21           HG2      MET  21   8.708  -8.365   4.506
    6    HG3  MET  21           HG3      MET  21   9.580  -9.794   5.053
    7    HE1  MET  21           HE3      MET  21   6.907  -7.095   5.894
    8    HE2  MET  21           HE1      MET  21   6.427  -7.516   7.537
    9    HE3  MET  21           HE2      MET  21   8.030  -6.848   7.231
   10    H    ALA  22           HN       ALA  22  13.460  -9.415   7.630
   11    HA   ALA  22           HA       ALA  22  14.938 -11.041   7.096
   12    HB1  ALA  22           HB3      ALA  22  14.100 -13.239   6.584
   13    HB2  ALA  22           HB1      ALA  22  13.067 -12.494   7.805
   14    HB3  ALA  22           HB2      ALA  22  12.529 -12.577   6.127
   15    H    GLU  23           HN       GLU  23  15.542 -12.641   5.210
   16    HA   GLU  23           HA       GLU  23  16.233 -12.970   3.097
   17    HB2  GLU  23           HB2      GLU  23  13.597 -11.830   2.734
   18    HB3  GLU  23           HB3      GLU  23  14.665 -11.370   1.419
   19    HG2  GLU  23           HG2      GLU  23  14.336 -14.214   2.331
   20    HG3  GLU  23           HG3      GLU  23  13.318 -13.475   1.095
   21    H    GLN  24           HN       GLN  24  16.984 -11.757   1.052
   22    HA   GLN  24           HA       GLN  24  18.979  -9.941   1.715
   23    HB2  GLN  24           HB2      GLN  24  17.570 -10.426  -0.920
   24    HB3  GLN  24           HB3      GLN  24  19.032  -9.462  -0.756
   25    HG2  GLN  24           HG2      GLN  24  20.335 -11.307  -0.190
   26    HG3  GLN  24           HG3      GLN  24  18.930 -12.291   0.227
   27   HE21  GLN  24          HE21      GLN  24  17.436 -11.553  -2.126
   28   HE22  GLN  24          HE22      GLN  24  18.174 -12.356  -3.467
   29    H    SER  25           HN       SER  25  15.970  -9.219  -0.010
   30    HA   SER  25           HA       SER  25  15.753  -6.696   1.418
   31    HG   SER  25           HG       SER  25  15.017  -6.796  -2.407
   32    HB2  SER  25           HB2      SER  25  15.224  -5.519  -0.749
   33    HB3  SER  25           HB3      SER  25  16.911  -6.010  -0.588
   34    H    ASP  26           HN       ASP  26  14.286  -8.435  -1.290
   35    HA   ASP  26           HA       ASP  26  11.822  -8.755   0.194
   36    HB2  ASP  26           HB2      ASP  26  10.435  -7.692  -1.517
   37    HB3  ASP  26           HB3      ASP  26  11.570  -6.534  -0.832
   38    H    GLU  27           HN       GLU  27  10.164  -9.696  -1.567
   39    HA   GLU  27           HA       GLU  27  11.433 -11.583  -3.352
   40    HB2  GLU  27           HB2      GLU  27  11.553 -12.803  -1.242
   41    HB3  GLU  27           HB3      GLU  27   9.863 -12.455  -0.910
   42    HG2  GLU  27           HG2      GLU  27   9.693 -13.719  -3.317
   43    HG3  GLU  27           HG3      GLU  27  11.066 -14.538  -2.567
   44    H    ALA  28           HN       ALA  28   8.386 -11.421  -1.596
   45    HA   ALA  28           HA       ALA  28   7.007 -10.833  -4.133
   46    HB1  ALA  28           HB3      ALA  28   5.039 -11.973  -3.143
   47    HB2  ALA  28           HB1      ALA  28   6.427 -13.042  -3.340
   48    HB3  ALA  28           HB2      ALA  28   6.026 -12.405  -1.747
   49    H    VAL  29           HN       VAL  29   4.536 -10.225  -3.055
   50    HA   VAL  29           HA       VAL  29   4.694  -7.522  -2.533
   51    HB   VAL  29           HB       VAL  29   2.635  -8.553  -3.303
   52   HG11  VAL  29          HG11      VAL  29   1.228  -9.860  -1.765
   53   HG12  VAL  29          HG12      VAL  29   2.753 -10.652  -2.154
   54   HG13  VAL  29          HG13      VAL  29   2.549  -9.850  -0.599
   55   HG21  VAL  29          HG23      VAL  29   2.413  -6.421  -2.176
   56   HG22  VAL  29          HG21      VAL  29   1.019  -7.448  -1.824
   57   HG23  VAL  29          HG22      VAL  29   2.289  -7.240  -0.618
   58    H    LYS  30           HN       LYS  30   5.109  -6.305  -0.779
   59    HA   LYS  30           HA       LYS  30   5.257  -7.552   1.836
   60    HB2  LYS  30           HB2      LYS  30   5.585  -4.635   1.109
   61    HB3  LYS  30           HB3      LYS  30   5.948  -5.361   2.665
   62    HG2  LYS  30           HG2      LYS  30   7.362  -5.926   0.070
   63    HG3  LYS  30           HG3      LYS  30   7.967  -4.932   1.396
   64    HD2  LYS  30           HD2      LYS  30   7.847  -6.949   2.864
   65    HD3  LYS  30           HD3      LYS  30   7.433  -7.902   1.436
   66    HE2  LYS  30           HE2      LYS  30   9.546  -7.115   0.379
   67    HE3  LYS  30           HE3      LYS  30   9.964  -6.335   1.904
   68    HZ1  LYS  30           HZ3      LYS  30  11.043  -8.447   1.791
   69    HZ2  LYS  30           HZ1      LYS  30   9.588  -9.242   1.439
   70    HZ3  LYS  30           HZ2      LYS  30   9.824  -8.547   2.961
   71    H    TYR  31           HN       TYR  31   3.582  -7.634   3.201
   72    HA   TYR  31           HA       TYR  31   1.236  -5.972   2.632
   73    HD1  TYR  31           HD2      TYR  31  -0.697  -7.658   1.750
   74    HD2  TYR  31           HD1      TYR  31   2.134 -10.163   3.699
   75    HE1  TYR  31           HE2      TYR  31  -1.158  -9.437   0.117
   76    HE2  TYR  31           HE1      TYR  31   1.679 -11.950   2.075
   77    HH   TYR  31           HH       TYR  31   0.017 -11.449  -0.798
   78    HB2  TYR  31           HB2      TYR  31   1.534  -8.167   4.690
   79    HB3  TYR  31           HB3      TYR  31   0.048  -7.354   4.228
   80    H    TYR  32           HN       TYR  32   0.190  -4.903   4.491
   81    HA   TYR  32           HA       TYR  32   1.902  -4.622   6.845
   82    HD1  TYR  32           HD1      TYR  32   3.356  -2.361   7.707
   83    HD2  TYR  32           HD2      TYR  32   2.110  -2.160   3.647
   84    HE1  TYR  32           HE1      TYR  32   5.628  -1.688   7.050
   85    HE2  TYR  32           HE2      TYR  32   4.378  -1.486   2.976
   86    HH   TYR  32           HH       TYR  32   6.373  -0.422   4.020
   87    HB2  TYR  32           HB2      TYR  32   0.496  -2.400   5.367
   88    HB3  TYR  32           HB3      TYR  32   0.944  -2.242   7.061
   89    H    THR  33           HN       THR  33   0.828  -4.824   8.776
   90    HA   THR  33           HA       THR  33  -1.641  -6.175   8.696
   91    HB   THR  33           HB       THR  33  -1.469  -5.518  11.274
   92    HG1  THR  33           HG1      THR  33   0.488  -4.843  11.822
   93   HG21  THR  33          HG23      THR  33   0.234  -7.559   9.860
   94   HG22  THR  33          HG21      THR  33  -1.429  -7.784  10.401
   95   HG23  THR  33          HG22      THR  33  -0.138  -7.564  11.584
   96    H    LEU  34           HN       LEU  34  -3.697  -5.596   9.168
   97    HA   LEU  34           HA       LEU  34  -4.555  -2.971   8.619
   98    HG   LEU  34           HG       LEU  34  -7.193  -3.036  10.329
   99    HB2  LEU  34           HB2      LEU  34  -5.977  -4.984   8.349
  100    HB3  LEU  34           HB3      LEU  34  -5.992  -5.188  10.096
  101   HD11  LEU  34          HD11      LEU  34  -6.423  -1.892   8.347
  102   HD12  LEU  34          HD12      LEU  34  -7.218  -3.080   7.313
  103   HD13  LEU  34          HD13      LEU  34  -8.184  -2.005   8.326
  104   HD21  LEU  34          HD23      LEU  34  -8.410  -5.164  10.193
  105   HD22  LEU  34          HD21      LEU  34  -9.333  -3.828   9.508
  106   HD23  LEU  34          HD22      LEU  34  -8.526  -4.981   8.442
  107    H    GLU  35           HN       GLU  35  -3.623  -4.583  11.496
  108    HA   GLU  35           HA       GLU  35  -4.889  -2.866  13.396
  109    HB2  GLU  35           HB2      GLU  35  -4.523  -5.180  13.943
  110    HB3  GLU  35           HB3      GLU  35  -2.817  -5.066  13.543
  111    HG2  GLU  35           HG2      GLU  35  -3.906  -3.396  15.751
  112    HG3  GLU  35           HG3      GLU  35  -3.630  -5.115  16.021
  113    H    GLU  36           HN       GLU  36  -2.241  -2.700  11.432
  114    HA   GLU  36           HA       GLU  36  -0.527  -1.174  13.232
  115    HB2  GLU  36           HB2      GLU  36   0.777  -2.822  12.321
  116    HB3  GLU  36           HB3      GLU  36  -0.200  -2.926  10.865
  117    HG2  GLU  36           HG2      GLU  36   1.914  -2.160  10.208
  118    HG3  GLU  36           HG3      GLU  36   0.830  -0.777  10.151
  119    H    ILE  37           HN       ILE  37  -1.823  -1.066   9.936
  120    HA   ILE  37           HA       ILE  37  -0.939   1.514   9.285
  121    HB   ILE  37           HB       ILE  37  -3.428   0.159   8.239
  122   HG12  ILE  37          HG12      ILE  37  -0.590  -0.017   7.207
  123   HG13  ILE  37          HG13      ILE  37  -1.407  -1.291   8.112
  124   HG21  ILE  37          HG21      ILE  37  -3.036   1.494   6.236
  125   HG22  ILE  37          HG22      ILE  37  -3.225   2.530   7.651
  126   HG23  ILE  37          HG23      ILE  37  -1.618   2.224   6.993
  127   HD11  ILE  37          HD13      ILE  37  -3.039  -1.516   6.329
  128   HD12  ILE  37          HD11      ILE  37  -2.262  -0.215   5.433
  129   HD13  ILE  37          HD12      ILE  37  -1.402  -1.727   5.716
  130    H    GLN  38           HN       GLN  38  -3.663   0.376  11.115
  131    HA   GLN  38           HA       GLN  38  -5.220   2.690  11.279
  132    HB2  GLN  38           HB2      GLN  38  -4.705   0.456  13.231
  133    HB3  GLN  38           HB3      GLN  38  -5.825   1.760  13.584
  134    HG2  GLN  38           HG2      GLN  38  -6.052   0.008  11.154
  135    HG3  GLN  38           HG3      GLN  38  -6.804  -0.384  12.693
  136   HE21  GLN  38          HE21      GLN  38  -6.558   2.885  11.368
  137   HE22  GLN  38          HE22      GLN  38  -8.254   3.094  11.123
  138    H    LYS  39           HN       LYS  39  -2.192   1.845  12.773
  139    HA   LYS  39           HA       LYS  39  -2.394   3.864  14.842
  140    HB2  LYS  39           HB2      LYS  39  -0.171   1.945  14.125
  141    HB3  LYS  39           HB3      LYS  39  -0.182   2.989  15.534
  142    HG2  LYS  39           HG2      LYS  39  -2.329   1.812  16.209
  143    HG3  LYS  39           HG3      LYS  39  -1.943   0.636  14.950
  144    HD2  LYS  39           HD2      LYS  39  -0.067   1.359  17.191
  145    HD3  LYS  39           HD3      LYS  39  -1.177  -0.012  17.239
  146    HE2  LYS  39           HE2      LYS  39   0.717   0.320  14.959
  147    HE3  LYS  39           HE3      LYS  39   1.279  -0.378  16.475
  148    HZ1  LYS  39           HZ3      LYS  39  -0.414  -2.091  16.277
  149    HZ2  LYS  39           HZ1      LYS  39   0.569  -2.071  14.894
  150    HZ3  LYS  39           HZ2      LYS  39  -0.986  -1.398  14.844
  151    H    HIS  40           HN       HIS  40  -1.778   3.992  11.690
  152    HA   HIS  40           HA       HIS  40   0.303   6.069  11.921
  153    HD1  HIS  40           HD1      HIS  40   2.033   2.417   9.830
  154    HD2  HIS  40           HD2      HIS  40   2.434   5.735  12.282
  155    HE1  HIS  40           HE1      HIS  40   4.210   2.100  11.034
  156    HE2  HIS  40           HE2      HIS  40   4.544   4.231  12.335
  157    HB2  HIS  40           HB2      HIS  40  -0.070   3.845   9.957
  158    HB3  HIS  40           HB3      HIS  40   0.698   5.336   9.423
  159    H    ASN  41           HN       ASN  41  -2.398   6.579  12.214
  160    HA   ASN  41           HA       ASN  41  -3.322   7.680   9.654
  161    HB2  ASN  41           HB2      ASN  41  -5.496   7.686  10.605
  162    HB3  ASN  41           HB3      ASN  41  -4.761   6.178  11.137
  163   HD21  ASN  41          HD21      ASN  41  -6.297   9.017  12.089
  164   HD22  ASN  41          HD22      ASN  41  -6.078   8.858  13.797
  165    H    HIS  42           HN       HIS  42  -1.199   8.861  11.504
  166    HA   HIS  42           HA       HIS  42  -2.516  11.411  12.103
  167    HD1  HIS  42           HD1      HIS  42   1.018   9.932  12.992
  168    HD2  HIS  42           HD2      HIS  42  -1.548   8.316  15.835
  169    HE1  HIS  42           HE1      HIS  42   2.320   8.093  14.107
  170    HE2  HIS  42           HE2      HIS  42   0.758   7.134  15.845
  171    HB2  HIS  42           HB2      HIS  42  -1.365  11.468  14.319
  172    HB3  HIS  42           HB3      HIS  42  -2.588  10.212  14.186
  173    H    SER  43           HN       SER  43  -0.829  13.053  12.908
  174    HA   SER  43           HA       SER  43   0.613  13.971  10.842
  175    HG   SER  43           HG       SER  43  -0.081  16.272  12.799
  176    HB2  SER  43           HB2      SER  43   1.448  14.285  13.729
  177    HB3  SER  43           HB3      SER  43   1.782  15.407  12.410
  178    H    LYS  44           HN       LYS  44   2.157  12.219  13.523
  179    HA   LYS  44           HA       LYS  44   4.788  12.486  12.721
  180    HB2  LYS  44           HB2      LYS  44   3.382  11.170  14.784
  181    HB3  LYS  44           HB3      LYS  44   4.456   9.977  14.073
  182    HG2  LYS  44           HG2      LYS  44   5.252  12.649  15.213
  183    HG3  LYS  44           HG3      LYS  44   5.544  11.061  15.927
  184    HD2  LYS  44           HD2      LYS  44   6.908  10.488  13.923
  185    HD3  LYS  44           HD3      LYS  44   6.707  12.147  13.365
  186    HE2  LYS  44           HE2      LYS  44   8.023  11.280  15.937
  187    HE3  LYS  44           HE3      LYS  44   8.850  11.853  14.489
  188    HZ1  LYS  44           HZ3      LYS  44   7.690  13.989  14.761
  189    HZ2  LYS  44           HZ1      LYS  44   8.682  13.620  16.085
  190    HZ3  LYS  44           HZ2      LYS  44   7.004  13.429  16.209
  191    H    SER  45           HN       SER  45   2.439  10.357  11.451
  192    HA   SER  45           HA       SER  45   4.056   9.573   9.302
  193    HG   SER  45           HG       SER  45   4.312   7.431   8.612
  194    HB2  SER  45           HB2      SER  45   5.031   8.005  10.977
  195    HB3  SER  45           HB3      SER  45   3.426   7.336  11.249
  196    H    THR  46           HN       THR  46   2.579   9.618   7.737
  197    HA   THR  46           HA       THR  46  -0.179   8.897   8.481
  198    HB   THR  46           HB       THR  46   0.688  10.757   6.260
  199    HG1  THR  46           HG1      THR  46   1.026  11.362   8.637
  200   HG21  THR  46          HG23      THR  46  -1.619  11.416   6.169
  201   HG22  THR  46          HG21      THR  46  -2.015  10.404   7.557
  202   HG23  THR  46          HG22      THR  46  -1.545   9.661   6.026
  203    H    TRP  47           HN       TRP  47  -0.658   6.945   7.747
  204    HA   TRP  47           HA       TRP  47   0.057   6.333   4.959
  205    HD1  TRP  47           HD1      TRP  47   2.150   6.259   5.763
  206    HE1  TRP  47           HE1      TRP  47   4.374   5.112   6.348
  207    HE3  TRP  47           HE3      TRP  47   0.322   1.790   7.418
  208    HZ2  TRP  47           HZ2      TRP  47   5.238   2.617   7.387
  209    HZ3  TRP  47           HZ3      TRP  47   1.906   0.073   8.187
  210    HH2  TRP  47           HH2      TRP  47   4.315   0.480   8.169
  211    HB2  TRP  47           HB2      TRP  47  -0.678   4.464   7.221
  212    HB3  TRP  47           HB3      TRP  47  -0.566   3.956   5.544
  213    H    LEU  48           HN       LEU  48  -1.710   5.138   3.765
  214    HA   LEU  48           HA       LEU  48  -4.338   5.337   4.930
  215    HG   LEU  48           HG       LEU  48  -3.638   6.086   1.329
  216    HB2  LEU  48           HB2      LEU  48  -5.376   6.585   3.138
  217    HB3  LEU  48           HB3      LEU  48  -4.141   7.550   3.913
  218   HD11  LEU  48          HD11      LEU  48  -5.532   7.599   1.021
  219   HD12  LEU  48          HD12      LEU  48  -4.591   8.922   1.714
  220   HD13  LEU  48          HD13      LEU  48  -4.095   8.190   0.186
  221   HD21  LEU  48          HD23      LEU  48  -2.299   8.421   2.692
  222   HD22  LEU  48          HD21      LEU  48  -1.647   6.790   2.516
  223   HD23  LEU  48          HD22      LEU  48  -1.884   7.802   1.091
  224    H    ILE  49           HN       ILE  49  -5.988   4.230   3.665
  225    HA   ILE  49           HA       ILE  49  -4.871   2.385   1.648
  226    HB   ILE  49           HB       ILE  49  -7.084   1.692   3.583
  227   HG12  ILE  49          HG12      ILE  49  -4.190   0.833   3.735
  228   HG13  ILE  49          HG13      ILE  49  -4.893   2.108   4.723
  229   HG21  ILE  49          HG21      ILE  49  -5.433   0.012   1.695
  230   HG22  ILE  49          HG22      ILE  49  -6.609  -0.618   2.846
  231   HG23  ILE  49          HG23      ILE  49  -7.140   0.419   1.524
  232   HD11  ILE  49          HD13      ILE  49  -4.748   0.036   5.959
  233   HD12  ILE  49          HD11      ILE  49  -6.434   0.493   5.707
  234   HD13  ILE  49          HD12      ILE  49  -5.712  -0.786   4.730
  235    H    LEU  50           HN       LEU  50  -5.770   2.911  -0.267
  236    HA   LEU  50           HA       LEU  50  -8.235   4.362  -0.364
  237    HG   LEU  50           HG       LEU  50  -5.597   5.302  -1.539
  238    HB2  LEU  50           HB2      LEU  50  -6.468   3.251  -2.519
  239    HB3  LEU  50           HB3      LEU  50  -7.991   4.039  -2.871
  240   HD11  LEU  50          HD11      LEU  50  -5.302   4.962  -3.913
  241   HD12  LEU  50          HD12      LEU  50  -6.877   5.689  -4.240
  242   HD13  LEU  50          HD13      LEU  50  -5.568   6.675  -3.585
  243   HD21  LEU  50          HD23      LEU  50  -6.900   7.389  -1.673
  244   HD22  LEU  50          HD21      LEU  50  -8.297   6.467  -2.219
  245   HD23  LEU  50          HD22      LEU  50  -7.651   6.209  -0.600
  246    H    HIS  51           HN       HIS  51  -7.286   1.077  -0.811
  247    HA   HIS  51           HA       HIS  51  -9.984   0.137  -0.770
  248    HD1  HIS  51           HD1      HIS  51 -12.127  -0.699  -2.681
  249    HD2  HIS  51           HD2      HIS  51  -9.900   2.474  -4.209
  250    HE1  HIS  51           HE1      HIS  51 -13.799   0.891  -3.684
  251    HE2  HIS  51           HE2      HIS  51 -12.439   2.810  -4.599
  252    HB2  HIS  51           HB2      HIS  51  -8.518   0.245  -3.376
  253    HB3  HIS  51           HB3      HIS  51  -9.506  -1.167  -3.037
  254    H    HIS  52           HN       HIS  52  -6.613  -0.547  -1.502
  255    HA   HIS  52           HA       HIS  52  -6.770  -3.077  -0.080
  256    HD1  HIS  52           HD1      HIS  52  -8.015  -5.357  -3.367
  257    HD2  HIS  52           HD2      HIS  52  -5.384  -5.375  -0.157
  258    HE1  HIS  52           HE1      HIS  52  -8.154  -7.668  -2.397
  259    HE2  HIS  52           HE2      HIS  52  -6.855  -7.491  -0.249
  260    HB2  HIS  52           HB2      HIS  52  -7.206  -3.080  -2.780
  261    HB3  HIS  52           HB3      HIS  52  -5.465  -3.337  -2.708
  262    H    LYS  53           HN       LYS  53  -4.806  -0.973  -2.127
  263    HA   LYS  53           HA       LYS  53  -2.337  -1.806  -0.905
  264    HB2  LYS  53           HB2      LYS  53  -3.007   0.379  -2.889
  265    HB3  LYS  53           HB3      LYS  53  -1.375   0.034  -2.331
  266    HG2  LYS  53           HG2      LYS  53  -1.373  -2.082  -3.370
  267    HG3  LYS  53           HG3      LYS  53  -3.113  -2.032  -3.647
  268    HD2  LYS  53           HD2      LYS  53  -2.879  -0.348  -5.306
  269    HD3  LYS  53           HD3      LYS  53  -1.190  -0.061  -4.876
  270    HE2  LYS  53           HE2      LYS  53  -1.530  -1.389  -6.972
  271    HE3  LYS  53           HE3      LYS  53  -0.536  -2.179  -5.752
  272    HZ1  LYS  53           HZ3      LYS  53  -2.228  -3.631  -6.831
  273    HZ2  LYS  53           HZ1      LYS  53  -3.433  -2.705  -6.077
  274    HZ3  LYS  53           HZ2      LYS  53  -2.324  -3.577  -5.134
  275    H    VAL  54           HN       VAL  54  -1.069  -0.620   0.470
  276    HA   VAL  54           HA       VAL  54  -2.347   1.619   1.886
  277    HB   VAL  54           HB       VAL  54  -1.527  -0.179   3.307
  278   HG11  VAL  54          HG11      VAL  54   1.173   0.330   2.077
  279   HG12  VAL  54          HG12      VAL  54   0.857  -0.725   3.452
  280   HG13  VAL  54          HG13      VAL  54   0.179  -1.111   1.872
  281   HG21  VAL  54          HG23      VAL  54   0.126   2.337   3.477
  282   HG22  VAL  54          HG21      VAL  54  -1.398   1.988   4.296
  283   HG23  VAL  54          HG22      VAL  54   0.063   1.107   4.743
  284    H    TYR  55           HN       TYR  55  -1.462   3.642   1.876
  285    HA   TYR  55           HA       TYR  55   0.931   4.067   0.196
  286    HD1  TYR  55           HD2      TYR  55  -2.517   3.528  -0.196
  287    HD2  TYR  55           HD1      TYR  55  -0.329   6.214  -2.666
  288    HE1  TYR  55           HE2      TYR  55  -3.662   2.633  -2.176
  289    HE2  TYR  55           HE1      TYR  55  -1.479   5.328  -4.652
  290    HH   TYR  55           HH       TYR  55  -2.696   3.486  -5.400
  291    HB2  TYR  55           HB2      TYR  55  -1.420   5.949   0.558
  292    HB3  TYR  55           HB3      TYR  55   0.016   6.287  -0.393
  293    H    ASP  56           HN       ASP  56   2.038   6.198   0.755
  294    HA   ASP  56           HA       ASP  56   1.721   6.866   3.613
  295    HB2  ASP  56           HB2      ASP  56   3.821   5.622   3.332
  296    HB3  ASP  56           HB3      ASP  56   4.320   6.719   2.051
  297    H    LEU  57           HN       LEU  57   1.622   9.087   4.064
  298    HA   LEU  57           HA       LEU  57   2.461  10.887   1.874
  299    HG   LEU  57           HG       LEU  57  -0.462   9.582   2.146
  300    HB2  LEU  57           HB2      LEU  57   0.128  11.543   3.656
  301    HB3  LEU  57           HB3      LEU  57   0.650  12.375   2.220
  302   HD11  LEU  57          HD11      LEU  57  -2.136  11.149   3.069
  303   HD12  LEU  57          HD12      LEU  57  -1.931  12.169   1.645
  304   HD13  LEU  57          HD13      LEU  57  -2.580  10.537   1.474
  305   HD21  LEU  57          HD23      LEU  57   0.908  10.278   0.233
  306   HD22  LEU  57          HD21      LEU  57  -0.787  10.062  -0.210
  307   HD23  LEU  57          HD22      LEU  57  -0.134  11.684   0.014
  308    H    THR  58           HN       THR  58   3.716   9.934   4.444
  309    HA   THR  58           HA       THR  58   3.319  11.639   6.591
  310    HB   THR  58           HB       THR  58   5.913  10.286   5.865
  311    HG1  THR  58           HG1      THR  58   4.533   8.619   6.058
  312   HG21  THR  58          HG23      THR  58   4.849  11.202   8.542
  313   HG22  THR  58          HG21      THR  58   6.177  11.948   7.653
  314   HG23  THR  58          HG22      THR  58   6.345  10.308   8.279
  315    H    LYS  59           HN       LYS  59   5.611  12.071   3.907
  316    HA   LYS  59           HA       LYS  59   6.154  14.777   4.897
  317    HB2  LYS  59           HB2      LYS  59   7.633  12.844   3.335
  318    HB3  LYS  59           HB3      LYS  59   7.581  14.401   2.516
  319    HG2  LYS  59           HG2      LYS  59   8.548  13.892   5.337
  320    HG3  LYS  59           HG3      LYS  59   9.558  14.208   3.923
  321    HD2  LYS  59           HD2      LYS  59   7.505  16.137   5.021
  322    HD3  LYS  59           HD3      LYS  59   9.230  16.192   5.390
  323    HE2  LYS  59           HE2      LYS  59   9.749  16.517   3.043
  324    HE3  LYS  59           HE3      LYS  59   8.046  16.382   2.626
  325    HZ1  LYS  59           HZ3      LYS  59   9.208  18.505   4.343
  326    HZ2  LYS  59           HZ1      LYS  59   7.591  18.399   3.842
  327    HZ3  LYS  59           HZ2      LYS  59   8.821  18.686   2.705
  328    H    PHE  60           HN       PHE  60   4.140  13.159   2.736
  329    HA   PHE  60           HA       PHE  60   4.209  14.958   0.541
  330    HD1  PHE  60           HD2      PHE  60   4.752  13.350  -1.624
  331    HD2  PHE  60           HD1      PHE  60   3.946  10.962   1.796
  332    HE1  PHE  60           HE2      PHE  60   6.625  11.861  -2.236
  333    HE2  PHE  60           HE1      PHE  60   5.826   9.463   1.199
  334    HZ   PHE  60           HZ       PHE  60   7.164   9.915  -0.821
  335    HB2  PHE  60           HB2      PHE  60   2.457  12.600   1.194
  336    HB3  PHE  60           HB3      PHE  60   2.551  13.394  -0.357
  337    H    LEU  61           HN       LEU  61   2.852  15.010   3.462
  338    HA   LEU  61           HA       LEU  61   0.165  15.438   3.314
  339    HG   LEU  61           HG       LEU  61   2.029  14.137   5.321
  340    HB2  LEU  61           HB2      LEU  61   2.243  16.602   5.154
  341    HB3  LEU  61           HB3      LEU  61   0.524  16.755   5.447
  342   HD11  LEU  61          HD11      LEU  61   2.740  15.508   7.198
  343   HD12  LEU  61          HD12      LEU  61   1.058  15.766   7.663
  344   HD13  LEU  61          HD13      LEU  61   1.763  14.153   7.759
  345   HD21  LEU  61          HD23      LEU  61  -0.021  13.241   6.352
  346   HD22  LEU  61          HD21      LEU  61  -0.787  14.817   6.162
  347   HD23  LEU  61          HD22      LEU  61  -0.318  13.890   4.737
  348    H    GLU  62           HN       GLU  62   2.781  17.598   2.717
  349    HA   GLU  62           HA       GLU  62   1.143  20.007   2.700
  350    HB2  GLU  62           HB2      GLU  62   3.362  21.136   2.495
  351    HB3  GLU  62           HB3      GLU  62   3.211  20.134   3.927
  352    HG2  GLU  62           HG2      GLU  62   4.382  18.318   2.531
  353    HG3  GLU  62           HG3      GLU  62   4.826  19.642   1.454
  354    H    GLU  63           HN       GLU  63   2.721  17.808   0.574
  355    HA   GLU  63           HA       GLU  63   3.078  19.570  -1.653
  356    HB2  GLU  63           HB2      GLU  63   3.264  16.579  -1.323
  357    HB3  GLU  63           HB3      GLU  63   3.523  17.380  -2.869
  358    HG2  GLU  63           HG2      GLU  63   5.096  17.953  -0.366
  359    HG3  GLU  63           HG3      GLU  63   5.604  16.846  -1.642
  360    H    HIS  64           HN       HIS  64   0.483  17.712  -0.464
  361    HA   HIS  64           HA       HIS  64  -0.756  17.379  -3.033
  362    HD1  HIS  64           HD1      HIS  64  -3.893  16.420   0.056
  363    HD2  HIS  64           HD2      HIS  64  -2.727  14.792  -3.636
  364    HE1  HIS  64           HE1      HIS  64  -5.967  15.338  -0.960
  365    HB2  HIS  64           HB3      HIS  64  -0.760  15.485  -1.614
  366    HB3  HIS  64           HB2      HIS  64  -1.384  16.379  -0.266
  367    HA   PRO  65           HA       PRO  65  -3.119  21.191  -2.856
  368    HB2  PRO  65           HB2      PRO  65  -5.110  19.450  -4.255
  369    HB3  PRO  65           HB3      PRO  65  -4.543  21.070  -4.671
  370    HG2  PRO  65           HG2      PRO  65  -3.644  18.952  -5.986
  371    HG3  PRO  65           HG3      PRO  65  -2.553  20.290  -5.572
  372    HD2  PRO  65           HD2      PRO  65  -2.765  17.580  -4.368
  373    HD3  PRO  65           HD3      PRO  65  -1.346  18.625  -4.559
  374    H    GLY  66           HN       GLY  66  -3.889  21.625  -0.819
  375    HA2  GLY  66           HA1      GLY  66  -5.418  21.731   0.896
  376    HA3  GLY  66           HA2      GLY  66  -6.594  21.101  -0.247
  377    H    GLY  67           HN       GLY  67  -3.722  19.845   1.424
  378    HA2  GLY  67           HA1      GLY  67  -5.322  17.477   2.150
  379    HA3  GLY  67           HA2      GLY  67  -3.582  17.463   1.913
  380    H    GLU  68           HN       GLU  68  -2.532  17.240   3.729
  381    HA   GLU  68           HA       GLU  68  -1.935  17.219   5.904
  382    HB2  GLU  68           HB2      GLU  68  -1.845  19.745   5.083
  383    HB3  GLU  68           HB3      GLU  68  -3.059  19.941   6.339
  384    HG2  GLU  68           HG2      GLU  68  -1.544  19.067   8.002
  385    HG3  GLU  68           HG3      GLU  68  -0.345  18.710   6.760
  386    H    GLU  69           HN       GLU  69  -4.721  19.317   6.367
  387    HA   GLU  69           HA       GLU  69  -5.514  18.125   8.790
  388    HB2  GLU  69           HB2      GLU  69  -7.034  19.932   6.904
  389    HB3  GLU  69           HB3      GLU  69  -7.545  19.532   8.535
  390    HG2  GLU  69           HG2      GLU  69  -4.959  20.915   7.879
  391    HG3  GLU  69           HG3      GLU  69  -6.454  21.750   8.300
  392    H    VAL  70           HN       VAL  70  -6.940  17.977   5.539
  393    HA   VAL  70           HA       VAL  70  -9.136  16.369   6.456
  394    HB   VAL  70           HB       VAL  70  -9.857  16.319   4.120
  395   HG11  VAL  70          HG11      VAL  70  -8.994  19.004   5.166
  396   HG12  VAL  70          HG12      VAL  70 -10.138  18.772   3.846
  397   HG13  VAL  70          HG13      VAL  70 -10.525  18.182   5.461
  398   HG21  VAL  70          HG23      VAL  70  -7.694  16.176   3.014
  399   HG22  VAL  70          HG21      VAL  70  -8.607  17.559   2.406
  400   HG23  VAL  70          HG22      VAL  70  -7.294  17.807   3.555
  401    H    LEU  71           HN       LEU  71  -6.005  15.598   5.664
  402    HA   LEU  71           HA       LEU  71  -6.542  13.110   4.352
  403    HG   LEU  71           HG       LEU  71  -4.608  15.464   3.702
  404    HB2  LEU  71           HB2      LEU  71  -4.033  14.125   5.677
  405    HB3  LEU  71           HB3      LEU  71  -4.140  12.659   4.720
  406   HD11  LEU  71          HD11      LEU  71  -2.547  15.119   2.459
  407   HD12  LEU  71          HD12      LEU  71  -2.266  14.979   4.194
  408   HD13  LEU  71          HD13      LEU  71  -2.356  13.528   3.195
  409   HD21  LEU  71          HD23      LEU  71  -6.009  13.820   2.554
  410   HD22  LEU  71          HD21      LEU  71  -4.738  14.434   1.497
  411   HD23  LEU  71          HD22      LEU  71  -4.586  12.834   2.221
  412    H    ARG  72           HN       ARG  72  -5.785  14.173   7.598
  413    HA   ARG  72           HA       ARG  72  -5.067  11.775   8.784
  414    HE   ARG  72           HE       ARG  72  -6.183  15.586  11.434
  415    HB2  ARG  72           HB2      ARG  72  -6.468  14.104  10.088
  416    HB3  ARG  72           HB3      ARG  72  -5.501  12.887  10.908
  417    HG2  ARG  72           HG2      ARG  72  -3.515  13.654   9.698
  418    HG3  ARG  72           HG3      ARG  72  -4.492  14.879   8.884
  419    HD2  ARG  72           HD2      ARG  72  -3.930  14.670  11.840
  420    HD3  ARG  72           HD3      ARG  72  -3.336  15.902  10.723
  421   HH11  ARG  72          HH12      ARG  72  -3.406  17.544  10.660
  422   HH12  ARG  72          HH11      ARG  72  -4.253  19.059  10.794
  423   HH21  ARG  72          HH22      ARG  72  -7.327  17.574  11.640
  424   HH22  ARG  72          HH21      ARG  72  -6.484  19.074  11.350
  425    H    GLU  73           HN       GLU  73  -8.175  13.031   8.051
  426    HA   GLU  73           HA       GLU  73  -9.720  11.565   9.961
  427    HB2  GLU  73           HB2      GLU  73 -10.360  13.778   9.058
  428    HB3  GLU  73           HB3      GLU  73 -10.518  13.072   7.459
  429    HG2  GLU  73           HG2      GLU  73 -12.690  13.377   8.418
  430    HG3  GLU  73           HG3      GLU  73 -12.346  11.651   8.293
  431    H    GLN  74           HN       GLN  74  -8.514  10.990   6.796
  432    HA   GLN  74           HA       GLN  74 -10.384   8.752   6.338
  433    HB2  GLN  74           HB2      GLN  74  -8.797  10.330   4.298
  434    HB3  GLN  74           HB3      GLN  74 -10.063   9.154   3.968
  435    HG2  GLN  74           HG2      GLN  74 -10.555  11.693   5.493
  436    HG3  GLN  74           HG3      GLN  74 -10.692  11.588   3.738
  437   HE21  GLN  74          HE21      GLN  74 -12.879  12.112   3.822
  438   HE22  GLN  74          HE22      GLN  74 -14.072  10.981   4.349
  439    H    ALA  75           HN       ALA  75  -7.325   9.492   7.261
  440    HA   ALA  75           HA       ALA  75  -5.914   7.537   5.641
  441    HB1  ALA  75           HB3      ALA  75  -3.900   8.359   6.788
  442    HB2  ALA  75           HB1      ALA  75  -4.807   9.656   6.011
  443    HB3  ALA  75           HB2      ALA  75  -4.907   9.435   7.757
  444    H    GLY  76           HN       GLY  76  -4.400   6.045   6.724
  445    HA2  GLY  76           HA1      GLY  76  -3.918   4.385   8.263
  446    HA3  GLY  76           HA2      GLY  76  -5.101   5.101   9.358
  447    H    GLY  77           HN       GLY  77  -7.311   5.087   7.599
  448    HA2  GLY  77           HA1      GLY  77  -7.716   2.185   7.199
  449    HA3  GLY  77           HA2      GLY  77  -8.997   3.292   7.709
  450    H    ASP  78           HN       ASP  78 -10.385   3.032   5.977
  451    HA   ASP  78           HA       ASP  78  -9.393   3.171   3.279
  452    HB2  ASP  78           HB2      ASP  78 -11.359   1.775   3.861
  453    HB3  ASP  78           HB3      ASP  78 -12.261   3.235   4.241
  454    H    ALA  79           HN       ALA  79  -9.418   4.884   1.903
  455    HA   ALA  79           HA       ALA  79 -10.439   7.437   2.986
  456    HB1  ALA  79           HB3      ALA  79  -8.587   8.575   1.913
  457    HB2  ALA  79           HB1      ALA  79  -7.987   7.338   3.020
  458    HB3  ALA  79           HB2      ALA  79  -7.988   7.041   1.282
  459    H    THR  80           HN       THR  80 -11.320   5.254   0.877
  460    HA   THR  80           HA       THR  80 -11.096   6.740  -1.587
  461    HB   THR  80           HB       THR  80 -10.938   4.173  -1.280
  462    HG1  THR  80           HG1      THR  80 -12.588   4.837  -3.449
  463   HG21  THR  80          HG23      THR  80 -13.074   3.016  -1.792
  464   HG22  THR  80          HG21      THR  80 -13.925   4.540  -1.536
  465   HG23  THR  80          HG22      THR  80 -13.063   3.775  -0.199
  466    H    GLU  81           HN       GLU  81 -13.182   7.033   0.934
  467    HA   GLU  81           HA       GLU  81 -15.741   7.225  -0.030
  468    HB2  GLU  81           HB2      GLU  81 -15.248   7.778   2.262
  469    HB3  GLU  81           HB3      GLU  81 -14.242   9.134   1.779
  470    HG2  GLU  81           HG2      GLU  81 -16.174  10.186   2.428
  471    HG3  GLU  81           HG3      GLU  81 -16.401  10.038   0.689
  472    H    ASN  82           HN       ASN  82 -13.420   9.901  -0.063
  473    HA   ASN  82           HA       ASN  82 -14.960  11.582  -1.758
  474    HB2  ASN  82           HB2      ASN  82 -13.370  12.420  -0.075
  475    HB3  ASN  82           HB3      ASN  82 -12.039  11.689  -0.964
  476   HD21  ASN  82          HD21      ASN  82 -11.225  12.731  -2.764
  477   HD22  ASN  82          HD22      ASN  82 -11.689  14.335  -3.205
  478    H    PHE  83           HN       PHE  83 -12.911   8.976  -2.322
  479    HA   PHE  83           HA       PHE  83 -11.772   9.872  -4.829
  480    HD1  PHE  83           HD2      PHE  83 -11.568   6.014  -5.669
  481    HD2  PHE  83           HD1      PHE  83  -8.742   9.035  -4.664
  482    HE1  PHE  83           HE2      PHE  83 -10.131   5.286  -7.528
  483    HE2  PHE  83           HE1      PHE  83  -7.302   8.310  -6.520
  484    HZ   PHE  83           HZ       PHE  83  -7.997   6.435  -7.957
  485    HB2  PHE  83           HB2      PHE  83 -10.514   8.488  -3.156
  486    HB3  PHE  83           HB3      PHE  83 -11.622   7.159  -3.484
  487    H    GLU  84           HN       GLU  84 -14.241   7.690  -3.658
  488    HA   GLU  84           HA       GLU  84 -14.801   6.466  -6.194
  489    HB2  GLU  84           HB2      GLU  84 -16.313   6.506  -3.581
  490    HB3  GLU  84           HB3      GLU  84 -16.818   5.586  -4.990
  491    HG2  GLU  84           HG2      GLU  84 -14.301   5.209  -3.396
  492    HG3  GLU  84           HG3      GLU  84 -15.709   4.150  -3.433
  493    H    ASP  85           HN       ASP  85 -15.980   9.122  -4.344
  494    HA   ASP  85           HA       ASP  85 -18.440   9.472  -5.767
  495    HB2  ASP  85           HB2      ASP  85 -18.174  10.073  -3.388
  496    HB3  ASP  85           HB3      ASP  85 -17.005  11.310  -3.841
  497    H    VAL  86           HN       VAL  86 -15.473  11.396  -5.461
  498    HA   VAL  86           HA       VAL  86 -16.263  13.131  -7.650
  499    HB   VAL  86           HB       VAL  86 -13.751  13.184  -5.973
  500   HG11  VAL  86          HG11      VAL  86 -13.524  15.489  -6.755
  501   HG12  VAL  86          HG12      VAL  86 -13.483  14.343  -8.094
  502   HG13  VAL  86          HG13      VAL  86 -14.942  15.280  -7.779
  503   HG21  VAL  86          HG23      VAL  86 -16.281  14.789  -5.665
  504   HG22  VAL  86          HG21      VAL  86 -15.753  13.484  -4.601
  505   HG23  VAL  86          HG22      VAL  86 -14.813  14.971  -4.708
  506    H    GLY  87           HN       GLY  87 -13.796  10.714  -6.932
  507    HA2  GLY  87           HA1      GLY  87 -12.860   9.214  -8.424
  508    HA3  GLY  87           HA2      GLY  87 -13.590  10.104  -9.742
  509    H    HIS  88           HN       HIS  88 -11.987  12.395  -8.019
  510    HA   HIS  88           HA       HIS  88 -10.137  13.651  -8.476
  511    HD1  HIS  88           HD1      HIS  88  -9.352  10.483  -6.204
  512    HD2  HIS  88           HD2      HIS  88  -7.058  13.814  -7.201
  513    HE1  HIS  88           HE1      HIS  88  -8.112  11.163  -4.087
  514    HB2  HIS  88           HB2      HIS  88  -9.057  10.866  -8.762
  515    HB3  HIS  88           HB3      HIS  88  -8.059  12.220  -9.264
  516    H    SER  89           HN       SER  89  -8.116  12.982 -10.527
  517    HA   SER  89           HA       SER  89  -9.657  12.577 -12.958
  518    HG   SER  89           HG       SER  89  -6.871  15.276 -12.741
  519    HB2  SER  89           HB2      SER  89  -8.301  14.452 -14.061
  520    HB3  SER  89           HB3      SER  89  -9.608  14.943 -12.986
  521    H    THR  90           HN       THR  90  -7.800  12.617 -14.854
  522    HA   THR  90           HA       THR  90  -6.564  10.177 -14.644
  523    HB   THR  90           HB       THR  90  -5.552  12.481 -16.321
  524    HG1  THR  90           HG1      THR  90  -7.483  12.354 -17.175
  525   HG21  THR  90          HG23      THR  90  -5.409   9.491 -16.728
  526   HG22  THR  90          HG21      THR  90  -4.061  10.549 -16.312
  527   HG23  THR  90          HG22      THR  90  -4.856  10.711 -17.879
  528    H    ASP  91           HN       ASP  91  -5.252  13.328 -13.840
  529    HA   ASP  91           HA       ASP  91  -2.554  12.897 -13.688
  530    HB2  ASP  91           HB2      ASP  91  -3.994  14.494 -11.582
  531    HB3  ASP  91           HB3      ASP  91  -2.463  14.848 -12.386
  532    H    ALA  92           HN       ALA  92  -4.960  12.173 -11.204
  533    HA   ALA  92           HA       ALA  92  -3.001  11.608  -9.181
  534    HB1  ALA  92           HB3      ALA  92  -5.100  12.684  -8.624
  535    HB2  ALA  92           HB1      ALA  92  -5.987  11.264  -9.176
  536    HB3  ALA  92           HB2      ALA  92  -4.936  11.152  -7.763
  537    H    ARG  93           HN       ARG  93  -4.545   9.766 -11.597
  538    HA   ARG  93           HA       ARG  93  -4.473   7.219 -10.254
  539    HE   ARG  93           HE       ARG  93  -3.324   6.537 -15.891
  540    HB2  ARG  93           HB2      ARG  93  -5.471   6.411 -12.151
  541    HB3  ARG  93           HB3      ARG  93  -5.772   8.121 -12.460
  542    HG2  ARG  93           HG2      ARG  93  -3.661   8.184 -13.778
  543    HG3  ARG  93           HG3      ARG  93  -3.521   6.448 -13.562
  544    HD2  ARG  93           HD2      ARG  93  -5.732   6.204 -14.695
  545    HD3  ARG  93           HD3      ARG  93  -5.688   7.935 -15.033
  546   HH11  ARG  93          HH12      ARG  93  -6.568   7.518 -16.813
  547   HH12  ARG  93          HH11      ARG  93  -6.250   7.399 -18.515
  548   HH21  ARG  93          HH22      ARG  93  -2.902   6.390 -18.102
  549   HH22  ARG  93          HH21      ARG  93  -4.134   6.801 -19.257
  550    H    GLU  94           HN       GLU  94  -2.232   9.242 -11.792
  551    HA   GLU  94           HA       GLU  94  -0.604   7.027 -12.828
  552    HB2  GLU  94           HB2      GLU  94  -1.660   8.837 -14.340
  553    HB3  GLU  94           HB3      GLU  94  -0.443   9.915 -13.677
  554    HG2  GLU  94           HG2      GLU  94   0.280   9.053 -15.800
  555    HG3  GLU  94           HG3      GLU  94   1.311   8.424 -14.516
  556    H    MET  95           HN       MET  95  -0.676   9.879 -10.900
  557    HA   MET  95           HA       MET  95   2.174  10.077 -10.535
  558    HB2  MET  95           HB2      MET  95   0.748  12.070 -10.617
  559    HB3  MET  95           HB3      MET  95  -0.141  11.508  -9.210
  560    HG2  MET  95           HG2      MET  95   1.875  11.703  -7.854
  561    HG3  MET  95           HG3      MET  95   2.778  12.244  -9.265
  562    HE1  MET  95           HE3      MET  95   2.257  14.490 -10.566
  563    HE2  MET  95           HE1      MET  95   0.544  14.098 -10.689
  564    HE3  MET  95           HE2      MET  95   1.046  15.668 -10.060
  565    H    SER  96           HN       SER  96  -0.481   8.513  -8.989
  566    HA   SER  96           HA       SER  96   0.503   8.737  -6.325
  567    HG   SER  96           HG       SER  96  -2.696   7.492  -8.118
  568    HB2  SER  96           HB2      SER  96  -1.429   7.239  -5.786
  569    HB3  SER  96           HB3      SER  96  -1.855   8.712  -6.658
  570    H    LYS  97           HN       LYS  97   1.417   6.842  -8.819
  571    HA   LYS  97           HA       LYS  97   1.228   4.205  -7.930
  572    HB2  LYS  97           HB2      LYS  97   2.963   5.508 -10.015
  573    HB3  LYS  97           HB3      LYS  97   2.909   3.765  -9.767
  574    HG2  LYS  97           HG2      LYS  97   0.530   3.751 -10.249
  575    HG3  LYS  97           HG3      LYS  97   0.546   5.503 -10.449
  576    HD2  LYS  97           HD2      LYS  97   1.953   5.320 -12.387
  577    HD3  LYS  97           HD3      LYS  97   2.164   3.585 -12.131
  578    HE2  LYS  97           HE2      LYS  97  -0.245   3.260 -12.482
  579    HE3  LYS  97           HE3      LYS  97  -0.433   4.989 -12.764
  580    HZ1  LYS  97           HZ3      LYS  97   0.871   4.844 -14.730
  581    HZ2  LYS  97           HZ1      LYS  97  -0.302   3.623 -14.813
  582    HZ3  LYS  97           HZ2      LYS  97   1.299   3.235 -14.415
  583    H    THR  98           HN       THR  98   3.712   6.588  -7.421
  584    HA   THR  98           HA       THR  98   5.522   4.622  -6.260
  585    HB   THR  98           HB       THR  98   6.555   7.207  -5.872
  586    HG1  THR  98           HG1      THR  98   6.015   8.332  -7.601
  587   HG21  THR  98          HG23      THR  98   8.184   6.508  -7.575
  588   HG22  THR  98          HG21      THR  98   7.130   5.168  -8.028
  589   HG23  THR  98          HG22      THR  98   7.852   5.219  -6.419
  590    H    PHE  99           HN       PHE  99   2.900   6.219  -5.203
  591    HA   PHE  99           HA       PHE  99   3.892   6.908  -2.548
  592    HD1  PHE  99           HD2      PHE  99   2.198   8.545  -5.565
  593    HD2  PHE  99           HD1      PHE  99   2.421   9.358  -1.409
  594    HE1  PHE  99           HE2      PHE  99   2.794  10.881  -6.066
  595    HE2  PHE  99           HE1      PHE  99   3.007  11.698  -1.890
  596    HZ   PHE  99           HZ       PHE  99   3.196  12.464  -4.217
  597    HB2  PHE  99           HB2      PHE  99   1.190   7.060  -3.886
  598    HB3  PHE  99           HB3      PHE  99   1.412   7.386  -2.168
  599    H    ILE 100           HN       ILE 100   2.711   4.291  -4.280
  600    HA   ILE 100           HA       ILE 100   1.285   2.945  -2.205
  601    HB   ILE 100           HB       ILE 100   2.378   1.824  -4.792
  602   HG12  ILE 100          HG12      ILE 100  -0.401   2.878  -4.231
  603   HG13  ILE 100          HG13      ILE 100   0.845   3.780  -5.087
  604   HG21  ILE 100          HG21      ILE 100   0.238   0.809  -2.925
  605   HG22  ILE 100          HG22      ILE 100   0.621   0.118  -4.501
  606   HG23  ILE 100          HG23      ILE 100   1.822   0.085  -3.212
  607   HD11  ILE 100          HD13      ILE 100  -0.755   2.746  -6.612
  608   HD12  ILE 100          HD11      ILE 100   0.877   2.109  -6.842
  609   HD13  ILE 100          HD12      ILE 100  -0.329   1.156  -5.973
  610    H    ILE 101           HN       ILE 101   2.478   2.257  -0.441
  611    HA   ILE 101           HA       ILE 101   5.216   1.384  -0.825
  612    HB   ILE 101           HB       ILE 101   5.171   0.989   1.678
  613   HG12  ILE 101          HG12      ILE 101   2.536   2.459   1.408
  614   HG13  ILE 101          HG13      ILE 101   2.743   0.788   1.935
  615   HG21  ILE 101          HG21      ILE 101   5.356   3.392   2.177
  616   HG22  ILE 101          HG22      ILE 101   6.189   2.943   0.685
  617   HG23  ILE 101          HG23      ILE 101   4.624   3.757   0.610
  618   HD11  ILE 101          HD13      ILE 101   2.355   2.334   3.795
  619   HD12  ILE 101          HD11      ILE 101   3.921   1.534   3.907
  620   HD13  ILE 101          HD12      ILE 101   3.825   3.209   3.362
  621    H    GLY 102           HN       GLY 102   2.086  -0.072  -0.321
  622    HA2  GLY 102           HA1      GLY 102   2.926  -2.546  -1.295
  623    HA3  GLY 102           HA2      GLY 102   3.001  -2.633   0.461
  624    H    GLU 103           HN       GLU 103   1.396  -4.327   0.179
  625    HA   GLU 103           HA       GLU 103  -1.309  -3.327  -0.414
  626    HB2  GLU 103           HB2      GLU 103  -0.285  -6.144  -0.089
  627    HB3  GLU 103           HB3      GLU 103  -1.959  -5.723  -0.402
  628    HG2  GLU 103           HG2      GLU 103   0.162  -4.842  -2.297
  629    HG3  GLU 103           HG3      GLU 103  -0.388  -6.513  -2.314
  630    H    LEU 104           HN       LEU 104  -2.934  -4.764   1.018
  631    HA   LEU 104           HA       LEU 104  -2.223  -4.229   3.789
  632    HG   LEU 104           HG       LEU 104  -4.994  -5.664   4.822
  633    HB2  LEU 104           HB2      LEU 104  -4.346  -3.375   2.958
  634    HB3  LEU 104           HB3      LEU 104  -4.830  -4.988   2.487
  635   HD11  LEU 104          HD11      LEU 104  -3.192  -4.342   5.759
  636   HD12  LEU 104          HD12      LEU 104  -4.088  -2.856   5.447
  637   HD13  LEU 104          HD13      LEU 104  -4.693  -4.022   6.622
  638   HD21  LEU 104          HD23      LEU 104  -6.833  -4.176   5.516
  639   HD22  LEU 104          HD21      LEU 104  -6.375  -3.044   4.243
  640   HD23  LEU 104          HD22      LEU 104  -6.955  -4.656   3.823
  641    H    HIS 105           HN       HIS 105  -2.325  -5.795   5.398
  642    HA   HIS 105           HA       HIS 105  -1.198  -8.277   4.889
  643    HD1  HIS 105           HD1      HIS 105  -2.966  -9.798   8.565
  644    HD2  HIS 105           HD2      HIS 105   0.796  -8.881   7.025
  645    HE1  HIS 105           HE1      HIS 105  -1.399 -11.526   9.506
  646    HE2  HIS 105           HE2      HIS 105   0.894 -10.746   8.818
  647    HB2  HIS 105           HB2      HIS 105  -1.423  -6.905   7.066
  648    HB3  HIS 105           HB3      HIS 105  -2.981  -7.689   7.254
  649    HA   PRO 106           HA       PRO 106  -4.383 -11.261   3.668
  650    HB2  PRO 106           HB2      PRO 106  -3.432 -12.691   6.129
  651    HB3  PRO 106           HB3      PRO 106  -3.748 -13.334   4.511
  652    HG2  PRO 106           HG2      PRO 106  -1.266 -12.869   5.282
  653    HG3  PRO 106           HG3      PRO 106  -1.783 -12.445   3.639
  654    HD2  PRO 106           HD2      PRO 106  -1.273 -10.680   5.983
  655    HD3  PRO 106           HD3      PRO 106  -1.018 -10.370   4.252
  656    H    ASP 107           HN       ASP 107  -4.568  -9.415   6.364
  657    HA   ASP 107           HA       ASP 107  -6.795 -10.412   7.786
  658    HB2  ASP 107           HB2      ASP 107  -6.139  -7.490   7.324
  659    HB3  ASP 107           HB3      ASP 107  -6.964  -8.200   8.707
  660    H    ASP 108           HN       ASP 108  -6.238  -8.789   4.830
  661    HA   ASP 108           HA       ASP 108  -9.116  -8.651   4.262
  662    HB2  ASP 108           HB2      ASP 108  -8.477  -6.410   4.480
  663    HB3  ASP 108           HB3      ASP 108  -6.911  -6.695   3.728
  664    H    ARG 109           HN       ARG 109  -6.037  -9.807   3.308
  665    HA   ARG 109           HA       ARG 109  -6.218  -9.378   0.556
  666    HE   ARG 109           HE       ARG 109  -2.884  -7.762  -1.452
  667    HB2  ARG 109           HB2      ARG 109  -4.169 -10.054   2.116
  668    HB3  ARG 109           HB3      ARG 109  -4.560 -11.657   1.506
  669    HG2  ARG 109           HG2      ARG 109  -2.816 -10.220   0.239
  670    HG3  ARG 109           HG3      ARG 109  -4.052 -11.081  -0.696
  671    HD2  ARG 109           HD2      ARG 109  -5.355  -9.104  -0.928
  672    HD3  ARG 109           HD3      ARG 109  -4.355  -8.237   0.235
  673   HH11  ARG 109          HH12      ARG 109  -5.021 -10.324  -2.556
  674   HH12  ARG 109          HH11      ARG 109  -4.508 -10.197  -4.210
  675   HH21  ARG 109          HH22      ARG 109  -2.278  -7.569  -3.641
  676   HH22  ARG 109          HH21      ARG 109  -2.940  -8.662  -4.815
  677    HA   PRO 110           HA       PRO 110  -8.198 -13.601  -0.004
  678    HB2  PRO 110           HB2      PRO 110  -8.684 -15.100   2.325
  679    HB3  PRO 110           HB3      PRO 110  -7.415 -15.382   1.137
  680    HG2  PRO 110           HG2      PRO 110  -7.071 -14.555   3.808
  681    HG3  PRO 110           HG3      PRO 110  -5.832 -14.606   2.548
  682    HD2  PRO 110           HD2      PRO 110  -7.388 -12.300   3.575
  683    HD3  PRO 110           HD3      PRO 110  -5.756 -12.345   2.880
  684    H    LYS 111           HN       LYS 111  -9.099 -11.986   2.990
  685    HA   LYS 111           HA       LYS 111 -11.052 -11.281   3.883
  686    HB2  LYS 111           HB2      LYS 111 -11.896 -11.558   1.013
  687    HB3  LYS 111           HB3      LYS 111 -13.072 -11.131   2.251
  688    HG2  LYS 111           HG2      LYS 111 -11.534  -9.230   2.879
  689    HG3  LYS 111           HG3      LYS 111 -10.627  -9.595   1.412
  690    HD2  LYS 111           HD2      LYS 111 -12.629  -9.220   0.072
  691    HD3  LYS 111           HD3      LYS 111 -13.562  -8.895   1.529
  692    HE2  LYS 111           HE2      LYS 111 -11.981  -6.998   2.004
  693    HE3  LYS 111           HE3      LYS 111 -11.288  -7.269   0.410
  694    HZ1  LYS 111           HZ3      LYS 111 -14.001  -6.316   1.102
  695    HZ2  LYS 111           HZ1      LYS 111 -13.672  -6.980  -0.424
  696    HZ3  LYS 111           HZ2      LYS 111 -12.853  -5.596   0.094
  697    H    LEU 112           HN       LEU 112 -12.027 -13.862   1.640
  698    HA   LEU 112           HA       LEU 112 -13.267 -15.225   3.918
  699    HG   LEU 112           HG       LEU 112 -13.733 -15.504   0.174
  700    HB2  LEU 112           HB2      LEU 112 -14.991 -16.126   2.364
  701    HB3  LEU 112           HB3      LEU 112 -15.089 -14.398   2.627
  702   HD11  LEU 112          HD11      LEU 112 -15.948 -16.531   0.260
  703   HD12  LEU 112          HD12      LEU 112 -16.678 -14.945   0.508
  704   HD13  LEU 112          HD13      LEU 112 -15.863 -15.312  -1.012
  705   HD21  LEU 112          HD23      LEU 112 -13.365 -13.176   0.434
  706   HD22  LEU 112          HD21      LEU 112 -14.655 -13.332  -0.752
  707   HD23  LEU 112          HD22      LEU 112 -15.039 -12.889   0.912
  708    H    ASN 113           HN       ASN 113 -13.056 -16.463   0.607
  709    HA   ASN 113           HA       ASN 113 -11.080 -18.429   1.567
  710    HB2  ASN 113           HB2      ASN 113 -13.073 -18.800  -0.680
  711    HB3  ASN 113           HB3      ASN 113 -11.949 -20.011  -0.070
  712   HD21  ASN 113          HD21      ASN 113 -12.377 -21.023   1.895
  713   HD22  ASN 113          HD22      ASN 113 -13.940 -20.945   2.642
  714    H    LYS 114           HN       LYS 114 -11.319 -15.738  -0.067
  715    HA   LYS 114           HA       LYS 114 -10.174 -14.600  -1.618
  716    HB2  LYS 114           HB2      LYS 114  -8.197 -15.734  -0.575
  717    HB3  LYS 114           HB3      LYS 114  -8.320 -16.975  -1.815
  718    HG2  LYS 114           HG2      LYS 114  -7.877 -15.364  -3.546
  719    HG3  LYS 114           HG3      LYS 114  -7.924 -14.045  -2.380
  720    HD2  LYS 114           HD2      LYS 114  -5.664 -14.339  -2.588
  721    HD3  LYS 114           HD3      LYS 114  -5.996 -15.402  -1.223
  722    HE2  LYS 114           HE2      LYS 114  -5.787 -16.295  -4.105
  723    HE3  LYS 114           HE3      LYS 114  -4.486 -16.399  -2.923
  724    HZ1  LYS 114           HZ3      LYS 114  -7.107 -17.755  -2.611
  725    HZ2  LYS 114           HZ1      LYS 114  -5.726 -17.963  -1.652
  726    HZ3  LYS 114           HZ2      LYS 114  -5.731 -18.493  -3.262
  727    HA   PRO 115           HA       PRO 115 -12.718 -15.796  -5.045
  728    HB2  PRO 115           HB2      PRO 115 -10.899 -13.802  -6.339
  729    HB3  PRO 115           HB3      PRO 115 -12.657 -13.946  -6.435
  730    HG2  PRO 115           HG2      PRO 115 -11.524 -12.113  -4.870
  731    HG3  PRO 115           HG3      PRO 115 -12.971 -12.990  -4.343
  732    HD2  PRO 115           HD2      PRO 115 -10.155 -13.282  -3.453
  733    HD3  PRO 115           HD3      PRO 115 -11.658 -13.557  -2.552
  734    HA   PRO 116           HA       PRO 116  -9.678 -18.702  -6.667
  735    HB2  PRO 116           HB2      PRO 116 -11.989 -20.227  -7.568
  736    HB3  PRO 116           HB3      PRO 116 -10.806 -20.638  -6.325
  737    HG2  PRO 116           HG2      PRO 116 -13.388 -20.043  -5.751
  738    HG3  PRO 116           HG3      PRO 116 -12.052 -19.688  -4.643
  739    HD2  PRO 116           HD2      PRO 116 -13.473 -17.851  -6.536
  740    HD3  PRO 116           HD3      PRO 116 -12.976 -17.564  -4.854
  741    H    GLU 117           HN       GLU 117 -12.642 -17.893  -8.459
  742    HA   GLU 117           HA       GLU 117 -11.081 -17.940 -10.951
  743    HB2  GLU 117           HB2      GLU 117 -13.813 -19.147 -10.472
  744    HB3  GLU 117           HB3      GLU 117 -13.095 -18.934 -12.063
  745    HG2  GLU 117           HG2      GLU 117 -11.314 -20.448 -11.527
  746    HG3  GLU 117           HG3      GLU 117 -11.864 -20.569  -9.860
  747    H    THR 118           HN       THR 118 -11.006 -15.655 -10.553
  748    HA   THR 118           HA       THR 118 -11.610 -13.530 -11.056
  749    HB   THR 118           HB       THR 118 -14.212 -14.576 -12.200
  750    HG1  THR 118           HG1      THR 118 -12.618 -15.751 -13.233
  751   HG21  THR 118          HG23      THR 118 -12.484 -12.177 -12.833
  752   HG22  THR 118          HG21      THR 118 -14.048 -12.155 -12.021
  753   HG23  THR 118          HG22      THR 118 -13.939 -12.639 -13.715
  754    H    LEU 119           HN       LEU 119 -13.219 -11.831 -10.402
  755    HA   LEU 119           HA       LEU 119 -13.891 -12.122  -7.706
  756    HG   LEU 119           HG       LEU 119 -13.447  -8.508  -8.323
  757    HB2  LEU 119           HB2      LEU 119 -14.729 -10.093  -9.766
  758    HB3  LEU 119           HB3      LEU 119 -15.276 -10.007  -8.105
  759   HD11  LEU 119          HD11      LEU 119 -11.885  -9.377  -6.692
  760   HD12  LEU 119          HD12      LEU 119 -13.537  -9.833  -6.269
  761   HD13  LEU 119          HD13      LEU 119 -12.452 -11.019  -6.996
  762   HD21  LEU 119          HD23      LEU 119 -12.470  -9.528 -10.373
  763   HD22  LEU 119          HD21      LEU 119 -11.273  -9.089  -9.155
  764   HD23  LEU 119          HD22      LEU 119 -11.751 -10.777  -9.356
  765    H    ILE 120           HN       ILE 120 -16.326 -11.371 -10.189
  766    HA   ILE 120           HA       ILE 120 -18.012 -13.486  -9.037
  767    HB   ILE 120           HB       ILE 120 -19.062 -10.800  -9.988
  768   HG12  ILE 120          HG12      ILE 120 -17.850 -10.661  -7.809
  769   HG13  ILE 120          HG13      ILE 120 -19.571 -10.320  -7.662
  770   HG21  ILE 120          HG21      ILE 120 -20.626 -12.628 -10.369
  771   HG22  ILE 120          HG22      ILE 120 -20.463 -13.139  -8.690
  772   HG23  ILE 120          HG23      ILE 120 -21.205 -11.585  -9.070
  773   HD11  ILE 120          HD13      ILE 120 -18.223 -12.921  -6.970
  774   HD12  ILE 120          HD11      ILE 120 -18.777 -11.698  -5.825
  775   HD13  ILE 120          HD12      ILE 120 -19.946 -12.576  -6.814
  776    H    THR 121           HN       THR 121 -19.204 -11.446 -11.562
  777    HA   THR 121           HA       THR 121 -20.142 -12.047 -13.548
  778    HB   THR 121           HB       THR 121 -17.828 -11.196 -14.038
  779    HG1  THR 121           HG1      THR 121 -19.583 -12.405 -15.661
  780   HG21  THR 121          HG23      THR 121 -17.209 -14.115 -14.492
  781   HG22  THR 121          HG21      THR 121 -16.514 -13.090 -13.237
  782   HG23  THR 121          HG22      THR 121 -16.169 -12.761 -14.935
  783    H    THR 122           HN       THR 122 -20.525 -14.119 -11.697
  784    HA   THR 122           HA       THR 122 -19.905 -16.633 -12.962
  785    HB   THR 122           HB       THR 122 -21.268 -17.593 -11.092
  786    HG1  THR 122           HG1      THR 122 -22.372 -15.322 -10.955
  787   HG21  THR 122          HG23      THR 122 -18.844 -17.284 -10.873
  788   HG22  THR 122          HG21      THR 122 -19.660 -17.034  -9.333
  789   HG23  THR 122          HG22      THR 122 -19.106 -15.650 -10.269
  790    H    ILE 123           HN       ILE 123 -21.107 -17.672 -14.363
  791    HA   ILE 123           HA       ILE 123 -22.724 -18.084 -15.889
  792    HB   ILE 123           HB       ILE 123 -23.381 -19.484 -13.994
  793   HG12  ILE 123          HG12      ILE 123 -25.715 -18.355 -15.550
  794   HG13  ILE 123          HG13      ILE 123 -24.628 -19.628 -16.087
  795   HG21  ILE 123          HG21      ILE 123 -23.869 -17.812 -12.312
  796   HG22  ILE 123          HG22      ILE 123 -25.258 -17.250 -13.242
  797   HG23  ILE 123          HG23      ILE 123 -25.261 -18.872 -12.544
  798   HD11  ILE 123          HD13      ILE 123 -26.591 -19.765 -13.814
  799   HD12  ILE 123          HD11      ILE 123 -26.689 -20.602 -15.362
  800   HD13  ILE 123          HD12      ILE 123 -25.429 -21.031 -14.208
  801    H    ASP 124           HN       ASP 124 -22.370 -15.766 -16.544
  802    HA   ASP 124           HA       ASP 124 -24.594 -13.976 -16.130
  803    HB2  ASP 124           HB2      ASP 124 -22.000 -13.846 -17.608
  804    HB3  ASP 124           HB3      ASP 124 -23.281 -12.723 -18.051
  805    H    SER 125           HN       SER 125 -26.195 -15.511 -16.924
  806    HA   SER 125           HA       SER 125 -27.769 -16.105 -18.436
  807    HG   SER 125           HG       SER 125 -27.026 -12.832 -19.144
  808    HB2  SER 125           HB2      SER 125 -26.250 -14.343 -20.379
  809    HB3  SER 125           HB3      SER 125 -27.879 -14.977 -20.612
  810    H    SER 126           HN       SER 126 -24.894 -15.879 -20.556
  811    HA   SER 126           HA       SER 126 -25.385 -18.700 -21.251
  812    HG   SER 126           HG       SER 126 -26.776 -17.767 -22.922
  813    HB2  SER 126           HB2      SER 126 -24.243 -16.490 -22.982
  814    HB3  SER 126           HB3      SER 126 -24.503 -18.161 -23.489
  815    H    SER 127           HN       SER 127 -23.008 -18.963 -22.815
  816    HA   SER 127           HA       SER 127 -21.132 -19.809 -20.970
  817    HG   SER 127           HG       SER 127 -20.940 -21.436 -23.756
  818    HB2  SER 127           HB2      SER 127 -20.490 -18.854 -23.767
  819    HB3  SER 127           HB3      SER 127 -19.640 -20.081 -22.823
  820    H    SER 128           HN       SER 128 -19.180 -18.978 -20.241
  821    HA   SER 128           HA       SER 128 -19.293 -16.227 -19.537
  822    HG   SER 128           HG       SER 128 -16.719 -18.523 -20.014
  823    HB2  SER 128           HB2      SER 128 -17.132 -16.777 -18.362
  824    HB3  SER 128           HB3      SER 128 -18.486 -17.821 -17.933
  825    HHA  HEM 129           HHA      HEM 129  -6.127  17.576  -6.313
  826    HHB  HEM 129           HHB      HEM 129  -2.356  12.349  -6.439
  827    HHC  HEM 129           HHC      HEM 129  -5.453   9.999  -1.382
  828    HHD  HEM 129           HHD      HEM 129  -9.444  15.084  -1.383
  829    HAB  HEM 129           HAB      HEM 129  -2.372   9.252  -1.436
  830    HAC  HEM 129           HAC      HEM 129 -10.200  13.667   0.222
  831   HMA1  HEM 129          HMA1      HEM 129  -2.198  15.287  -8.979
  832   HMA2  HEM 129          HMA2      HEM 129  -1.330  14.487  -7.663
  833   HMA3  HEM 129          HMA3      HEM 129  -2.398  13.557  -8.725
  834   HAA1  HEM 129          HAA1      HEM 129  -3.845  17.796  -8.189
  835   HAA2  HEM 129          HAA2      HEM 129  -3.596  16.509  -8.903
  836   HBA1  HEM 129          HBA1      HEM 129  -4.564  16.514 -10.444
  837   HBA2  HEM 129          HBA2      HEM 129  -5.816  17.621  -9.846
  838   HMB1  HEM 129          HMB1      HEM 129  -0.413  11.003  -4.195
  839   HMB2  HEM 129          HMB2      HEM 129  -1.210   9.810  -5.413
  840   HMB3  HEM 129          HMB3      HEM 129  -1.203   9.775  -3.887
  841   HBB1  HEM 129          HBB1      HEM 129  -4.063   7.793  -3.512
  842   HBB2  HEM 129          HBB2      HEM 129  -3.119   7.071  -2.065
  843   HMC1  HEM 129          HMC1      HEM 129  -7.125   9.474  -0.272
  844   HMC2  HEM 129          HMC2      HEM 129  -7.259  10.440   1.201
  845   HMC3  HEM 129          HMC3      HEM 129  -8.713   9.988   0.244
  846   HBC1  HEM 129          HBC1      HEM 129 -10.280  12.720   2.391
  847   HBC2  HEM 129          HBC2      HEM 129  -8.701  11.792   2.114
  848   HMD1  HEM 129          HMD1      HEM 129 -10.295  17.047  -1.682
  849   HMD2  HEM 129          HMD2      HEM 129 -10.339  18.453  -2.917
  850   HMD3  HEM 129          HMD3      HEM 129  -9.206  18.055  -1.997
  851   HAD1  HEM 129          HAD1      HEM 129  -8.667  18.622  -6.157
  852   HAD2  HEM 129          HAD2      HEM 129  -9.360  18.631  -4.812
  853   HBD1  HEM 129          HBD1      HEM 129  -7.922  20.803  -5.245
  854   HBD2  HEM 129          HBD2      HEM 129  -7.518  20.078  -3.681
  Start of MODEL    2
    1    HA   MET  21           HA       MET  21  -8.716  -8.621 -11.789
    2    H1   MET  21           1H       MET  21  -6.653 -10.074 -10.384
    3    HB2  MET  21           HB2      MET  21  -9.520  -8.354  -9.516
    4    HB3  MET  21           HB3      MET  21  -7.926  -7.852  -8.970
    5    HG2  MET  21           HG2      MET  21  -9.357  -5.935  -9.140
    6    HG3  MET  21           HG3      MET  21  -8.104  -5.839 -10.379
    7    HE1  MET  21           HE3      MET  21 -10.832  -4.125 -10.279
    8    HE2  MET  21           HE1      MET  21  -9.627  -3.903 -11.547
    9    HE3  MET  21           HE2      MET  21 -11.320  -4.153 -11.974
   10    H    ALA  22           HN       ALA  22  -6.114  -7.629  -9.626
   11    HA   ALA  22           HA       ALA  22  -4.188  -7.114 -11.652
   12    HB1  ALA  22           HB3      ALA  22  -5.546  -4.704 -10.422
   13    HB2  ALA  22           HB1      ALA  22  -4.134  -4.672 -11.476
   14    HB3  ALA  22           HB2      ALA  22  -5.690  -5.217 -12.105
   15    H    GLU  23           HN       GLU  23  -2.236  -7.203 -10.681
   16    HA   GLU  23           HA       GLU  23  -2.162  -6.969  -7.756
   17    HB2  GLU  23           HB2      GLU  23   0.315  -7.918  -8.536
   18    HB3  GLU  23           HB3      GLU  23  -1.027  -8.884  -7.940
   19    HG2  GLU  23           HG2      GLU  23  -0.078  -9.821  -9.982
   20    HG3  GLU  23           HG3      GLU  23  -1.754  -9.319 -10.221
   21    H    GLN  24           HN       GLN  24   0.639  -6.611  -9.776
   22    HA   GLN  24           HA       GLN  24   0.743  -3.742  -9.789
   23    HB2  GLN  24           HB2      GLN  24   2.601  -5.307  -7.963
   24    HB3  GLN  24           HB3      GLN  24   3.000  -3.712  -8.573
   25    HG2  GLN  24           HG2      GLN  24   0.592  -4.332  -6.883
   26    HG3  GLN  24           HG3      GLN  24   2.131  -3.737  -6.261
   27   HE21  GLN  24          HE21      GLN  24   1.346  -1.847  -5.475
   28   HE22  GLN  24          HE22      GLN  24   0.765  -0.565  -6.479
   29    H    SER  25           HN       SER  25   3.277  -6.114  -9.473
   30    HA   SER  25           HA       SER  25   3.427  -6.601 -12.321
   31    HG   SER  25           HG       SER  25   3.900  -4.289 -12.159
   32    HB2  SER  25           HB2      SER  25   5.803  -5.564 -10.731
   33    HB3  SER  25           HB3      SER  25   5.836  -6.085 -12.420
   34    H    ASP  26           HN       ASP  26   3.087  -7.640  -9.374
   35    HA   ASP  26           HA       ASP  26   4.201 -10.232  -9.729
   36    HB2  ASP  26           HB2      ASP  26   5.670 -10.205  -7.754
   37    HB3  ASP  26           HB3      ASP  26   6.238  -9.089  -8.990
   38    H    GLU  27           HN       GLU  27   3.426 -11.711  -8.107
   39    HA   GLU  27           HA       GLU  27   0.748 -11.227  -7.525
   40    HB2  GLU  27           HB2      GLU  27   1.659 -13.451  -7.868
   41    HB3  GLU  27           HB3      GLU  27   2.625 -13.310  -6.405
   42    HG2  GLU  27           HG2      GLU  27   0.817 -14.645  -5.808
   43    HG3  GLU  27           HG3      GLU  27   0.424 -13.049  -5.170
   44    H    ALA  28           HN       ALA  28   3.255 -11.858  -5.064
   45    HA   ALA  28           HA       ALA  28   1.447 -10.782  -3.058
   46    HB1  ALA  28           HB3      ALA  28   2.968 -11.760  -1.420
   47    HB2  ALA  28           HB1      ALA  28   2.473 -12.950  -2.625
   48    HB3  ALA  28           HB2      ALA  28   4.076 -12.214  -2.716
   49    H    VAL  29           HN       VAL  29   1.562  -8.612  -3.353
   50    HA   VAL  29           HA       VAL  29   3.926  -7.049  -3.288
   51    HB   VAL  29           HB       VAL  29   1.101  -6.332  -2.450
   52   HG11  VAL  29          HG11      VAL  29   1.738  -4.024  -2.908
   53   HG12  VAL  29          HG12      VAL  29   2.732  -4.725  -1.632
   54   HG13  VAL  29          HG13      VAL  29   3.387  -4.544  -3.257
   55   HG21  VAL  29          HG23      VAL  29   1.131  -7.147  -4.726
   56   HG22  VAL  29          HG21      VAL  29   0.882  -5.399  -4.715
   57   HG23  VAL  29          HG22      VAL  29   2.464  -6.059  -5.124
   58    H    LYS  30           HN       LYS  30   4.755  -5.813  -1.465
   59    HA   LYS  30           HA       LYS  30   4.991  -7.153   0.953
   60    HB2  LYS  30           HB2      LYS  30   5.211  -4.165   0.532
   61    HB3  LYS  30           HB3      LYS  30   5.854  -5.063   1.897
   62    HG2  LYS  30           HG2      LYS  30   7.382  -6.255   0.413
   63    HG3  LYS  30           HG3      LYS  30   6.721  -5.374  -0.971
   64    HD2  LYS  30           HD2      LYS  30   8.130  -4.142   1.403
   65    HD3  LYS  30           HD3      LYS  30   8.831  -4.395  -0.200
   66    HE2  LYS  30           HE2      LYS  30   7.108  -2.915  -1.159
   67    HE3  LYS  30           HE3      LYS  30   6.468  -2.636   0.462
   68    HZ1  LYS  30           HZ3      LYS  30   7.934  -0.845  -0.251
   69    HZ2  LYS  30           HZ1      LYS  30   9.211  -1.948  -0.457
   70    HZ3  LYS  30           HZ2      LYS  30   8.575  -1.653   1.091
   71    H    TYR  31           HN       TYR  31   3.696  -7.394   2.675
   72    HA   TYR  31           HA       TYR  31   1.191  -5.867   2.670
   73    HD1  TYR  31           HD2      TYR  31  -0.034  -6.843   1.284
   74    HD2  TYR  31           HD1      TYR  31   1.448 -10.473   2.941
   75    HE1  TYR  31           HE2      TYR  31  -0.682  -8.039  -0.764
   76    HE2  TYR  31           HE1      TYR  31   0.809 -11.674   0.901
   77    HH   TYR  31           HH       TYR  31  -0.759 -11.423  -0.959
   78    HB2  TYR  31           HB2      TYR  31   1.861  -8.473   4.046
   79    HB3  TYR  31           HB3      TYR  31   0.298  -7.659   4.101
   80    H    TYR  32           HN       TYR  32   0.373  -5.000   4.596
   81    HA   TYR  32           HA       TYR  32   2.136  -5.123   6.949
   82    HD1  TYR  32           HD2      TYR  32   3.669  -3.098   7.924
   83    HD2  TYR  32           HD1      TYR  32   2.007  -2.134   4.130
   84    HE1  TYR  32           HE2      TYR  32   5.875  -2.314   7.167
   85    HE2  TYR  32           HE1      TYR  32   4.207  -1.354   3.359
   86    HH   TYR  32           HH       TYR  32   7.075  -2.036   5.002
   87    HB2  TYR  32           HB2      TYR  32   0.574  -2.753   5.904
   88    HB3  TYR  32           HB3      TYR  32   1.187  -2.836   7.562
   89    H    THR  33           HN       THR  33   0.272  -4.058   8.812
   90    HA   THR  33           HA       THR  33  -1.925  -5.974   8.421
   91    HB   THR  33           HB       THR  33  -2.115  -6.012  10.923
   92    HG1  THR  33           HG1      THR  33  -0.275  -5.281  12.085
   93   HG21  THR  33          HG23      THR  33  -1.041  -7.849   9.758
   94   HG22  THR  33          HG21      THR  33  -0.177  -7.509  11.255
   95   HG23  THR  33          HG22      THR  33   0.485  -6.964   9.716
   96    H    LEU  34           HN       LEU  34  -3.988  -5.416   9.455
   97    HA   LEU  34           HA       LEU  34  -5.067  -2.924   9.113
   98    HG   LEU  34           HG       LEU  34  -6.717  -2.533  11.602
   99    HB2  LEU  34           HB2      LEU  34  -6.310  -4.947   9.839
  100    HB3  LEU  34           HB3      LEU  34  -5.597  -4.797  11.434
  101   HD11  LEU  34          HD11      LEU  34  -7.115  -2.227   9.199
  102   HD12  LEU  34          HD12      LEU  34  -8.248  -3.576   9.223
  103   HD13  LEU  34          HD13      LEU  34  -8.605  -2.110  10.137
  104   HD21  LEU  34          HD23      LEU  34  -7.538  -4.559  12.727
  105   HD22  LEU  34          HD21      LEU  34  -8.851  -3.487  12.242
  106   HD23  LEU  34          HD22      LEU  34  -8.507  -4.941  11.306
  107    H    GLU  35           HN       GLU  35  -3.415  -4.249  11.844
  108    HA   GLU  35           HA       GLU  35  -3.622  -2.381  13.825
  109    HB2  GLU  35           HB2      GLU  35  -1.147  -3.995  13.181
  110    HB3  GLU  35           HB3      GLU  35  -1.603  -3.355  14.752
  111    HG2  GLU  35           HG2      GLU  35  -3.430  -4.888  14.923
  112    HG3  GLU  35           HG3      GLU  35  -3.208  -5.420  13.261
  113    H    GLU  36           HN       GLU  36  -1.300  -2.562  11.216
  114    HA   GLU  36           HA       GLU  36   0.400  -0.511  12.240
  115    HB2  GLU  36           HB2      GLU  36   0.292  -2.124   9.694
  116    HB3  GLU  36           HB3      GLU  36   1.396  -0.767   9.838
  117    HG2  GLU  36           HG2      GLU  36   1.351  -3.008  11.830
  118    HG3  GLU  36           HG3      GLU  36   2.314  -3.068  10.358
  119    H    ILE  37           HN       ILE  37  -2.089  -0.693   9.766
  120    HA   ILE  37           HA       ILE  37  -1.558   1.952   8.769
  121    HB   ILE  37           HB       ILE  37  -3.977   0.193   8.280
  122   HG12  ILE  37          HG12      ILE  37  -1.384   0.463   6.727
  123   HG13  ILE  37          HG13      ILE  37  -1.872  -0.938   7.678
  124   HG21  ILE  37          HG21      ILE  37  -2.853   2.485   6.665
  125   HG22  ILE  37          HG22      ILE  37  -4.276   1.522   6.266
  126   HG23  ILE  37          HG23      ILE  37  -4.286   2.568   7.685
  127   HD11  ILE  37          HD13      ILE  37  -2.195  -1.290   5.293
  128   HD12  ILE  37          HD11      ILE  37  -3.727  -1.334   6.169
  129   HD13  ILE  37          HD12      ILE  37  -3.282   0.095   5.230
  130    H    GLN  38           HN       GLN  38  -3.506   0.516  11.207
  131    HA   GLN  38           HA       GLN  38  -5.008   2.860  11.905
  132    HB2  GLN  38           HB2      GLN  38  -4.310   0.252  13.225
  133    HB3  GLN  38           HB3      GLN  38  -5.101   1.520  14.140
  134    HG2  GLN  38           HG2      GLN  38  -6.176   0.341  11.592
  135    HG3  GLN  38           HG3      GLN  38  -6.631  -0.200  13.206
  136   HE21  GLN  38          HE21      GLN  38  -6.832   2.384  10.879
  137   HE22  GLN  38          HE22      GLN  38  -8.141   3.220  11.632
  138    H    LYS  39           HN       LYS  39  -1.877   1.602  12.469
  139    HA   LYS  39           HA       LYS  39  -1.285   3.116  14.855
  140    HB2  LYS  39           HB2      LYS  39  -0.548   0.742  14.203
  141    HB3  LYS  39           HB3      LYS  39   0.594   1.522  13.125
  142    HG2  LYS  39           HG2      LYS  39   1.828   2.415  14.890
  143    HG3  LYS  39           HG3      LYS  39   0.545   2.095  16.063
  144    HD2  LYS  39           HD2      LYS  39   1.051  -0.124  16.226
  145    HD3  LYS  39           HD3      LYS  39   1.588  -0.229  14.547
  146    HE2  LYS  39           HE2      LYS  39   3.481  -0.563  15.952
  147    HE3  LYS  39           HE3      LYS  39   3.624   1.021  15.188
  148    HZ1  LYS  39           HZ3      LYS  39   2.544   0.633  17.930
  149    HZ2  LYS  39           HZ1      LYS  39   3.006   2.086  17.190
  150    HZ3  LYS  39           HZ2      LYS  39   4.183   0.946  17.613
  151    H    HIS  40           HN       HIS  40  -1.353   3.801  11.608
  152    HA   HIS  40           HA       HIS  40   0.682   5.924  11.834
  153    HD1  HIS  40           HD1      HIS  40   1.581   2.149   9.342
  154    HD2  HIS  40           HD2      HIS  40   3.105   4.952  11.990
  155    HE1  HIS  40           HE1      HIS  40   3.573   1.050  10.402
  156    HE2  HIS  40           HE2      HIS  40   4.352   2.682  12.149
  157    HB2  HIS  40           HB2      HIS  40   0.189   4.161   9.418
  158    HB3  HIS  40           HB3      HIS  40   1.277   5.547   9.460
  159    H    ASN  41           HN       ASN  41  -2.010   6.149  12.374
  160    HA   ASN  41           HA       ASN  41  -3.356   7.250  10.016
  161    HB2  ASN  41           HB2      ASN  41  -5.365   7.110  11.358
  162    HB3  ASN  41           HB3      ASN  41  -4.496   5.587  11.488
  163   HD21  ASN  41          HD21      ASN  41  -6.460   6.853  13.251
  164   HD22  ASN  41          HD22      ASN  41  -5.715   6.921  14.809
  165    H    HIS  42           HN       HIS  42  -1.155   8.746  11.334
  166    HA   HIS  42           HA       HIS  42  -2.601  11.056  12.349
  167    HD1  HIS  42           HD1      HIS  42   1.166   9.844  13.229
  168    HD2  HIS  42           HD2      HIS  42  -1.510   7.478  15.348
  169    HE1  HIS  42           HE1      HIS  42   2.431   7.751  13.801
  170    HE2  HIS  42           HE2      HIS  42   0.742   6.269  14.937
  171    HB2  HIS  42           HB2      HIS  42  -1.210  11.024  14.473
  172    HB3  HIS  42           HB3      HIS  42  -2.479   9.809  14.359
  173    H    SER  43           HN       SER  43  -0.552  12.385  13.598
  174    HA   SER  43           HA       SER  43   0.649  13.733  11.495
  175    HG   SER  43           HG       SER  43   1.102  14.052  15.476
  176    HB2  SER  43           HB2      SER  43   2.080  14.732  13.344
  177    HB3  SER  43           HB3      SER  43   0.331  14.834  13.579
  178    H    LYS  44           HN       LYS  44   2.392  11.791  13.929
  179    HA   LYS  44           HA       LYS  44   4.920  11.966  12.951
  180    HB2  LYS  44           HB2      LYS  44   3.498   9.915  14.547
  181    HB3  LYS  44           HB3      LYS  44   5.065   9.463  13.895
  182    HG2  LYS  44           HG2      LYS  44   5.311  10.316  16.139
  183    HG3  LYS  44           HG3      LYS  44   6.076  11.418  14.986
  184    HD2  LYS  44           HD2      LYS  44   4.086  12.857  15.074
  185    HD3  LYS  44           HD3      LYS  44   3.354  11.770  16.249
  186    HE2  LYS  44           HE2      LYS  44   5.880  13.373  16.611
  187    HE3  LYS  44           HE3      LYS  44   4.319  13.678  17.374
  188    HZ1  LYS  44           HZ3      LYS  44   5.776  12.557  18.905
  189    HZ2  LYS  44           HZ1      LYS  44   6.051  11.294  17.805
  190    HZ3  LYS  44           HZ2      LYS  44   4.512  11.514  18.482
  191    H    SER  45           HN       SER  45   2.471   9.724  11.793
  192    HA   SER  45           HA       SER  45   3.848   9.535   9.292
  193    HG   SER  45           HG       SER  45   4.390   7.345   8.256
  194    HB2  SER  45           HB2      SER  45   4.912   7.655  10.495
  195    HB3  SER  45           HB3      SER  45   3.323   6.995  10.872
  196    H    THR  46           HN       THR  46   2.376   9.421   7.690
  197    HA   THR  46           HA       THR  46  -0.411   9.044   8.549
  198    HB   THR  46           HB       THR  46   0.473  10.893   6.328
  199    HG1  THR  46           HG1      THR  46   0.358  11.286   9.110
  200   HG21  THR  46          HG23      THR  46  -2.076  10.637   7.929
  201   HG22  THR  46          HG21      THR  46  -1.855  10.223   6.229
  202   HG23  THR  46          HG22      THR  46  -1.752  11.907   6.750
  203    H    TRP  47           HN       TRP  47  -1.208   7.237   7.691
  204    HA   TRP  47           HA       TRP  47  -0.507   6.585   4.902
  205    HD1  TRP  47           HD1      TRP  47   1.605   6.541   6.067
  206    HE1  TRP  47           HE1      TRP  47   3.798   5.267   6.452
  207    HE3  TRP  47           HE3      TRP  47  -0.314   1.872   6.801
  208    HZ2  TRP  47           HZ2      TRP  47   4.613   2.613   7.005
  209    HZ3  TRP  47           HZ3      TRP  47   1.236   0.015   7.254
  210    HH2  TRP  47           HH2      TRP  47   3.650   0.378   7.354
  211    HB2  TRP  47           HB2      TRP  47  -1.246   4.723   7.170
  212    HB3  TRP  47           HB3      TRP  47  -1.182   4.218   5.488
  213    H    LEU  48           HN       LEU  48  -2.202   5.687   3.588
  214    HA   LEU  48           HA       LEU  48  -4.845   5.548   4.782
  215    HG   LEU  48           HG       LEU  48  -4.277   6.150   1.234
  216    HB2  LEU  48           HB2      LEU  48  -5.986   6.790   3.123
  217    HB3  LEU  48           HB3      LEU  48  -4.675   7.808   3.691
  218   HD11  LEU  48          HD11      LEU  48  -5.151   7.989  -0.116
  219   HD12  LEU  48          HD12      LEU  48  -6.410   7.274   0.894
  220   HD13  LEU  48          HD13      LEU  48  -5.678   8.814   1.350
  221   HD21  LEU  48          HD23      LEU  48  -2.828   8.033   0.637
  222   HD22  LEU  48          HD21      LEU  48  -3.271   8.843   2.141
  223   HD23  LEU  48          HD22      LEU  48  -2.372   7.327   2.186
  224    H    ILE  49           HN       ILE  49  -6.355   4.763   2.741
  225    HA   ILE  49           HA       ILE  49  -4.880   2.699   1.269
  226    HB   ILE  49           HB       ILE  49  -7.322   2.247   2.982
  227   HG12  ILE  49          HG12      ILE  49  -4.637   0.879   2.943
  228   HG13  ILE  49          HG13      ILE  49  -5.113   2.124   4.092
  229   HG21  ILE  49          HG21      ILE  49  -7.769   1.090   0.946
  230   HG22  ILE  49          HG22      ILE  49  -6.131   0.440   0.895
  231   HG23  ILE  49          HG23      ILE  49  -7.253  -0.096   2.147
  232   HD11  ILE  49          HD13      ILE  49  -6.437  -0.558   3.788
  233   HD12  ILE  49          HD11      ILE  49  -5.279  -0.115   5.042
  234   HD13  ILE  49          HD12      ILE  49  -6.851   0.679   4.969
  235    H    LEU  50           HN       LEU  50  -5.409   2.676  -0.790
  236    HA   LEU  50           HA       LEU  50  -8.046   3.721  -1.589
  237    HG   LEU  50           HG       LEU  50  -5.547   5.698  -1.577
  238    HB2  LEU  50           HB2      LEU  50  -5.436   3.803  -3.109
  239    HB3  LEU  50           HB3      LEU  50  -6.984   4.231  -3.795
  240   HD11  LEU  50          HD11      LEU  50  -6.215   6.460  -4.414
  241   HD12  LEU  50          HD12      LEU  50  -5.445   7.502  -3.223
  242   HD13  LEU  50          HD13      LEU  50  -4.615   6.063  -3.795
  243   HD21  LEU  50          HD23      LEU  50  -7.363   7.288  -1.638
  244   HD22  LEU  50          HD21      LEU  50  -8.190   6.343  -2.880
  245   HD23  LEU  50          HD22      LEU  50  -7.997   5.686  -1.253
  246    H    HIS  51           HN       HIS  51  -9.058   1.724  -1.491
  247    HA   HIS  51           HA       HIS  51  -9.810  -0.263  -2.293
  248    HD1  HIS  51           HD1      HIS  51 -11.295  -0.700  -5.581
  249    HD2  HIS  51           HD2      HIS  51  -9.601   2.911  -4.398
  250    HE1  HIS  51           HE1      HIS  51 -12.879   1.088  -6.361
  251    HE2  HIS  51           HE2      HIS  51 -11.965   3.231  -5.409
  252    HB2  HIS  51           HB2      HIS  51  -8.000   0.402  -4.616
  253    HB3  HIS  51           HB3      HIS  51  -9.036  -1.014  -4.573
  254    H    HIS  52           HN       HIS  52  -8.320  -0.714  -0.323
  255    HA   HIS  52           HA       HIS  52  -7.270  -2.443   0.711
  256    HD1  HIS  52           HD1      HIS  52  -8.762  -4.933  -2.912
  257    HD2  HIS  52           HD2      HIS  52  -9.229  -3.848   1.070
  258    HE1  HIS  52           HE1      HIS  52 -11.080  -5.669  -2.283
  259    HE2  HIS  52           HE2      HIS  52 -11.419  -4.793   0.057
  260    HB2  HIS  52           HB2      HIS  52  -6.864  -3.538  -2.074
  261    HB3  HIS  52           HB3      HIS  52  -6.444  -4.393  -0.590
  262    H    LYS  53           HN       LYS  53  -5.554  -0.891  -1.966
  263    HA   LYS  53           HA       LYS  53  -2.980  -1.662  -0.935
  264    HB2  LYS  53           HB2      LYS  53  -3.736   0.344  -3.059
  265    HB3  LYS  53           HB3      LYS  53  -2.080  -0.088  -2.648
  266    HG2  LYS  53           HG2      LYS  53  -2.453  -2.356  -3.364
  267    HG3  LYS  53           HG3      LYS  53  -4.162  -2.023  -3.655
  268    HD2  LYS  53           HD2      LYS  53  -3.506  -0.387  -5.389
  269    HD3  LYS  53           HD3      LYS  53  -1.814  -0.801  -5.106
  270    HE2  LYS  53           HE2      LYS  53  -3.934  -2.760  -5.991
  271    HE3  LYS  53           HE3      LYS  53  -2.811  -1.941  -7.076
  272    HZ1  LYS  53           HZ3      LYS  53  -0.992  -2.958  -5.737
  273    HZ2  LYS  53           HZ1      LYS  53  -1.924  -4.069  -6.604
  274    HZ3  LYS  53           HZ2      LYS  53  -2.152  -3.896  -4.931
  275    H    VAL  54           HN       VAL  54  -1.697  -0.574   0.452
  276    HA   VAL  54           HA       VAL  54  -2.857   1.751   1.779
  277    HB   VAL  54           HB       VAL  54  -2.007  -0.085   3.175
  278   HG11  VAL  54          HG11      VAL  54  -0.189  -0.858   1.744
  279   HG12  VAL  54          HG12      VAL  54   0.714   0.614   2.113
  280   HG13  VAL  54          HG13      VAL  54   0.358  -0.544   3.392
  281   HG21  VAL  54          HG23      VAL  54  -0.448   2.470   3.451
  282   HG22  VAL  54          HG21      VAL  54  -2.031   2.123   4.140
  283   HG23  VAL  54          HG22      VAL  54  -0.610   1.242   4.704
  284    H    TYR  55           HN       TYR  55  -1.921   3.751   1.851
  285    HA   TYR  55           HA       TYR  55   0.460   4.176   0.164
  286    HD1  TYR  55           HD1      TYR  55  -3.072   3.814  -0.486
  287    HD2  TYR  55           HD2      TYR  55  -0.303   6.271  -2.573
  288    HE1  TYR  55           HE1      TYR  55  -3.936   2.965  -2.622
  289    HE2  TYR  55           HE2      TYR  55  -1.158   5.429  -4.717
  290    HH   TYR  55           HH       TYR  55  -4.045   3.701  -4.985
  291    HB2  TYR  55           HB2      TYR  55  -1.946   5.972   0.508
  292    HB3  TYR  55           HB3      TYR  55  -0.457   6.471  -0.278
  293    H    ASP  56           HN       ASP  56   1.969   5.706   0.887
  294    HA   ASP  56           HA       ASP  56   1.527   6.734   3.614
  295    HB2  ASP  56           HB2      ASP  56   3.439   5.254   3.627
  296    HB3  ASP  56           HB3      ASP  56   4.129   6.049   2.215
  297    H    LEU  57           HN       LEU  57   1.950   8.948   3.998
  298    HA   LEU  57           HA       LEU  57   2.350  10.462   1.506
  299    HG   LEU  57           HG       LEU  57  -0.961  11.798   2.504
  300    HB2  LEU  57           HB2      LEU  57   1.065  11.487   4.034
  301    HB3  LEU  57           HB3      LEU  57   1.273  12.377   2.550
  302   HD11  LEU  57          HD11      LEU  57   0.069  11.209   0.390
  303   HD12  LEU  57          HD12      LEU  57   0.383   9.575   0.979
  304   HD13  LEU  57          HD13      LEU  57  -1.274  10.133   0.760
  305   HD21  LEU  57          HD23      LEU  57  -1.830   9.550   3.020
  306   HD22  LEU  57          HD21      LEU  57  -0.204   9.062   3.498
  307   HD23  LEU  57          HD22      LEU  57  -1.043  10.328   4.392
  308    H    THR  58           HN       THR  58   2.907  10.859   4.980
  309    HA   THR  58           HA       THR  58   4.441  12.007   6.176
  310    HB   THR  58           HB       THR  58   6.841  11.383   5.648
  311    HG1  THR  58           HG1      THR  58   5.762   9.417   3.923
  312   HG21  THR  58          HG23      THR  58   6.524   9.071   6.393
  313   HG22  THR  58          HG21      THR  58   4.809   9.189   6.015
  314   HG23  THR  58          HG22      THR  58   5.499  10.195   7.288
  315    H    LYS  59           HN       LYS  59   6.362  12.163   3.216
  316    HA   LYS  59           HA       LYS  59   7.034  14.891   3.556
  317    HB2  LYS  59           HB2      LYS  59   7.157  13.062   1.153
  318    HB3  LYS  59           HB3      LYS  59   7.849  14.682   1.182
  319    HG2  LYS  59           HG2      LYS  59   9.383  14.062   2.923
  320    HG3  LYS  59           HG3      LYS  59   8.626  12.476   3.075
  321    HD2  LYS  59           HD2      LYS  59  10.012  13.488   0.587
  322    HD3  LYS  59           HD3      LYS  59  10.754  12.435   1.796
  323    HE2  LYS  59           HE2      LYS  59   9.104  10.714   1.354
  324    HE3  LYS  59           HE3      LYS  59   8.272  11.769   0.212
  325    HZ1  LYS  59           HZ3      LYS  59  11.027  10.686  -0.089
  326    HZ2  LYS  59           HZ1      LYS  59  10.285  11.770  -1.163
  327    HZ3  LYS  59           HZ2      LYS  59   9.663  10.207  -0.966
  328    H    PHE  60           HN       PHE  60   4.503  13.206   1.930
  329    HA   PHE  60           HA       PHE  60   3.781  15.139   0.015
  330    HD1  PHE  60           HD1      PHE  60   3.254  14.735  -1.969
  331    HD2  PHE  60           HD2      PHE  60   0.079  12.598  -0.111
  332    HE1  PHE  60           HE1      PHE  60   1.830  15.151  -3.931
  333    HE2  PHE  60           HE2      PHE  60  -1.351  13.008  -2.068
  334    HZ   PHE  60           HZ       PHE  60  -0.475  14.284  -3.982
  335    HB2  PHE  60           HB2      PHE  60   3.376  12.637  -0.016
  336    HB3  PHE  60           HB3      PHE  60   2.019  12.933   1.060
  337    H    LEU  61           HN       LEU  61   3.240  15.117   3.292
  338    HA   LEU  61           HA       LEU  61   0.558  15.720   3.696
  339    HG   LEU  61           HG       LEU  61   2.903  14.234   5.238
  340    HB2  LEU  61           HB2      LEU  61   2.926  16.667   5.303
  341    HB3  LEU  61           HB3      LEU  61   1.260  16.687   5.848
  342   HD11  LEU  61          HD11      LEU  61   3.466  15.475   7.311
  343   HD12  LEU  61          HD12      LEU  61   1.807  15.243   7.854
  344   HD13  LEU  61          HD13      LEU  61   2.853  13.844   7.600
  345   HD21  LEU  61          HD23      LEU  61   0.064  14.468   6.243
  346   HD22  LEU  61          HD21      LEU  61   0.559  13.880   4.656
  347   HD23  LEU  61          HD22      LEU  61   0.994  12.974   6.105
  348    H    GLU  62           HN       GLU  62   3.233  17.844   2.926
  349    HA   GLU  62           HA       GLU  62   1.473  20.197   3.057
  350    HB2  GLU  62           HB2      GLU  62   3.566  21.490   3.053
  351    HB3  GLU  62           HB3      GLU  62   3.533  20.321   4.369
  352    HG2  GLU  62           HG2      GLU  62   4.970  18.821   3.073
  353    HG3  GLU  62           HG3      GLU  62   4.999  19.998   1.755
  354    H    GLU  63           HN       GLU  63   2.194  17.997   0.867
  355    HA   GLU  63           HA       GLU  63   3.017  19.799  -1.320
  356    HB2  GLU  63           HB2      GLU  63   4.510  17.909  -0.654
  357    HB3  GLU  63           HB3      GLU  63   3.227  16.790  -1.073
  358    HG2  GLU  63           HG2      GLU  63   3.406  17.346  -3.386
  359    HG3  GLU  63           HG3      GLU  63   4.512  18.675  -3.036
  360    H    HIS  64           HN       HIS  64   0.432  18.135  -0.045
  361    HA   HIS  64           HA       HIS  64  -0.917  17.844  -2.604
  362    HD1  HIS  64           HD1      HIS  64  -4.138  16.974   0.152
  363    HD2  HIS  64           HD2      HIS  64  -2.649  14.927  -3.200
  364    HE1  HIS  64           HE1      HIS  64  -6.124  15.796  -0.929
  365    HB2  HIS  64           HB3      HIS  64  -0.850  15.857  -1.189
  366    HB3  HIS  64           HB2      HIS  64  -1.563  16.722   0.133
  367    HA   PRO  65           HA       PRO  65  -3.023  21.711  -2.000
  368    HB2  PRO  65           HB2      PRO  65  -5.495  20.918  -3.083
  369    HB3  PRO  65           HB3      PRO  65  -4.138  21.618  -3.966
  370    HG2  PRO  65           HG2      PRO  65  -4.930  18.759  -3.656
  371    HG3  PRO  65           HG3      PRO  65  -4.229  19.584  -5.055
  372    HD2  PRO  65           HD2      PRO  65  -2.739  17.989  -3.534
  373    HD3  PRO  65           HD3      PRO  65  -2.069  19.496  -4.191
  374    H    GLY  66           HN       GLY  66  -5.654  19.353  -1.662
  375    HA2  GLY  66           HA1      GLY  66  -6.488  20.655   0.809
  376    HA3  GLY  66           HA2      GLY  66  -7.394  19.450  -0.096
  377    H    GLY  67           HN       GLY  67  -4.250  19.658   1.585
  378    HA2  GLY  67           HA1      GLY  67  -4.769  16.907   2.510
  379    HA3  GLY  67           HA2      GLY  67  -3.167  17.547   2.177
  380    H    GLU  68           HN       GLU  68  -2.684  16.719   4.264
  381    HA   GLU  68           HA       GLU  68  -2.287  16.779   6.467
  382    HB2  GLU  68           HB2      GLU  68  -1.425  19.038   5.800
  383    HB3  GLU  68           HB3      GLU  68  -2.965  19.718   6.315
  384    HG2  GLU  68           HG2      GLU  68  -2.583  18.776   8.564
  385    HG3  GLU  68           HG3      GLU  68  -0.999  18.222   8.020
  386    H    GLU  69           HN       GLU  69  -4.657  19.355   6.606
  387    HA   GLU  69           HA       GLU  69  -6.050  18.263   8.815
  388    HB2  GLU  69           HB2      GLU  69  -5.904  20.703   8.225
  389    HB3  GLU  69           HB3      GLU  69  -6.981  20.393   6.869
  390    HG2  GLU  69           HG2      GLU  69  -8.291  21.288   8.628
  391    HG3  GLU  69           HG3      GLU  69  -8.682  19.576   8.503
  392    H    VAL  70           HN       VAL  70  -6.913  18.644   5.387
  393    HA   VAL  70           HA       VAL  70  -9.155  16.814   5.717
  394    HB   VAL  70           HB       VAL  70  -8.339  18.193   3.157
  395   HG11  VAL  70          HG11      VAL  70 -10.699  17.901   2.559
  396   HG12  VAL  70          HG12      VAL  70  -9.919  16.352   2.898
  397   HG13  VAL  70          HG13      VAL  70 -10.984  17.089   4.098
  398   HG21  VAL  70          HG23      VAL  70 -10.246  19.209   5.258
  399   HG22  VAL  70          HG21      VAL  70  -8.661  19.890   4.891
  400   HG23  VAL  70          HG22      VAL  70  -9.945  19.950   3.687
  401    H    LEU  71           HN       LEU  71  -6.454  15.955   6.042
  402    HA   LEU  71           HA       LEU  71  -6.460  13.808   4.033
  403    HG   LEU  71           HG       LEU  71  -3.673  12.661   5.138
  404    HB2  LEU  71           HB2      LEU  71  -4.481  15.213   3.748
  405    HB3  LEU  71           HB3      LEU  71  -4.096  15.052   5.452
  406   HD11  LEU  71          HD11      LEU  71  -5.196  12.209   3.304
  407   HD12  LEU  71          HD12      LEU  71  -4.233  13.224   2.230
  408   HD13  LEU  71          HD13      LEU  71  -3.556  11.726   2.870
  409   HD21  LEU  71          HD23      LEU  71  -2.154  14.309   3.132
  410   HD22  LEU  71          HD21      LEU  71  -1.881  14.359   4.875
  411   HD23  LEU  71          HD22      LEU  71  -1.592  12.867   3.977
  412    H    ARG  72           HN       ARG  72  -5.556  14.796   7.285
  413    HA   ARG  72           HA       ARG  72  -5.245  12.336   8.523
  414    HE   ARG  72           HE       ARG  72  -5.909  17.572  10.748
  415    HB2  ARG  72           HB2      ARG  72  -5.306  13.493  10.555
  416    HB3  ARG  72           HB3      ARG  72  -4.733  14.683   9.394
  417    HG2  ARG  72           HG2      ARG  72  -6.800  15.771   9.333
  418    HG3  ARG  72           HG3      ARG  72  -7.613  14.423  10.122
  419    HD2  ARG  72           HD2      ARG  72  -7.421  15.951  11.849
  420    HD3  ARG  72           HD3      ARG  72  -5.997  14.934  12.085
  421   HH11  ARG  72          HH12      ARG  72  -4.567  15.179  12.917
  422   HH12  ARG  72          HH11      ARG  72  -3.235  16.166  13.405
  423   HH21  ARG  72          HH22      ARG  72  -4.112  18.881  11.346
  424   HH22  ARG  72          HH21      ARG  72  -2.961  18.271  12.505
  425    H    GLU  73           HN       GLU  73  -8.045  13.966   7.541
  426    HA   GLU  73           HA       GLU  73 -10.099  12.891   9.105
  427    HB2  GLU  73           HB2      GLU  73 -10.300  14.828   7.581
  428    HB3  GLU  73           HB3      GLU  73 -10.074  13.764   6.201
  429    HG2  GLU  73           HG2      GLU  73 -12.359  14.141   6.268
  430    HG3  GLU  73           HG3      GLU  73 -12.159  12.551   7.005
  431    H    GLN  74           HN       GLN  74  -8.347  11.687   6.361
  432    HA   GLN  74           HA       GLN  74 -10.094   9.331   6.182
  433    HB2  GLN  74           HB2      GLN  74  -8.332  10.655   4.122
  434    HB3  GLN  74           HB3      GLN  74  -9.185   9.145   3.871
  435    HG2  GLN  74           HG2      GLN  74 -10.432  11.827   4.399
  436    HG3  GLN  74           HG3      GLN  74 -10.402  10.959   2.864
  437   HE21  GLN  74          HE21      GLN  74 -12.683  11.887   4.406
  438   HE22  GLN  74          HE22      GLN  74 -13.634  10.494   4.758
  439    H    ALA  75           HN       ALA  75  -7.101  10.387   7.187
  440    HA   ALA  75           HA       ALA  75  -5.429   8.248   6.339
  441    HB1  ALA  75           HB3      ALA  75  -4.984  10.070   8.691
  442    HB2  ALA  75           HB1      ALA  75  -3.770   9.189   7.765
  443    HB3  ALA  75           HB2      ALA  75  -4.646  10.530   7.021
  444    H    GLY  76           HN       GLY  76  -5.654   6.215   7.015
  445    HA2  GLY  76           HA1      GLY  76  -5.171   5.114   9.336
  446    HA3  GLY  76           HA2      GLY  76  -6.772   5.741   9.675
  447    H    GLY  77           HN       GLY  77  -7.193   5.034   6.569
  448    HA2  GLY  77           HA1      GLY  77  -7.044   2.229   6.438
  449    HA3  GLY  77           HA2      GLY  77  -8.618   2.663   7.091
  450    H    ASP  78           HN       ASP  78  -9.981   2.179   5.480
  451    HA   ASP  78           HA       ASP  78  -9.057   2.048   2.765
  452    HB2  ASP  78           HB2      ASP  78 -10.561   0.401   4.071
  453    HB3  ASP  78           HB3      ASP  78 -11.871   1.494   3.649
  454    H    ALA  79           HN       ALA  79  -8.905   4.589   3.060
  455    HA   ALA  79           HA       ALA  79 -11.098   6.217   3.504
  456    HB1  ALA  79           HB3      ALA  79  -8.518   6.852   2.108
  457    HB2  ALA  79           HB1      ALA  79  -9.643   8.034   2.765
  458    HB3  ALA  79           HB2      ALA  79  -8.813   6.911   3.843
  459    H    THR  80           HN       THR  80 -10.495   4.529   0.714
  460    HA   THR  80           HA       THR  80 -10.998   6.459  -1.278
  461    HB   THR  80           HB       THR  80  -9.680   4.461  -1.692
  462    HG1  THR  80           HG1      THR  80 -12.044   4.566  -3.299
  463   HG21  THR  80          HG23      THR  80 -10.923   2.874  -0.295
  464   HG22  THR  80          HG21      THR  80 -10.700   2.255  -1.934
  465   HG23  THR  80          HG22      THR  80 -12.262   2.911  -1.441
  466    H    GLU  81           HN       GLU  81 -13.107   6.955   0.308
  467    HA   GLU  81           HA       GLU  81 -15.408   5.902  -1.191
  468    HB2  GLU  81           HB2      GLU  81 -15.571   6.137   1.310
  469    HB3  GLU  81           HB3      GLU  81 -15.405   7.880   1.108
  470    HG2  GLU  81           HG2      GLU  81 -17.439   7.943  -0.214
  471    HG3  GLU  81           HG3      GLU  81 -17.593   6.192  -0.093
  472    H    ASN  82           HN       ASN  82 -13.875   8.897  -0.222
  473    HA   ASN  82           HA       ASN  82 -15.027  10.819  -1.804
  474    HB2  ASN  82           HB2      ASN  82 -12.207  10.377  -0.832
  475    HB3  ASN  82           HB3      ASN  82 -12.615  11.806  -1.778
  476   HD21  ASN  82          HD21      ASN  82 -15.233  12.211  -0.609
  477   HD22  ASN  82          HD22      ASN  82 -14.962  12.743   1.017
  478    H    PHE  83           HN       PHE  83 -12.740   8.372  -2.627
  479    HA   PHE  83           HA       PHE  83 -11.777   9.466  -5.067
  480    HD1  PHE  83           HD1      PHE  83 -11.276   6.002  -6.578
  481    HD2  PHE  83           HD2      PHE  83  -8.747   8.725  -4.506
  482    HE1  PHE  83           HE1      PHE  83  -9.572   5.746  -8.332
  483    HE2  PHE  83           HE2      PHE  83  -7.038   8.476  -6.260
  484    HZ   PHE  83           HZ       PHE  83  -7.407   7.020  -8.139
  485    HB2  PHE  83           HB2      PHE  83 -10.677   7.792  -3.444
  486    HB3  PHE  83           HB3      PHE  83 -11.661   6.570  -4.233
  487    H    GLU  84           HN       GLU  84 -14.496   7.600  -4.149
  488    HA   GLU  84           HA       GLU  84 -14.956   6.457  -6.795
  489    HB2  GLU  84           HB2      GLU  84 -16.735   6.231  -4.368
  490    HB3  GLU  84           HB3      GLU  84 -16.679   5.169  -5.765
  491    HG2  GLU  84           HG2      GLU  84 -14.568   5.448  -3.639
  492    HG3  GLU  84           HG3      GLU  84 -15.700   4.112  -3.824
  493    H    ASP  85           HN       ASP  85 -15.937   9.027  -4.776
  494    HA   ASP  85           HA       ASP  85 -18.529   9.431  -6.009
  495    HB2  ASP  85           HB2      ASP  85 -18.372   9.711  -3.607
  496    HB3  ASP  85           HB3      ASP  85 -17.075  10.889  -3.795
  497    H    VAL  86           HN       VAL  86 -15.571  11.384  -5.545
  498    HA   VAL  86           HA       VAL  86 -16.441  12.988  -7.857
  499    HB   VAL  86           HB       VAL  86 -15.013  14.812  -7.017
  500   HG11  VAL  86          HG11      VAL  86 -16.425  15.479  -5.132
  501   HG12  VAL  86          HG12      VAL  86 -17.378  14.786  -6.450
  502   HG13  VAL  86          HG13      VAL  86 -17.034  13.829  -5.007
  503   HG21  VAL  86          HG23      VAL  86 -14.638  13.085  -4.572
  504   HG22  VAL  86          HG21      VAL  86 -13.389  13.478  -5.760
  505   HG23  VAL  86          HG22      VAL  86 -14.097  14.752  -4.762
  506    H    GLY  87           HN       GLY  87 -14.637  10.467  -7.305
  507    HA2  GLY  87           HA1      GLY  87 -12.811   9.502  -8.297
  508    HA3  GLY  87           HA2      GLY  87 -13.023  10.694  -9.573
  509    H    HIS  88           HN       HIS  88 -11.247  11.715  -9.960
  510    HA   HIS  88           HA       HIS  88  -9.954  13.298  -8.007
  511    HD1  HIS  88           HD1      HIS  88  -9.222  10.499  -5.842
  512    HD2  HIS  88           HD2      HIS  88  -6.707  13.608  -7.025
  513    HE1  HIS  88           HE1      HIS  88  -8.062  11.334  -3.736
  514    HB2  HIS  88           HB2      HIS  88  -8.876  10.657  -8.419
  515    HB3  HIS  88           HB3      HIS  88  -7.730  11.861  -9.005
  516    H    SER  89           HN       SER  89  -7.877  14.291  -9.142
  517    HA   SER  89           HA       SER  89  -8.880  15.357 -11.615
  518    HG   SER  89           HG       SER  89  -5.604  16.417  -9.528
  519    HB2  SER  89           HB2      SER  89  -6.677  16.712 -11.350
  520    HB3  SER  89           HB3      SER  89  -7.979  16.955 -10.183
  521    H    THR  90           HN       THR  90  -8.023  12.556 -11.716
  522    HA   THR  90           HA       THR  90  -7.077  11.150 -13.224
  523    HB   THR  90           HB       THR  90  -6.120  13.623 -14.675
  524    HG1  THR  90           HG1      THR  90  -8.160  13.805 -15.193
  525   HG21  THR  90          HG23      THR  90  -6.491  10.777 -15.635
  526   HG22  THR  90          HG21      THR  90  -4.940  11.578 -15.370
  527   HG23  THR  90          HG22      THR  90  -6.027  12.149 -16.640
  528    H    ASP  91           HN       ASP  91  -4.939  13.809 -12.304
  529    HA   ASP  91           HA       ASP  91  -2.451  12.720 -12.747
  530    HB2  ASP  91           HB2      ASP  91  -3.098  15.030 -11.824
  531    HB3  ASP  91           HB3      ASP  91  -3.106  14.260 -10.239
  532    H    ALA  92           HN       ALA  92  -4.520  12.297  -9.916
  533    HA   ALA  92           HA       ALA  92  -2.663  10.665  -8.490
  534    HB1  ALA  92           HB3      ALA  92  -4.512  10.344  -6.899
  535    HB2  ALA  92           HB1      ALA  92  -4.245  12.042  -7.292
  536    HB3  ALA  92           HB2      ALA  92  -5.596  11.171  -8.018
  537    H    ARG  93           HN       ARG  93  -3.951   9.827 -11.230
  538    HA   ARG  93           HA       ARG  93  -4.712   7.103 -10.430
  539    HE   ARG  93           HE       ARG  93  -7.045   6.511 -13.983
  540    HB2  ARG  93           HB2      ARG  93  -4.838   8.544 -13.089
  541    HB3  ARG  93           HB3      ARG  93  -5.248   6.855 -12.883
  542    HG2  ARG  93           HG2      ARG  93  -7.111   7.403 -11.509
  543    HG3  ARG  93           HG3      ARG  93  -6.626   9.100 -11.448
  544    HD2  ARG  93           HD2      ARG  93  -8.398   8.877 -13.035
  545    HD3  ARG  93           HD3      ARG  93  -6.913   9.214 -13.908
  546   HH11  ARG  93          HH12      ARG  93  -9.276   9.068 -14.843
  547   HH12  ARG  93          HH11      ARG  93 -10.124   8.123 -16.023
  548   HH21  ARG  93          HH22      ARG  93  -8.124   5.256 -15.556
  549   HH22  ARG  93          HH21      ARG  93  -9.473   5.936 -16.428
  550    H    GLU  94           HN       GLU  94  -2.112   8.972 -11.352
  551    HA   GLU  94           HA       GLU  94  -0.578   6.684 -12.387
  552    HB2  GLU  94           HB2      GLU  94  -1.423   8.135 -14.217
  553    HB3  GLU  94           HB3      GLU  94  -0.589   9.500 -13.498
  554    HG2  GLU  94           HG2      GLU  94   1.521   8.633 -14.023
  555    HG3  GLU  94           HG3      GLU  94   0.866   7.026 -14.355
  556    H    MET  95           HN       MET  95  -0.636   9.781 -10.763
  557    HA   MET  95           HA       MET  95   2.153  10.025 -10.243
  558    HB2  MET  95           HB2      MET  95   0.738  11.973 -10.221
  559    HB3  MET  95           HB3      MET  95  -0.275  11.284  -8.959
  560    HG2  MET  95           HG2      MET  95   1.135  12.932  -7.978
  561    HG3  MET  95           HG3      MET  95   1.669  11.348  -7.429
  562    HE1  MET  95           HE3      MET  95   2.386  14.402  -9.722
  563    HE2  MET  95           HE1      MET  95   3.808  13.881 -10.629
  564    HE3  MET  95           HE2      MET  95   2.252  13.099 -10.896
  565    H    SER  96           HN       SER  96  -0.509   8.506  -8.628
  566    HA   SER  96           HA       SER  96   0.590   8.535  -6.002
  567    HG   SER  96           HG       SER  96  -2.575   6.217  -6.908
  568    HB2  SER  96           HB2      SER  96  -1.392   7.259  -5.422
  569    HB3  SER  96           HB3      SER  96  -1.832   8.561  -6.511
  570    H    LYS  97           HN       LYS  97   1.435   6.747  -8.598
  571    HA   LYS  97           HA       LYS  97   1.191   4.086  -7.791
  572    HB2  LYS  97           HB2      LYS  97   3.094   5.386  -9.744
  573    HB3  LYS  97           HB3      LYS  97   2.842   3.653  -9.609
  574    HG2  LYS  97           HG2      LYS  97   0.530   5.497 -10.082
  575    HG3  LYS  97           HG3      LYS  97   1.555   4.974 -11.418
  576    HD2  LYS  97           HD2      LYS  97   0.306   3.012  -9.516
  577    HD3  LYS  97           HD3      LYS  97  -0.552   3.603 -10.943
  578    HE2  LYS  97           HE2      LYS  97   1.326   2.832 -12.342
  579    HE3  LYS  97           HE3      LYS  97   2.113   2.183 -10.908
  580    HZ1  LYS  97           HZ3      LYS  97   0.193   0.707 -10.604
  581    HZ2  LYS  97           HZ1      LYS  97   0.970   0.440 -12.084
  582    HZ3  LYS  97           HZ2      LYS  97  -0.493   1.296 -12.034
  583    H    THR  98           HN       THR  98   3.717   6.445  -7.130
  584    HA   THR  98           HA       THR  98   5.439   4.396  -5.969
  585    HB   THR  98           HB       THR  98   6.882   6.569  -5.573
  586    HG1  THR  98           HG1      THR  98   6.351   8.228  -6.948
  587   HG21  THR  98          HG23      THR  98   7.435   4.699  -7.080
  588   HG22  THR  98          HG21      THR  98   7.859   6.257  -7.788
  589   HG23  THR  98          HG22      THR  98   6.406   5.410  -8.323
  590    H    PHE  99           HN       PHE  99   2.856   5.937  -4.898
  591    HA   PHE  99           HA       PHE  99   3.868   6.454  -2.193
  592    HD1  PHE  99           HD2      PHE  99   3.538   8.718  -1.186
  593    HD2  PHE  99           HD1      PHE  99   1.506   8.798  -4.925
  594    HE1  PHE  99           HE2      PHE  99   4.385  10.990  -1.590
  595    HE2  PHE  99           HE1      PHE  99   2.353  11.073  -5.340
  596    HZ   PHE  99           HZ       PHE  99   3.806  12.177  -3.628
  597    HB2  PHE  99           HB2      PHE  99   1.218   6.997  -3.553
  598    HB3  PHE  99           HB3      PHE  99   1.457   7.205  -1.820
  599    H    ILE 100           HN       ILE 100   2.482   4.072  -4.116
  600    HA   ILE 100           HA       ILE 100   0.963   2.696  -2.120
  601    HB   ILE 100           HB       ILE 100   2.057   1.470  -4.651
  602   HG12  ILE 100          HG12      ILE 100  -0.562   2.936  -4.314
  603   HG13  ILE 100          HG13      ILE 100   0.835   3.557  -5.193
  604   HG21  ILE 100          HG21      ILE 100   0.177  -0.034  -4.429
  605   HG22  ILE 100          HG22      ILE 100   1.118  -0.030  -2.935
  606   HG23  ILE 100          HG23      ILE 100  -0.405   0.861  -3.024
  607   HD11  ILE 100          HD13      ILE 100   0.657   1.710  -6.779
  608   HD12  ILE 100          HD11      ILE 100  -0.734   1.080  -5.893
  609   HD13  ILE 100          HD12      ILE 100  -0.841   2.642  -6.707
  610    H    ILE 101           HN       ILE 101   2.461   2.482  -0.404
  611    HA   ILE 101           HA       ILE 101   5.036   1.322  -0.742
  612    HB   ILE 101           HB       ILE 101   5.037   1.133   1.747
  613   HG12  ILE 101          HG12      ILE 101   2.311   2.425   1.505
  614   HG13  ILE 101          HG13      ILE 101   2.608   0.763   2.017
  615   HG21  ILE 101          HG21      ILE 101   4.219   3.831   0.672
  616   HG22  ILE 101          HG22      ILE 101   5.084   3.528   2.179
  617   HG23  ILE 101          HG23      ILE 101   5.849   3.156   0.634
  618   HD11  ILE 101          HD13      ILE 101   3.603   3.218   3.440
  619   HD12  ILE 101          HD11      ILE 101   2.186   2.271   3.900
  620   HD13  ILE 101          HD12      ILE 101   3.792   1.546   3.968
  621    H    GLY 102           HN       GLY 102   1.851   0.018  -0.235
  622    HA2  GLY 102           HA1      GLY 102   2.512  -2.544  -1.046
  623    HA3  GLY 102           HA2      GLY 102   2.653  -2.551   0.710
  624    H    GLU 103           HN       GLU 103   0.909  -4.025   0.872
  625    HA   GLU 103           HA       GLU 103  -1.675  -2.657   0.681
  626    HB2  GLU 103           HB2      GLU 103  -1.146  -5.485  -0.243
  627    HB3  GLU 103           HB3      GLU 103  -2.746  -4.780  -0.049
  628    HG2  GLU 103           HG2      GLU 103  -2.110  -3.047  -1.719
  629    HG3  GLU 103           HG3      GLU 103  -0.610  -3.931  -1.983
  630    H    LEU 104           HN       LEU 104  -3.339  -4.383   1.763
  631    HA   LEU 104           HA       LEU 104  -2.546  -4.460   4.501
  632    HG   LEU 104           HG       LEU 104  -4.619  -2.987   3.361
  633    HB2  LEU 104           HB2      LEU 104  -4.930  -5.609   3.078
  634    HB3  LEU 104           HB3      LEU 104  -4.732  -5.587   4.818
  635   HD11  LEU 104          HD11      LEU 104  -7.054  -2.786   3.504
  636   HD12  LEU 104          HD12      LEU 104  -6.584  -4.086   2.413
  637   HD13  LEU 104          HD13      LEU 104  -7.163  -4.464   4.034
  638   HD21  LEU 104          HD23      LEU 104  -5.614  -2.182   5.417
  639   HD22  LEU 104          HD21      LEU 104  -5.779  -3.839   6.011
  640   HD23  LEU 104          HD22      LEU 104  -4.177  -3.141   5.779
  641    H    HIS 105           HN       HIS 105  -2.809  -6.507   5.831
  642    HA   HIS 105           HA       HIS 105  -1.157  -8.597   4.833
  643    HD1  HIS 105           HD1      HIS 105  -1.442 -10.787   8.601
  644    HD2  HIS 105           HD2      HIS 105   0.842  -8.196   6.282
  645    HE1  HIS 105           HE1      HIS 105   0.950 -11.404   9.055
  646    HE2  HIS 105           HE2      HIS 105   2.300  -9.676   7.822
  647    HB2  HIS 105           HB2      HIS 105  -2.226  -7.829   7.333
  648    HB3  HIS 105           HB3      HIS 105  -2.837  -9.451   7.033
  649    HA   PRO 106           HA       PRO 106  -3.966 -11.403   2.792
  650    HB2  PRO 106           HB2      PRO 106  -3.519 -13.746   4.243
  651    HB3  PRO 106           HB3      PRO 106  -2.590 -13.201   2.841
  652    HG2  PRO 106           HG2      PRO 106  -1.977 -12.930   5.752
  653    HG3  PRO 106           HG3      PRO 106  -0.884 -13.260   4.393
  654    HD2  PRO 106           HD2      PRO 106  -1.008 -10.842   5.511
  655    HD3  PRO 106           HD3      PRO 106  -0.811 -11.031   3.754
  656    H    ASP 107           HN       ASP 107  -4.266 -10.664   6.056
  657    HA   ASP 107           HA       ASP 107  -6.698 -12.204   6.549
  658    HB2  ASP 107           HB2      ASP 107  -4.726 -12.050   8.171
  659    HB3  ASP 107           HB3      ASP 107  -5.189 -10.375   8.436
  660    H    ASP 108           HN       ASP 108  -5.540  -9.011   5.876
  661    HA   ASP 108           HA       ASP 108  -8.056  -7.697   6.688
  662    HB2  ASP 108           HB2      ASP 108  -5.515  -6.361   5.747
  663    HB3  ASP 108           HB3      ASP 108  -6.849  -5.636   6.635
  664    H    ARG 109           HN       ARG 109  -5.924  -8.371   4.085
  665    HA   ARG 109           HA       ARG 109  -6.656  -6.540   2.146
  666    HE   ARG 109           HE       ARG 109  -3.734  -6.952  -1.805
  667    HB2  ARG 109           HB2      ARG 109  -4.681  -8.189   2.142
  668    HB3  ARG 109           HB3      ARG 109  -5.816  -9.353   1.472
  669    HG2  ARG 109           HG2      ARG 109  -6.230  -7.788  -0.418
  670    HG3  ARG 109           HG3      ARG 109  -4.969  -6.736   0.227
  671    HD2  ARG 109           HD2      ARG 109  -3.426  -8.742   0.108
  672    HD3  ARG 109           HD3      ARG 109  -4.688  -9.541  -0.821
  673   HH11  ARG 109          HH12      ARG 109  -3.728 -10.442  -2.082
  674   HH12  ARG 109          HH11      ARG 109  -3.023 -10.450  -3.659
  675   HH21  ARG 109          HH22      ARG 109  -2.763  -6.960  -3.887
  676   HH22  ARG 109          HH21      ARG 109  -2.489  -8.474  -4.695
  677    HA   PRO 110           HA       PRO 110 -10.013  -9.399   0.514
  678    HB2  PRO 110           HB2      PRO 110 -10.695 -11.702   1.682
  679    HB3  PRO 110           HB3      PRO 110  -9.309 -11.598   0.590
  680    HG2  PRO 110           HG2      PRO 110  -9.366 -11.682   3.571
  681    HG3  PRO 110           HG3      PRO 110  -8.238 -12.462   2.453
  682    HD2  PRO 110           HD2      PRO 110  -7.743 -10.104   3.819
  683    HD3  PRO 110           HD3      PRO 110  -6.899 -10.619   2.346
  684    H    LYS 111           HN       LYS 111  -9.762  -9.192   3.981
  685    HA   LYS 111           HA       LYS 111 -11.099  -8.319   5.585
  686    HB2  LYS 111           HB2      LYS 111 -12.932  -7.655   3.286
  687    HB3  LYS 111           HB3      LYS 111 -13.282  -7.236   4.959
  688    HG2  LYS 111           HG2      LYS 111 -11.129  -5.958   4.997
  689    HG3  LYS 111           HG3      LYS 111 -10.995  -6.255   3.262
  690    HD2  LYS 111           HD2      LYS 111 -13.187  -5.173   2.924
  691    HD3  LYS 111           HD3      LYS 111 -13.257  -4.815   4.651
  692    HE2  LYS 111           HE2      LYS 111 -11.169  -3.494   4.404
  693    HE3  LYS 111           HE3      LYS 111 -11.228  -3.780   2.667
  694    HZ1  LYS 111           HZ3      LYS 111 -12.216  -1.691   2.965
  695    HZ2  LYS 111           HZ1      LYS 111 -13.094  -2.197   4.331
  696    HZ3  LYS 111           HZ2      LYS 111 -13.539  -2.743   2.797
  697    H    LEU 112           HN       LEU 112 -12.868 -10.313   3.247
  698    HA   LEU 112           HA       LEU 112 -14.878 -11.002   5.191
  699    HG   LEU 112           HG       LEU 112 -14.275 -13.519   2.600
  700    HB2  LEU 112           HB2      LEU 112 -16.084 -11.983   3.479
  701    HB3  LEU 112           HB3      LEU 112 -15.250 -10.669   2.682
  702   HD11  LEU 112          HD11      LEU 112 -16.041 -12.060   0.643
  703   HD12  LEU 112          HD12      LEU 112 -15.283 -13.629   0.363
  704   HD13  LEU 112          HD13      LEU 112 -16.486 -13.448   1.638
  705   HD21  LEU 112          HD23      LEU 112 -13.121 -12.693   0.542
  706   HD22  LEU 112          HD21      LEU 112 -13.603 -11.059   0.997
  707   HD23  LEU 112          HD22      LEU 112 -12.533 -11.988   2.049
  708    H    ASN 113           HN       ASN 113 -15.413 -13.641   4.311
  709    HA   ASN 113           HA       ASN 113 -14.647 -15.010   6.468
  710    HB2  ASN 113           HB2      ASN 113 -15.375 -15.997   3.746
  711    HB3  ASN 113           HB3      ASN 113 -14.983 -17.135   5.027
  712   HD21  ASN 113          HD21      ASN 113 -16.081 -15.428   7.135
  713   HD22  ASN 113          HD22      ASN 113 -17.802 -15.545   6.974
  714    H    LYS 114           HN       LYS 114 -12.743 -15.157   3.428
  715    HA   LYS 114           HA       LYS 114 -10.486 -15.447   3.169
  716    HB2  LYS 114           HB2      LYS 114  -9.875 -14.173   4.984
  717    HB3  LYS 114           HB3      LYS 114 -10.746 -15.180   6.123
  718    HG2  LYS 114           HG2      LYS 114  -8.941 -16.894   5.848
  719    HG3  LYS 114           HG3      LYS 114  -8.046 -15.690   4.904
  720    HD2  LYS 114           HD2      LYS 114  -8.021 -14.171   6.753
  721    HD3  LYS 114           HD3      LYS 114  -9.107 -15.202   7.684
  722    HE2  LYS 114           HE2      LYS 114  -7.312 -16.968   7.583
  723    HE3  LYS 114           HE3      LYS 114  -6.241 -15.719   6.944
  724    HZ1  LYS 114           HZ3      LYS 114  -6.805 -14.385   8.955
  725    HZ2  LYS 114           HZ1      LYS 114  -5.936 -15.806   9.286
  726    HZ3  LYS 114           HZ2      LYS 114  -7.608 -15.742   9.577
  727    HA   PRO 115           HA       PRO 115 -10.071 -19.840   2.752
  728    HB2  PRO 115           HB2      PRO 115  -7.159 -19.357   3.055
  729    HB3  PRO 115           HB3      PRO 115  -8.032 -20.186   1.763
  730    HG2  PRO 115           HG2      PRO 115  -7.047 -17.752   1.374
  731    HG3  PRO 115           HG3      PRO 115  -8.633 -18.202   0.720
  732    HD2  PRO 115           HD2      PRO 115  -7.969 -16.544   3.123
  733    HD3  PRO 115           HD3      PRO 115  -9.255 -16.320   1.917
  734    HA   PRO 116           HA       PRO 116 -10.005 -21.243   6.977
  735    HB2  PRO 116           HB2      PRO 116  -9.585 -23.845   5.577
  736    HB3  PRO 116           HB3      PRO 116 -10.764 -23.410   6.819
  737    HG2  PRO 116           HG2      PRO 116 -11.517 -23.633   4.287
  738    HG3  PRO 116           HG3      PRO 116 -12.165 -22.341   5.312
  739    HD2  PRO 116           HD2      PRO 116 -10.093 -22.193   3.165
  740    HD3  PRO 116           HD3      PRO 116 -11.348 -21.020   3.611
  741    H    GLU 117           HN       GLU 117  -7.815 -23.072   4.821
  742    HA   GLU 117           HA       GLU 117  -5.788 -22.937   6.950
  743    HB2  GLU 117           HB2      GLU 117  -6.219 -25.124   4.905
  744    HB3  GLU 117           HB3      GLU 117  -4.904 -25.075   6.067
  745    HG2  GLU 117           HG2      GLU 117  -7.814 -25.174   6.808
  746    HG3  GLU 117           HG3      GLU 117  -6.758 -26.579   6.708
  747    H    THR 118           HN       THR 118  -3.546 -23.122   6.219
  748    HA   THR 118           HA       THR 118  -3.081 -22.211   3.479
  749    HB   THR 118           HB       THR 118  -2.941 -20.237   4.984
  750    HG1  THR 118           HG1      THR 118  -1.620 -20.104   3.208
  751   HG21  THR 118          HG23      THR 118  -1.112 -20.062   6.594
  752   HG22  THR 118          HG21      THR 118  -0.668 -21.736   6.273
  753   HG23  THR 118          HG22      THR 118  -2.216 -21.369   7.020
  754    H    LEU 119           HN       LEU 119  -0.332 -22.212   3.465
  755    HA   LEU 119           HA       LEU 119   0.318 -24.923   4.410
  756    HG   LEU 119           HG       LEU 119   2.918 -25.409   2.931
  757    HB2  LEU 119           HB2      LEU 119   0.183 -24.621   1.907
  758    HB3  LEU 119           HB3      LEU 119   1.569 -23.554   2.029
  759   HD11  LEU 119          HD11      LEU 119   1.975 -27.719   2.761
  760   HD12  LEU 119          HD12      LEU 119   1.253 -26.725   4.029
  761   HD13  LEU 119          HD13      LEU 119   0.385 -26.992   2.519
  762   HD21  LEU 119          HD23      LEU 119   3.005 -26.760   0.857
  763   HD22  LEU 119          HD21      LEU 119   1.519 -25.981   0.318
  764   HD23  LEU 119          HD22      LEU 119   2.986 -25.025   0.552
  765    H    ILE 120           HN       ILE 120   2.814 -22.993   3.007
  766    HA   ILE 120           HA       ILE 120   3.823 -22.320   5.692
  767    HB   ILE 120           HB       ILE 120   5.591 -22.671   3.275
  768   HG12  ILE 120          HG12      ILE 120   4.442 -24.818   3.687
  769   HG13  ILE 120          HG13      ILE 120   6.160 -24.912   4.061
  770   HG21  ILE 120          HG21      ILE 120   7.344 -22.971   4.984
  771   HG22  ILE 120          HG22      ILE 120   6.548 -21.399   5.097
  772   HG23  ILE 120          HG23      ILE 120   6.135 -22.677   6.238
  773   HD11  ILE 120          HD13      ILE 120   5.698 -24.775   6.422
  774   HD12  ILE 120          HD11      ILE 120   3.979 -24.543   6.104
  775   HD13  ILE 120          HD12      ILE 120   4.753 -26.076   5.704
  776    H    THR 121           HN       THR 121   2.552 -20.350   5.470
  777    HA   THR 121           HA       THR 121   3.200 -18.540   3.317
  778    HB   THR 121           HB       THR 121   1.686 -17.168   5.234
  779    HG1  THR 121           HG1      THR 121   0.231 -19.497   4.904
  780   HG21  THR 121          HG23      THR 121  -0.148 -17.469   3.610
  781   HG22  THR 121          HG21      THR 121   0.802 -18.704   2.781
  782   HG23  THR 121          HG22      THR 121   1.366 -17.031   2.823
  783    H    THR 122           HN       THR 122   4.119 -19.030   6.620
  784    HA   THR 122           HA       THR 122   5.113 -16.336   6.953
  785    HB   THR 122           HB       THR 122   5.878 -17.330   9.210
  786    HG1  THR 122           HG1      THR 122   5.718 -19.474   9.038
  787   HG21  THR 122          HG23      THR 122   3.628 -17.130  10.137
  788   HG22  THR 122          HG21      THR 122   2.929 -17.299   8.524
  789   HG23  THR 122          HG22      THR 122   3.903 -15.880   8.918
  790    H    ILE 123           HN       ILE 123   6.507 -17.164   4.899
  791    HA   ILE 123           HA       ILE 123   9.086 -18.153   5.888
  792    HB   ILE 123           HB       ILE 123   8.342 -17.592   3.008
  793   HG12  ILE 123          HG12      ILE 123   8.248 -20.202   4.533
  794   HG13  ILE 123          HG13      ILE 123   6.852 -19.308   3.933
  795   HG21  ILE 123          HG21      ILE 123  10.255 -19.056   2.510
  796   HG22  ILE 123          HG22      ILE 123  10.740 -17.641   3.445
  797   HG23  ILE 123          HG23      ILE 123  10.577 -19.210   4.238
  798   HD11  ILE 123          HD13      ILE 123   9.000 -20.577   2.246
  799   HD12  ILE 123          HD11      ILE 123   7.372 -21.203   2.503
  800   HD13  ILE 123          HD12      ILE 123   7.608 -19.682   1.638
  801    H    ASP 124           HN       ASP 124   8.949 -15.961   7.056
  802    HA   ASP 124           HA       ASP 124   9.543 -13.600   5.563
  803    HB2  ASP 124           HB2      ASP 124   8.535 -13.538   7.833
  804    HB3  ASP 124           HB3      ASP 124  10.029 -14.190   8.498
  805    H    SER 125           HN       SER 125  11.525 -15.392   7.898
  806    HA   SER 125           HA       SER 125  13.909 -14.683   6.332
  807    HG   SER 125           HG       SER 125  12.532 -15.474   9.550
  808    HB2  SER 125           HB2      SER 125  15.147 -15.278   8.416
  809    HB3  SER 125           HB3      SER 125  14.000 -13.954   8.636
  810    H    SER 126           HN       SER 126  12.283 -17.400   7.894
  811    HA   SER 126           HA       SER 126  13.329 -19.293   6.008
  812    HG   SER 126           HG       SER 126  14.880 -18.479   9.359
  813    HB2  SER 126           HB2      SER 126  14.411 -20.719   7.802
  814    HB3  SER 126           HB3      SER 126  15.283 -19.240   7.413
  815    H    SER 127           HN       SER 127  12.436 -19.684   9.392
  816    HA   SER 127           HA       SER 127   9.805 -20.698   8.560
  817    HG   SER 127           HG       SER 127  12.409 -21.060  10.709
  818    HB2  SER 127           HB2      SER 127  10.030 -22.263  10.600
  819    HB3  SER 127           HB3      SER 127  10.942 -22.686   9.152
  820    H    SER 128           HN       SER 128  11.002 -18.150   9.581
  821    HA   SER 128           HA       SER 128   8.945 -17.577  11.539
  822    HG   SER 128           HG       SER 128   9.665 -15.746  12.958
  823    HB2  SER 128           HB2      SER 128  11.022 -18.132  12.856
  824    HB3  SER 128           HB3      SER 128  11.845 -16.818  12.024
  825    HHA  HEM 129           HHA      HEM 129  -6.155  17.451  -6.469
  826    HHB  HEM 129           HHB      HEM 129  -2.130  12.450  -5.928
  827    HHC  HEM 129           HHC      HEM 129  -5.380  10.407  -0.815
  828    HHD  HEM 129           HHD      HEM 129  -9.445  15.407  -1.341
  829    HAB  HEM 129           HAB      HEM 129  -2.536   9.777  -0.646
  830    HAC  HEM 129           HAC      HEM 129 -10.481  13.667   0.134
  831   HMA1  HEM 129          HMA1      HEM 129  -1.628  15.423  -8.362
  832   HMA2  HEM 129          HMA2      HEM 129  -0.937  14.718  -6.902
  833   HMA3  HEM 129          HMA3      HEM 129  -1.781  13.695  -8.068
  834   HAA1  HEM 129          HAA1      HEM 129  -5.015  17.511  -8.134
  835   HAA2  HEM 129          HAA2      HEM 129  -3.793  17.769  -7.306
  836   HBA1  HEM 129          HBA1      HEM 129  -1.988  16.879  -8.622
  837   HBA2  HEM 129          HBA2      HEM 129  -2.604  18.546  -8.539
  838   HMB1  HEM 129          HMB1      HEM 129  -0.435  10.681  -3.882
  839   HMB2  HEM 129          HMB2      HEM 129  -1.498   9.734  -5.119
  840   HMB3  HEM 129          HMB3      HEM 129  -1.426   9.600  -3.599
  841   HBB1  HEM 129          HBB1      HEM 129  -3.462   7.942  -2.892
  842   HBB2  HEM 129          HBB2      HEM 129  -2.590   7.483  -1.302
  843   HMC1  HEM 129          HMC1      HEM 129  -8.044  10.046   0.494
  844   HMC2  HEM 129          HMC2      HEM 129  -6.468  10.606   1.072
  845   HMC3  HEM 129          HMC3      HEM 129  -8.000  11.263   1.750
  846   HBC1  HEM 129          HBC1      HEM 129 -10.393  13.555   2.501
  847   HBC2  HEM 129          HBC2      HEM 129  -8.615  13.052   2.472
  848   HMD1  HEM 129          HMD1      HEM 129 -10.430  17.216  -1.934
  849   HMD2  HEM 129          HMD2      HEM 129 -10.586  18.396  -3.380
  850   HMD3  HEM 129          HMD3      HEM 129  -9.426  18.248  -2.425
  851   HAD1  HEM 129          HAD1      HEM 129  -9.189  18.007  -6.582
  852   HAD2  HEM 129          HAD2      HEM 129  -9.593  18.423  -5.184
  853   HBD1  HEM 129          HBD1      HEM 129  -8.384  20.320  -6.486
  854   HBD2  HEM 129          HBD2      HEM 129  -7.482  20.003  -4.992
  Start of MODEL    3
    1    HA   MET  21           HA       MET  21  12.634   0.879   0.367
    2    H1   MET  21           1H       MET  21  10.093   1.536   1.261
    3    HB2  MET  21           HB2      MET  21  12.310  -1.039   2.017
    4    HB3  MET  21           HB3      MET  21  10.973  -1.576   1.011
    5    HG2  MET  21           HG2      MET  21  12.448  -1.956  -0.838
    6    HG3  MET  21           HG3      MET  21  13.808  -1.283   0.055
    7    HE1  MET  21           HE3      MET  21  11.693  -5.229   1.236
    8    HE2  MET  21           HE1      MET  21  10.956  -3.636   1.422
    9    HE3  MET  21           HE2      MET  21  11.243  -4.290  -0.190
   10    H    ALA  22           HN       ALA  22  12.250  -0.535  -1.797
   11    HA   ALA  22           HA       ALA  22   9.603   0.213  -2.841
   12    HB1  ALA  22           HB3      ALA  22  12.225   0.425  -4.325
   13    HB2  ALA  22           HB1      ALA  22  10.628   0.734  -5.007
   14    HB3  ALA  22           HB2      ALA  22  11.254   1.770  -3.724
   15    H    GLU  23           HN       GLU  23   8.556  -1.700  -3.034
   16    HA   GLU  23           HA       GLU  23   9.996  -4.004  -4.041
   17    HB2  GLU  23           HB2      GLU  23   7.731  -5.132  -3.911
   18    HB3  GLU  23           HB3      GLU  23   8.419  -4.596  -2.387
   19    HG2  GLU  23           HG2      GLU  23   6.951  -2.669  -2.361
   20    HG3  GLU  23           HG3      GLU  23   6.309  -3.109  -3.946
   21    H    GLN  24           HN       GLN  24   7.090  -2.195  -5.032
   22    HA   GLN  24           HA       GLN  24   6.633  -1.115  -6.967
   23    HB2  GLN  24           HB2      GLN  24   8.971  -0.442  -6.877
   24    HB3  GLN  24           HB3      GLN  24   9.447  -1.914  -7.706
   25    HG2  GLN  24           HG2      GLN  24   8.178  -1.194  -9.673
   26    HG3  GLN  24           HG3      GLN  24   7.740   0.291  -8.829
   27   HE21  GLN  24          HE21      GLN  24   8.764   1.587 -10.371
   28   HE22  GLN  24          HE22      GLN  24  10.485   1.686 -10.497
   29    H    SER  25           HN       SER  25   8.629  -3.848  -8.062
   30    HA   SER  25           HA       SER  25   6.469  -4.595  -9.933
   31    HG   SER  25           HG       SER  25   9.432  -3.143 -11.552
   32    HB2  SER  25           HB2      SER  25   9.460  -4.927 -10.312
   33    HB3  SER  25           HB3      SER  25   8.211  -5.255 -11.508
   34    H    ASP  26           HN       ASP  26   8.015  -5.485  -7.185
   35    HA   ASP  26           HA       ASP  26   8.654  -8.218  -7.843
   36    HB2  ASP  26           HB2      ASP  26   9.633  -6.486  -5.992
   37    HB3  ASP  26           HB3      ASP  26   8.546  -7.453  -4.998
   38    H    GLU  27           HN       GLU  27   7.519 -10.014  -7.358
   39    HA   GLU  27           HA       GLU  27   4.778  -9.803  -7.648
   40    HB2  GLU  27           HB2      GLU  27   6.291 -11.740  -8.236
   41    HB3  GLU  27           HB3      GLU  27   6.195 -12.222  -6.548
   42    HG2  GLU  27           HG2      GLU  27   3.820 -12.553  -6.723
   43    HG3  GLU  27           HG3      GLU  27   3.819 -11.914  -8.368
   44    H    ALA  28           HN       ALA  28   6.516 -10.875  -4.716
   45    HA   ALA  28           HA       ALA  28   4.067 -11.162  -3.238
   46    HB1  ALA  28           HB3      ALA  28   5.447 -11.861  -1.406
   47    HB2  ALA  28           HB1      ALA  28   6.036 -12.611  -2.889
   48    HB3  ALA  28           HB2      ALA  28   6.887 -11.228  -2.199
   49    H    VAL  29           HN       VAL  29   3.160  -9.153  -3.290
   50    HA   VAL  29           HA       VAL  29   4.158  -6.715  -2.476
   51    HB   VAL  29           HB       VAL  29   1.375  -7.811  -1.963
   52   HG11  VAL  29          HG11      VAL  29   1.816  -5.790  -0.664
   53   HG12  VAL  29          HG12      VAL  29   2.340  -4.956  -2.125
   54   HG13  VAL  29          HG13      VAL  29   0.663  -5.471  -1.959
   55   HG21  VAL  29          HG23      VAL  29   2.389  -6.197  -4.304
   56   HG22  VAL  29          HG21      VAL  29   2.105  -7.937  -4.327
   57   HG23  VAL  29          HG22      VAL  29   0.758  -6.826  -4.077
   58    H    LYS  30           HN       LYS  30   4.845  -5.893  -0.579
   59    HA   LYS  30           HA       LYS  30   4.748  -7.407   1.823
   60    HB2  LYS  30           HB2      LYS  30   6.522  -5.815   1.540
   61    HB3  LYS  30           HB3      LYS  30   5.386  -4.496   1.311
   62    HG2  LYS  30           HG2      LYS  30   6.336  -4.303   3.484
   63    HG3  LYS  30           HG3      LYS  30   4.657  -4.806   3.676
   64    HD2  LYS  30           HD2      LYS  30   5.420  -7.136   3.970
   65    HD3  LYS  30           HD3      LYS  30   7.092  -6.585   3.833
   66    HE2  LYS  30           HE2      LYS  30   6.738  -5.133   5.801
   67    HE3  LYS  30           HE3      LYS  30   5.106  -5.783   5.961
   68    HZ1  LYS  30           HZ3      LYS  30   7.685  -7.184   6.349
   69    HZ2  LYS  30           HZ1      LYS  30   6.234  -8.034   6.109
   70    HZ3  LYS  30           HZ2      LYS  30   6.404  -7.005   7.445
   71    H    TYR  31           HN       TYR  31   3.293  -7.408   3.461
   72    HA   TYR  31           HA       TYR  31   0.909  -5.742   3.056
   73    HD1  TYR  31           HD2      TYR  31  -0.488  -7.249   1.426
   74    HD2  TYR  31           HD1      TYR  31   1.747 -10.154   3.594
   75    HE1  TYR  31           HE2      TYR  31  -0.503  -8.721  -0.544
   76    HE2  TYR  31           HE1      TYR  31   1.744 -11.634   1.634
   77    HH   TYR  31           HH       TYR  31   0.875 -10.594  -1.452
   78    HB2  TYR  31           HB2      TYR  31   1.027  -8.268   4.692
   79    HB3  TYR  31           HB3      TYR  31  -0.396  -7.435   4.082
   80    H    TYR  32           HN       TYR  32   0.073  -4.545   4.736
   81    HA   TYR  32           HA       TYR  32   1.512  -4.656   7.315
   82    HD1  TYR  32           HD1      TYR  32   3.083  -2.279   7.990
   83    HD2  TYR  32           HD2      TYR  32   1.239  -1.928   4.173
   84    HE1  TYR  32           HE1      TYR  32   5.149  -1.284   7.088
   85    HE2  TYR  32           HE2      TYR  32   3.302  -0.954   3.262
   86    HH   TYR  32           HH       TYR  32   5.268   0.066   3.861
   87    HB2  TYR  32           HB2      TYR  32  -0.078  -2.394   6.083
   88    HB3  TYR  32           HB3      TYR  32   0.601  -2.361   7.703
   89    H    THR  33           HN       THR  33   0.287  -4.990   9.176
   90    HA   THR  33           HA       THR  33  -2.340  -6.076   8.873
   91    HB   THR  33           HB       THR  33  -2.403  -5.788  11.421
   92    HG1  THR  33           HG1      THR  33   0.358  -5.217  10.976
   93   HG21  THR  33          HG23      THR  33  -0.903  -7.675  11.824
   94   HG22  THR  33          HG21      THR  33  -0.161  -7.431  10.243
   95   HG23  THR  33          HG22      THR  33  -1.849  -7.929  10.355
   96    H    LEU  34           HN       LEU  34  -4.288  -5.176  10.026
   97    HA   LEU  34           HA       LEU  34  -4.940  -2.532   9.628
   98    HG   LEU  34           HG       LEU  34  -6.987  -1.749  10.954
   99    HB2  LEU  34           HB2      LEU  34  -6.528  -4.247  10.358
  100    HB3  LEU  34           HB3      LEU  34  -5.760  -4.317  11.927
  101   HD11  LEU  34          HD11      LEU  34  -8.428  -4.001  12.348
  102   HD12  LEU  34          HD12      LEU  34  -9.066  -2.382  12.055
  103   HD13  LEU  34          HD13      LEU  34  -8.716  -3.449  10.696
  104   HD21  LEU  34          HD23      LEU  34  -5.607  -1.638  12.912
  105   HD22  LEU  34          HD21      LEU  34  -7.298  -1.414  13.366
  106   HD23  LEU  34          HD22      LEU  34  -6.505  -2.959  13.665
  107    H    GLU  35           HN       GLU  35  -3.224  -4.034  12.235
  108    HA   GLU  35           HA       GLU  35  -3.067  -2.000  14.111
  109    HB2  GLU  35           HB2      GLU  35  -0.986  -4.124  13.592
  110    HB3  GLU  35           HB3      GLU  35  -1.291  -3.290  15.106
  111    HG2  GLU  35           HG2      GLU  35  -3.498  -4.342  15.233
  112    HG3  GLU  35           HG3      GLU  35  -3.168  -5.202  13.730
  113    H    GLU  36           HN       GLU  36  -0.940  -2.753  11.414
  114    HA   GLU  36           HA       GLU  36   1.117  -0.910  12.204
  115    HB2  GLU  36           HB2      GLU  36   0.693  -2.594   9.726
  116    HB3  GLU  36           HB3      GLU  36   2.110  -1.577   9.974
  117    HG2  GLU  36           HG2      GLU  36   2.825  -2.860  11.815
  118    HG3  GLU  36           HG3      GLU  36   1.284  -3.705  11.919
  119    H    ILE  37           HN       ILE  37  -1.690  -0.794  10.196
  120    HA   ILE  37           HA       ILE  37  -0.784   1.614   8.808
  121    HB   ILE  37           HB       ILE  37  -3.299  -0.040   8.442
  122   HG12  ILE  37          HG12      ILE  37  -0.816   0.242   6.731
  123   HG13  ILE  37          HG13      ILE  37  -1.242  -1.166   7.700
  124   HG21  ILE  37          HG21      ILE  37  -3.690   2.318   7.917
  125   HG22  ILE  37          HG22      ILE  37  -2.323   2.301   6.807
  126   HG23  ILE  37          HG23      ILE  37  -3.751   1.313   6.472
  127   HD11  ILE  37          HD13      ILE  37  -3.212  -1.524   6.287
  128   HD12  ILE  37          HD11      ILE  37  -2.768  -0.114   5.328
  129   HD13  ILE  37          HD12      ILE  37  -1.720  -1.531   5.348
  130    H    GLN  38           HN       GLN  38  -3.086   0.527  11.193
  131    HA   GLN  38           HA       GLN  38  -4.679   2.861  11.411
  132    HB2  GLN  38           HB2      GLN  38  -4.948   0.400  12.342
  133    HB3  GLN  38           HB3      GLN  38  -4.143   1.075  13.749
  134    HG2  GLN  38           HG2      GLN  38  -6.570   1.090  13.978
  135    HG3  GLN  38           HG3      GLN  38  -5.894   2.720  14.008
  136   HE21  GLN  38          HE21      GLN  38  -6.253   4.088  12.248
  137   HE22  GLN  38          HE22      GLN  38  -7.512   3.788  11.104
  138    H    LYS  39           HN       LYS  39  -1.583   1.983  12.562
  139    HA   LYS  39           HA       LYS  39  -1.457   3.904  14.714
  140    HB2  LYS  39           HB2      LYS  39  -0.238   1.557  14.352
  141    HB3  LYS  39           HB3      LYS  39   0.970   2.593  13.603
  142    HG2  LYS  39           HG2      LYS  39   1.231   3.859  15.631
  143    HG3  LYS  39           HG3      LYS  39  -0.095   2.981  16.389
  144    HD2  LYS  39           HD2      LYS  39   1.842   1.981  17.262
  145    HD3  LYS  39           HD3      LYS  39   1.312   0.874  15.995
  146    HE2  LYS  39           HE2      LYS  39   2.954   1.858  14.461
  147    HE3  LYS  39           HE3      LYS  39   3.478   2.959  15.735
  148    HZ1  LYS  39           HZ3      LYS  39   3.985   0.876  17.058
  149    HZ2  LYS  39           HZ1      LYS  39   5.011   1.208  15.750
  150    HZ3  LYS  39           HZ2      LYS  39   3.814   0.019  15.605
  151    H    HIS  40           HN       HIS  40  -1.425   4.236  11.500
  152    HA   HIS  40           HA       HIS  40   0.570   6.412  11.476
  153    HD1  HIS  40           HD1      HIS  40   2.045   2.489   9.674
  154    HD2  HIS  40           HD2      HIS  40   2.862   5.988  11.734
  155    HE1  HIS  40           HE1      HIS  40   4.221   2.081  10.859
  156    HE2  HIS  40           HE2      HIS  40   4.832   4.326  11.813
  157    HB2  HIS  40           HB2      HIS  40   0.187   4.148   9.516
  158    HB3  HIS  40           HB3      HIS  40   1.036   5.631   9.080
  159    H    ASN  41           HN       ASN  41  -2.102   6.824  11.940
  160    HA   ASN  41           HA       ASN  41  -3.162   7.808   9.361
  161    HB2  ASN  41           HB2      ASN  41  -5.353   7.501  10.177
  162    HB3  ASN  41           HB3      ASN  41  -4.476   6.060  10.675
  163   HD21  ASN  41          HD21      ASN  41  -6.843   7.731  11.675
  164   HD22  ASN  41          HD22      ASN  41  -6.558   7.868  13.376
  165    H    HIS  42           HN       HIS  42  -1.294   9.224  11.184
  166    HA   HIS  42           HA       HIS  42  -2.878  11.579  11.844
  167    HD1  HIS  42           HD1      HIS  42   0.474   9.999  13.097
  168    HD2  HIS  42           HD2      HIS  42  -2.481   8.273  15.452
  169    HE1  HIS  42           HE1      HIS  42   1.540   7.980  14.129
  170    HE2  HIS  42           HE2      HIS  42  -0.328   6.846  15.380
  171    HB2  HIS  42           HB2      HIS  42  -1.955  11.546  14.219
  172    HB3  HIS  42           HB3      HIS  42  -3.219  10.369  13.863
  173    H    SER  43           HN       SER  43  -1.282  13.152  13.131
  174    HA   SER  43           HA       SER  43   0.371  14.411  11.520
  175    HG   SER  43           HG       SER  43  -0.603  15.944  13.846
  176    HB2  SER  43           HB2      SER  43   1.221  13.938  14.375
  177    HB3  SER  43           HB3      SER  43   1.391  15.408  13.408
  178    H    LYS  44           HN       LYS  44   1.588  11.900  13.677
  179    HA   LYS  44           HA       LYS  44   4.281  12.007  13.106
  180    HB2  LYS  44           HB2      LYS  44   2.637   9.604  13.906
  181    HB3  LYS  44           HB3      LYS  44   4.388   9.706  14.010
  182    HG2  LYS  44           HG2      LYS  44   4.213  11.502  15.633
  183    HG3  LYS  44           HG3      LYS  44   2.453  11.478  15.488
  184    HD2  LYS  44           HD2      LYS  44   2.404   9.189  16.333
  185    HD3  LYS  44           HD3      LYS  44   4.163   9.183  16.455
  186    HE2  LYS  44           HE2      LYS  44   4.067  10.982  18.096
  187    HE3  LYS  44           HE3      LYS  44   2.310  11.031  17.957
  188    HZ1  LYS  44           HZ3      LYS  44   3.897   8.714  18.928
  189    HZ2  LYS  44           HZ1      LYS  44   2.206   8.777  18.817
  190    HZ3  LYS  44           HZ2      LYS  44   3.017   9.791  19.904
  191    H    SER  45           HN       SER  45   1.779  10.553  11.210
  192    HA   SER  45           HA       SER  45   3.309  10.125   8.931
  193    HG   SER  45           HG       SER  45   3.991   8.343   7.953
  194    HB2  SER  45           HB2      SER  45   4.206   8.237  10.493
  195    HB3  SER  45           HB3      SER  45   2.641   7.485  10.229
  196    H    THR  46           HN       THR  46   1.865   9.919   7.257
  197    HA   THR  46           HA       THR  46  -0.901   9.337   8.054
  198    HB   THR  46           HB       THR  46   0.046  11.334   5.982
  199    HG1  THR  46           HG1      THR  46   0.211  12.351   7.884
  200   HG21  THR  46          HG23      THR  46  -2.765  10.628   6.850
  201   HG22  THR  46          HG21      THR  46  -2.060  10.307   5.267
  202   HG23  THR  46          HG22      THR  46  -2.327  11.969   5.794
  203    H    TRP  47           HN       TRP  47  -1.354   7.365   7.360
  204    HA   TRP  47           HA       TRP  47  -0.849   6.782   4.518
  205    HD1  TRP  47           HD1      TRP  47   1.409   6.821   5.307
  206    HE1  TRP  47           HE1      TRP  47   3.699   5.764   5.815
  207    HE3  TRP  47           HE3      TRP  47  -0.179   2.279   7.026
  208    HZ2  TRP  47           HZ2      TRP  47   4.691   3.309   6.818
  209    HZ3  TRP  47           HZ3      TRP  47   1.510   0.634   7.734
  210    HH2  TRP  47           HH2      TRP  47   3.892   1.144   7.628
  211    HB2  TRP  47           HB2      TRP  47  -1.322   4.824   6.786
  212    HB3  TRP  47           HB3      TRP  47  -1.173   4.391   5.092
  213    H    LEU  48           HN       LEU  48  -2.588   5.463   3.493
  214    HA   LEU  48           HA       LEU  48  -5.065   5.160   4.932
  215    HG   LEU  48           HG       LEU  48  -4.835   5.928   1.372
  216    HB2  LEU  48           HB2      LEU  48  -6.528   6.255   3.415
  217    HB3  LEU  48           HB3      LEU  48  -5.317   7.424   3.899
  218   HD11  LEU  48          HD11      LEU  48  -7.227   6.527   1.265
  219   HD12  LEU  48          HD12      LEU  48  -6.798   8.211   1.576
  220   HD13  LEU  48          HD13      LEU  48  -6.254   7.418   0.096
  221   HD21  LEU  48          HD23      LEU  48  -4.428   8.781   2.262
  222   HD22  LEU  48          HD21      LEU  48  -3.192   7.526   2.142
  223   HD23  LEU  48          HD22      LEU  48  -3.976   8.135   0.684
  224    H    ILE  49           HN       ILE  49  -6.725   4.056   3.286
  225    HA   ILE  49           HA       ILE  49  -5.160   2.278   1.532
  226    HB   ILE  49           HB       ILE  49  -7.507   1.540   3.283
  227   HG12  ILE  49          HG12      ILE  49  -4.641   0.561   3.161
  228   HG13  ILE  49          HG13      ILE  49  -5.313   1.637   4.385
  229   HG21  ILE  49          HG21      ILE  49  -7.777   0.476   1.117
  230   HG22  ILE  49          HG22      ILE  49  -6.108  -0.094   1.168
  231   HG23  ILE  49          HG23      ILE  49  -7.287  -0.722   2.317
  232   HD11  ILE  49          HD13      ILE  49  -5.108  -0.651   5.190
  233   HD12  ILE  49          HD11      ILE  49  -6.785  -0.110   5.162
  234   HD13  ILE  49          HD12      ILE  49  -6.187  -1.198   3.907
  235    H    LEU  50           HN       LEU  50  -5.655   2.456  -0.489
  236    HA   LEU  50           HA       LEU  50  -8.412   3.182  -1.261
  237    HG   LEU  50           HG       LEU  50  -6.469   5.565  -0.841
  238    HB2  LEU  50           HB2      LEU  50  -5.792   3.942  -2.546
  239    HB3  LEU  50           HB3      LEU  50  -7.337   4.117  -3.354
  240   HD11  LEU  50          HD11      LEU  50  -6.533   7.539  -2.253
  241   HD12  LEU  50          HD12      LEU  50  -5.410   6.350  -2.912
  242   HD13  LEU  50          HD13      LEU  50  -7.004   6.552  -3.637
  243   HD21  LEU  50          HD23      LEU  50  -8.564   6.741  -0.986
  244   HD22  LEU  50          HD21      LEU  50  -9.018   5.830  -2.427
  245   HD23  LEU  50          HD22      LEU  50  -8.880   5.011  -0.871
  246    H    HIS  51           HN       HIS  51  -9.238   1.203  -1.765
  247    HA   HIS  51           HA       HIS  51  -9.584  -0.743  -2.896
  248    HD1  HIS  51           HD1      HIS  51 -10.605  -0.654  -6.525
  249    HD2  HIS  51           HD2      HIS  51  -9.859   2.695  -4.171
  250    HE1  HIS  51           HE1      HIS  51 -12.420   0.994  -7.090
  251    HE2  HIS  51           HE2      HIS  51 -11.950   3.028  -5.676
  252    HB2  HIS  51           HB2      HIS  51  -7.740   0.608  -4.881
  253    HB3  HIS  51           HB3      HIS  51  -8.551  -0.918  -5.197
  254    H    HIS  52           HN       HIS  52  -8.281  -1.512  -0.963
  255    HA   HIS  52           HA       HIS  52  -6.921  -3.089  -0.088
  256    HD1  HIS  52           HD1      HIS  52  -7.079  -4.919  -4.438
  257    HD2  HIS  52           HD2      HIS  52  -8.644  -4.981  -0.577
  258    HE1  HIS  52           HE1      HIS  52  -9.172  -6.311  -4.568
  259    HE2  HIS  52           HE2      HIS  52 -10.136  -6.291  -2.242
  260    HB2  HIS  52           HB2      HIS  52  -5.795  -3.453  -2.857
  261    HB3  HIS  52           HB3      HIS  52  -5.555  -4.505  -1.485
  262    H    LYS  53           HN       LYS  53  -5.215  -1.059  -2.472
  263    HA   LYS  53           HA       LYS  53  -2.650  -1.464  -1.375
  264    HB2  LYS  53           HB2      LYS  53  -3.617   0.829  -3.071
  265    HB3  LYS  53           HB3      LYS  53  -1.938   0.421  -2.753
  266    HG2  LYS  53           HG2      LYS  53  -3.921  -1.320  -4.199
  267    HG3  LYS  53           HG3      LYS  53  -2.673  -0.332  -4.946
  268    HD2  LYS  53           HD2      LYS  53  -0.970  -1.635  -3.681
  269    HD3  LYS  53           HD3      LYS  53  -2.271  -2.695  -3.131
  270    HE2  LYS  53           HE2      LYS  53  -2.803  -3.195  -5.506
  271    HE3  LYS  53           HE3      LYS  53  -1.406  -2.230  -5.986
  272    HZ1  LYS  53           HZ3      LYS  53  -0.002  -3.764  -4.701
  273    HZ2  LYS  53           HZ1      LYS  53  -0.830  -4.552  -5.953
  274    HZ3  LYS  53           HZ2      LYS  53  -1.363  -4.709  -4.345
  275    H    VAL  54           HN       VAL  54  -1.460  -0.407   0.101
  276    HA   VAL  54           HA       VAL  54  -2.734   1.792   1.567
  277    HB   VAL  54           HB       VAL  54  -1.949  -0.054   2.975
  278   HG11  VAL  54          HG11      VAL  54   0.424  -0.555   3.239
  279   HG12  VAL  54          HG12      VAL  54  -0.153  -0.930   1.615
  280   HG13  VAL  54          HG13      VAL  54   0.798   0.528   1.899
  281   HG21  VAL  54          HG23      VAL  54  -0.196   2.370   3.343
  282   HG22  VAL  54          HG21      VAL  54  -1.878   2.251   3.856
  283   HG23  VAL  54          HG22      VAL  54  -0.655   1.209   4.586
  284    H    TYR  55           HN       TYR  55  -1.825   3.802   1.612
  285    HA   TYR  55           HA       TYR  55   0.511   4.177  -0.139
  286    HD1  TYR  55           HD2      TYR  55  -3.184   3.944  -0.458
  287    HD2  TYR  55           HD1      TYR  55  -0.408   5.973  -2.964
  288    HE1  TYR  55           HE2      TYR  55  -4.231   2.924  -2.434
  289    HE2  TYR  55           HE1      TYR  55  -1.444   4.955  -4.943
  290    HH   TYR  55           HH       TYR  55  -2.798   3.079  -5.544
  291    HB2  TYR  55           HB2      TYR  55  -1.834   6.038   0.274
  292    HB3  TYR  55           HB3      TYR  55  -0.406   6.415  -0.676
  293    H    ASP  56           HN       ASP  56   1.856   6.057   0.352
  294    HA   ASP  56           HA       ASP  56   1.752   6.813   3.203
  295    HB2  ASP  56           HB2      ASP  56   3.719   5.353   2.484
  296    HB3  ASP  56           HB3      ASP  56   4.257   6.712   1.503
  297    H    LEU  57           HN       LEU  57   1.712   9.039   3.651
  298    HA   LEU  57           HA       LEU  57   2.325  10.807   1.366
  299    HG   LEU  57           HG       LEU  57  -1.373  11.492   1.565
  300    HB2  LEU  57           HB2      LEU  57   0.270  11.411   3.477
  301    HB3  LEU  57           HB3      LEU  57   0.698  12.426   2.134
  302   HD11  LEU  57          HD11      LEU  57   0.713   9.830   0.174
  303   HD12  LEU  57          HD12      LEU  57  -0.924  10.147  -0.402
  304   HD13  LEU  57          HD13      LEU  57   0.234  11.469  -0.259
  305   HD21  LEU  57          HD23      LEU  57  -0.310   8.760   2.238
  306   HD22  LEU  57          HD21      LEU  57  -1.391   9.712   3.251
  307   HD23  LEU  57          HD22      LEU  57  -1.930   9.154   1.667
  308    H    THR  58           HN       THR  58   3.840   9.826   3.815
  309    HA   THR  58           HA       THR  58   3.805  11.741   5.861
  310    HB   THR  58           HB       THR  58   6.093   9.890   5.230
  311    HG1  THR  58           HG1      THR  58   4.351   8.566   5.397
  312   HG21  THR  58          HG23      THR  58   6.601  11.561   6.949
  313   HG22  THR  58          HG21      THR  58   6.479   9.947   7.653
  314   HG23  THR  58          HG22      THR  58   5.150  11.093   7.837
  315    H    LYS  59           HN       LYS  59   5.515  11.796   2.855
  316    HA   LYS  59           HA       LYS  59   6.938  14.244   3.628
  317    HB2  LYS  59           HB2      LYS  59   7.085  12.364   1.321
  318    HB3  LYS  59           HB3      LYS  59   7.453  14.050   0.999
  319    HG2  LYS  59           HG2      LYS  59   9.072  13.783   3.040
  320    HG3  LYS  59           HG3      LYS  59   8.946  12.063   2.646
  321    HD2  LYS  59           HD2      LYS  59  10.849  13.048   1.486
  322    HD3  LYS  59           HD3      LYS  59   9.612  12.568   0.325
  323    HE2  LYS  59           HE2      LYS  59  10.401  14.723  -0.325
  324    HE3  LYS  59           HE3      LYS  59   8.785  14.925   0.343
  325    HZ1  LYS  59           HZ3      LYS  59   9.853  16.594   1.426
  326    HZ2  LYS  59           HZ1      LYS  59  11.358  15.810   1.402
  327    HZ3  LYS  59           HZ2      LYS  59  10.180  15.346   2.528
  328    H    PHE  60           HN       PHE  60   4.281  13.019   1.783
  329    HA   PHE  60           HA       PHE  60   3.926  15.030  -0.130
  330    HD1  PHE  60           HD2      PHE  60   3.788  14.546  -1.980
  331    HD2  PHE  60           HD1      PHE  60  -0.040  13.110  -0.814
  332    HE1  PHE  60           HE2      PHE  60   2.924  15.053  -4.222
  333    HE2  PHE  60           HE1      PHE  60  -0.914  13.613  -3.061
  334    HZ   PHE  60           HZ       PHE  60   0.572  14.579  -4.769
  335    HB2  PHE  60           HB2      PHE  60   3.024  12.562   0.051
  336    HB3  PHE  60           HB3      PHE  60   1.634  13.354   0.782
  337    H    LEU  61           HN       LEU  61   3.240  15.055   3.118
  338    HA   LEU  61           HA       LEU  61   0.754  16.148   3.501
  339    HG   LEU  61           HG       LEU  61   2.868  14.305   4.953
  340    HB2  LEU  61           HB2      LEU  61   3.273  16.718   5.066
  341    HB3  LEU  61           HB3      LEU  61   1.639  16.974   5.644
  342   HD11  LEU  61          HD11      LEU  61   2.162  15.554   7.597
  343   HD12  LEU  61          HD12      LEU  61   2.736  13.902   7.364
  344   HD13  LEU  61          HD13      LEU  61   3.785  15.266   6.974
  345   HD21  LEU  61          HD23      LEU  61   0.141  15.004   6.034
  346   HD22  LEU  61          HD21      LEU  61   0.512  14.233   4.491
  347   HD23  LEU  61          HD22      LEU  61   0.828  13.379   6.000
  348    H    GLU  62           HN       GLU  62   3.660  17.779   2.483
  349    HA   GLU  62           HA       GLU  62   2.393  20.406   2.859
  350    HB2  GLU  62           HB2      GLU  62   4.712  21.303   2.676
  351    HB3  GLU  62           HB3      GLU  62   4.486  20.209   4.027
  352    HG2  GLU  62           HG2      GLU  62   5.577  18.427   2.793
  353    HG3  GLU  62           HG3      GLU  62   5.756  19.486   1.395
  354    H    GLU  63           HN       GLU  63   2.829  18.198   0.485
  355    HA   GLU  63           HA       GLU  63   3.309  20.188  -1.640
  356    HB2  GLU  63           HB2      GLU  63   3.955  17.232  -1.616
  357    HB3  GLU  63           HB3      GLU  63   4.245  18.325  -2.963
  358    HG2  GLU  63           HG2      GLU  63   5.775  19.630  -1.516
  359    HG3  GLU  63           HG3      GLU  63   5.535  18.435  -0.243
  360    H    HIS  64           HN       HIS  64   1.126  18.023  -0.275
  361    HA   HIS  64           HA       HIS  64  -0.413  17.614  -2.654
  362    HD1  HIS  64           HD1      HIS  64  -3.460  16.789   0.546
  363    HD2  HIS  64           HD2      HIS  64  -2.197  14.909  -2.994
  364    HE1  HIS  64           HE1      HIS  64  -5.481  15.541  -0.387
  365    HB2  HIS  64           HB3      HIS  64  -0.263  15.859  -0.954
  366    HB3  HIS  64           HB2      HIS  64  -0.957  16.904   0.243
  367    HA   PRO  65           HA       PRO  65  -2.648  21.456  -2.861
  368    HB2  PRO  65           HB2      PRO  65  -4.919  19.496  -2.957
  369    HB3  PRO  65           HB3      PRO  65  -4.667  20.960  -3.919
  370    HG2  PRO  65           HG2      PRO  65  -4.059  18.544  -4.890
  371    HG3  PRO  65           HG3      PRO  65  -3.064  19.965  -5.257
  372    HD2  PRO  65           HD2      PRO  65  -2.448  17.637  -3.573
  373    HD3  PRO  65           HD3      PRO  65  -1.350  18.827  -4.295
  374    H    GLY  66           HN       GLY  66  -4.104  18.975  -0.729
  375    HA2  GLY  66           HA1      GLY  66  -5.546  21.075   0.710
  376    HA3  GLY  66           HA2      GLY  66  -5.826  19.349   0.847
  377    H    GLY  67           HN       GLY  67  -5.818  20.581   3.141
  378    HA2  GLY  67           HA1      GLY  67  -3.176  20.935   4.257
  379    HA3  GLY  67           HA2      GLY  67  -4.705  21.138   5.097
  380    H    GLU  68           HN       GLU  68  -2.422  19.887   6.134
  381    HA   GLU  68           HA       GLU  68  -2.323  17.115   5.952
  382    HB2  GLU  68           HB2      GLU  68  -0.510  18.229   6.965
  383    HB3  GLU  68           HB3      GLU  68  -1.546  19.107   8.072
  384    HG2  GLU  68           HG2      GLU  68  -1.505  16.171   8.387
  385    HG3  GLU  68           HG3      GLU  68  -0.016  17.031   8.785
  386    H    GLU  69           HN       GLU  69  -4.315  19.191   7.896
  387    HA   GLU  69           HA       GLU  69  -5.132  17.488   9.925
  388    HB2  GLU  69           HB2      GLU  69  -7.008  19.102  10.212
  389    HB3  GLU  69           HB3      GLU  69  -5.427  19.859  10.092
  390    HG2  GLU  69           HG2      GLU  69  -5.844  20.503   7.817
  391    HG3  GLU  69           HG3      GLU  69  -7.357  19.600   7.801
  392    H    VAL  70           HN       VAL  70  -6.597  17.984   6.741
  393    HA   VAL  70           HA       VAL  70  -8.950  16.486   7.543
  394    HB   VAL  70           HB       VAL  70  -9.148  18.571   6.195
  395   HG11  VAL  70          HG11      VAL  70  -7.984  16.888   3.977
  396   HG12  VAL  70          HG12      VAL  70  -8.742  18.465   3.770
  397   HG13  VAL  70          HG13      VAL  70  -7.255  18.320   4.704
  398   HG21  VAL  70          HG23      VAL  70 -10.931  16.868   6.303
  399   HG22  VAL  70          HG21      VAL  70 -10.933  17.772   4.790
  400   HG23  VAL  70          HG22      VAL  70 -10.286  16.133   4.835
  401    H    LEU  71           HN       LEU  71  -5.977  15.902   5.998
  402    HA   LEU  71           HA       LEU  71  -6.635  13.631   4.470
  403    HG   LEU  71           HG       LEU  71  -4.572  15.734   4.035
  404    HB2  LEU  71           HB2      LEU  71  -4.137  14.309   6.033
  405    HB3  LEU  71           HB3      LEU  71  -4.280  12.898   5.002
  406   HD11  LEU  71          HD11      LEU  71  -2.308  15.348   4.801
  407   HD12  LEU  71          HD12      LEU  71  -2.223  13.850   3.875
  408   HD13  LEU  71          HD13      LEU  71  -2.349  15.396   3.039
  409   HD21  LEU  71          HD23      LEU  71  -4.302  13.125   2.550
  410   HD22  LEU  71          HD21      LEU  71  -5.784  14.063   2.721
  411   HD23  LEU  71          HD22      LEU  71  -4.417  14.727   1.826
  412    H    ARG  72           HN       ARG  72  -5.721  14.111   7.785
  413    HA   ARG  72           HA       ARG  72  -5.467  11.500   8.667
  414    HE   ARG  72           HE       ARG  72  -5.155  13.869  12.323
  415    HB2  ARG  72           HB2      ARG  72  -6.156  14.054  10.100
  416    HB3  ARG  72           HB3      ARG  72  -5.872  12.537  10.941
  417    HG2  ARG  72           HG2      ARG  72  -3.639  12.518  10.457
  418    HG3  ARG  72           HG3      ARG  72  -3.823  13.539   9.028
  419    HD2  ARG  72           HD2      ARG  72  -2.747  14.588  11.094
  420    HD3  ARG  72           HD3      ARG  72  -4.051  15.485  10.317
  421   HH11  ARG  72          HH12      ARG  72  -3.049  16.651  12.025
  422   HH12  ARG  72          HH11      ARG  72  -3.608  17.388  13.504
  423   HH21  ARG  72          HH22      ARG  72  -5.870  14.804  14.282
  424   HH22  ARG  72          HH21      ARG  72  -5.188  16.307  14.818
  425    H    GLU  73           HN       GLU  73  -8.317  13.362   8.159
  426    HA   GLU  73           HA       GLU  73  -9.980  12.171  10.133
  427    HB2  GLU  73           HB2      GLU  73 -10.268  14.451   9.005
  428    HB3  GLU  73           HB3      GLU  73 -10.910  13.572   7.624
  429    HG2  GLU  73           HG2      GLU  73 -12.696  12.668   9.017
  430    HG3  GLU  73           HG3      GLU  73 -12.045  13.524  10.413
  431    H    GLN  74           HN       GLN  74  -9.217  11.499   6.822
  432    HA   GLN  74           HA       GLN  74 -11.088   9.229   6.716
  433    HB2  GLN  74           HB2      GLN  74  -9.622  10.853   4.667
  434    HB3  GLN  74           HB3      GLN  74 -10.110   9.216   4.270
  435    HG2  GLN  74           HG2      GLN  74 -11.751  10.690   3.423
  436    HG3  GLN  74           HG3      GLN  74 -12.453   9.853   4.806
  437   HE21  GLN  74          HE21      GLN  74 -12.956  11.019   6.658
  438   HE22  GLN  74          HE22      GLN  74 -12.976  12.749   6.691
  439    H    ALA  75           HN       ALA  75  -7.807  10.143   6.986
  440    HA   ALA  75           HA       ALA  75  -6.514   7.909   5.897
  441    HB1  ALA  75           HB3      ALA  75  -4.522   8.696   6.999
  442    HB2  ALA  75           HB1      ALA  75  -5.414  10.078   6.360
  443    HB3  ALA  75           HB2      ALA  75  -5.476   9.706   8.084
  444    H    GLY  76           HN       GLY  76  -5.419   6.208   6.910
  445    HA2  GLY  76           HA1      GLY  76  -5.123   4.935   9.031
  446    HA3  GLY  76           HA2      GLY  76  -6.838   5.225   9.309
  447    H    GLY  77           HN       GLY  77  -7.344   4.921   6.379
  448    HA2  GLY  77           HA1      GLY  77  -6.753   2.936   4.881
  449    HA3  GLY  77           HA2      GLY  77  -7.215   1.979   6.282
  450    H    ASP  78           HN       ASP  78  -8.489   1.567   3.885
  451    HA   ASP  78           HA       ASP  78 -10.591   1.282   3.019
  452    HB2  ASP  78           HB2      ASP  78 -10.569   0.757   5.787
  453    HB3  ASP  78           HB3      ASP  78 -12.077   1.607   5.468
  454    H    ALA  79           HN       ALA  79  -9.791   3.877   2.690
  455    HA   ALA  79           HA       ALA  79 -12.130   5.527   3.408
  456    HB1  ALA  79           HB3      ALA  79 -10.184   6.172   4.708
  457    HB2  ALA  79           HB1      ALA  79  -9.246   6.380   3.228
  458    HB3  ALA  79           HB2      ALA  79 -10.619   7.437   3.564
  459    H    THR  80           HN       THR  80 -12.277   4.159   1.139
  460    HA   THR  80           HA       THR  80 -11.104   5.711  -1.018
  461    HB   THR  80           HB       THR  80 -11.043   3.198  -1.015
  462    HG1  THR  80           HG1      THR  80 -12.319   4.522  -3.209
  463   HG21  THR  80          HG23      THR  80 -13.057   1.995  -1.741
  464   HG22  THR  80          HG21      THR  80 -13.984   3.492  -1.643
  465   HG23  THR  80          HG22      THR  80 -13.308   2.777  -0.181
  466    H    GLU  81           HN       GLU  81 -13.861   6.120   0.747
  467    HA   GLU  81           HA       GLU  81 -15.916   6.346  -1.146
  468    HB2  GLU  81           HB2      GLU  81 -16.303   6.508   1.301
  469    HB3  GLU  81           HB3      GLU  81 -15.537   8.094   1.302
  470    HG2  GLU  81           HG2      GLU  81 -17.268   8.941  -0.200
  471    HG3  GLU  81           HG3      GLU  81 -18.031   7.355  -0.220
  472    H    ASN  82           HN       ASN  82 -13.800   8.855   0.124
  473    HA   ASN  82           HA       ASN  82 -14.494  11.030  -1.406
  474    HB2  ASN  82           HB2      ASN  82 -12.984  11.253   0.453
  475    HB3  ASN  82           HB3      ASN  82 -11.806  10.186  -0.304
  476   HD21  ASN  82          HD21      ASN  82 -13.168  13.387  -0.263
  477   HD22  ASN  82          HD22      ASN  82 -11.961  14.126  -1.256
  478    H    PHE  83           HN       PHE  83 -12.485   8.339  -2.201
  479    HA   PHE  83           HA       PHE  83 -11.182   9.445  -4.472
  480    HD1  PHE  83           HD1      PHE  83  -8.741   8.830  -4.686
  481    HD2  PHE  83           HD2      PHE  83 -10.914   5.252  -5.450
  482    HE1  PHE  83           HE1      PHE  83  -7.151   8.260  -6.477
  483    HE2  PHE  83           HE2      PHE  83  -9.338   4.671  -7.238
  484    HZ   PHE  83           HZ       PHE  83  -7.450   6.172  -7.758
  485    HB2  PHE  83           HB2      PHE  83 -10.312   7.637  -2.969
  486    HB3  PHE  83           HB3      PHE  83 -11.506   6.551  -3.667
  487    H    GLU  84           HN       GLU  84 -14.065   7.601  -3.911
  488    HA   GLU  84           HA       GLU  84 -14.523   7.025  -6.720
  489    HB2  GLU  84           HB2      GLU  84 -16.355   6.574  -4.361
  490    HB3  GLU  84           HB3      GLU  84 -16.485   5.839  -5.950
  491    HG2  GLU  84           HG2      GLU  84 -14.262   5.360  -3.984
  492    HG3  GLU  84           HG3      GLU  84 -15.642   4.298  -4.247
  493    H    ASP  85           HN       ASP  85 -15.621   9.130  -4.188
  494    HA   ASP  85           HA       ASP  85 -18.183   9.735  -5.293
  495    HB2  ASP  85           HB2      ASP  85 -17.841   9.654  -2.883
  496    HB3  ASP  85           HB3      ASP  85 -16.671  10.968  -2.979
  497    H    VAL  86           HN       VAL  86 -15.365  11.826  -4.639
  498    HA   VAL  86           HA       VAL  86 -16.495  13.768  -6.523
  499    HB   VAL  86           HB       VAL  86 -16.006  14.621  -4.270
  500   HG11  VAL  86          HG11      VAL  86 -14.184  13.173  -3.648
  501   HG12  VAL  86          HG12      VAL  86 -13.145  13.895  -4.875
  502   HG13  VAL  86          HG13      VAL  86 -13.685  14.857  -3.498
  503   HG21  VAL  86          HG23      VAL  86 -15.884  16.179  -6.107
  504   HG22  VAL  86          HG21      VAL  86 -14.659  16.570  -4.900
  505   HG23  VAL  86          HG22      VAL  86 -14.194  15.753  -6.392
  506    H    GLY  87           HN       GLY  87 -13.684  11.787  -5.871
  507    HA2  GLY  87           HA1      GLY  87 -12.488  10.683  -7.520
  508    HA3  GLY  87           HA2      GLY  87 -13.210  11.741  -8.719
  509    H    HIS  88           HN       HIS  88 -10.470  10.836  -8.294
  510    HA   HIS  88           HA       HIS  88  -9.109  13.427  -8.150
  511    HD1  HIS  88           HD1      HIS  88  -8.891  10.523  -5.500
  512    HD2  HIS  88           HD2      HIS  88  -6.115  13.441  -6.573
  513    HE1  HIS  88           HE1      HIS  88  -7.811  11.334  -3.332
  514    HB2  HIS  88           HB2      HIS  88  -8.172  10.562  -8.089
  515    HB3  HIS  88           HB3      HIS  88  -7.065  11.838  -8.571
  516    H    SER  89           HN       SER  89  -7.902  14.144 -10.058
  517    HA   SER  89           HA       SER  89  -9.224  13.167 -12.463
  518    HG   SER  89           HG       SER  89  -7.945  16.454 -11.117
  519    HB2  SER  89           HB2      SER  89  -8.088  15.194 -13.508
  520    HB3  SER  89           HB3      SER  89  -9.352  15.499 -12.321
  521    H    THR  90           HN       THR  90  -7.413  13.790 -14.437
  522    HA   THR  90           HA       THR  90  -5.812  11.414 -14.333
  523    HB   THR  90           HB       THR  90  -5.807  13.491 -16.529
  524    HG1  THR  90           HG1      THR  90  -7.644  12.610 -17.282
  525   HG21  THR  90          HG23      THR  90  -5.196  11.615 -17.951
  526   HG22  THR  90          HG21      THR  90  -5.322  10.505 -16.581
  527   HG23  THR  90          HG22      THR  90  -4.059  11.735 -16.610
  528    H    ASP  91           HN       ASP  91  -4.633  12.411 -12.420
  529    HA   ASP  91           HA       ASP  91  -1.966  12.849 -13.406
  530    HB2  ASP  91           HB2      ASP  91  -2.762  15.195 -13.137
  531    HB3  ASP  91           HB3      ASP  91  -3.124  14.859 -11.445
  532    H    ALA  92           HN       ALA  92  -3.911  13.120 -10.490
  533    HA   ALA  92           HA       ALA  92  -2.195  11.866  -8.679
  534    HB1  ALA  92           HB3      ALA  92  -5.207  11.874  -8.594
  535    HB2  ALA  92           HB1      ALA  92  -4.096  11.716  -7.231
  536    HB3  ALA  92           HB2      ALA  92  -4.191  13.234  -8.120
  537    H    ARG  93           HN       ARG  93  -4.159  10.567 -11.163
  538    HA   ARG  93           HA       ARG  93  -4.528   7.914 -10.326
  539    HE   ARG  93           HE       ARG  93  -4.835   7.633 -14.359
  540    HB2  ARG  93           HB2      ARG  93  -4.094   9.147 -13.042
  541    HB3  ARG  93           HB3      ARG  93  -4.456   7.444 -12.822
  542    HG2  ARG  93           HG2      ARG  93  -6.606   8.006 -11.859
  543    HG3  ARG  93           HG3      ARG  93  -6.228   9.729 -12.004
  544    HD2  ARG  93           HD2      ARG  93  -7.578   8.384 -13.889
  545    HD3  ARG  93           HD3      ARG  93  -6.530   9.754 -14.253
  546   HH11  ARG  93          HH12      ARG  93  -7.959   8.157 -15.873
  547   HH12  ARG  93          HH11      ARG  93  -7.505   7.360 -17.347
  548   HH21  ARG  93          HH22      ARG  93  -4.235   6.603 -16.257
  549   HH22  ARG  93          HH21      ARG  93  -5.347   6.502 -17.593
  550    H    GLU  94           HN       GLU  94  -1.779   9.633 -11.585
  551    HA   GLU  94           HA       GLU  94  -0.397   7.118 -12.243
  552    HB2  GLU  94           HB2      GLU  94   0.192   9.842 -13.404
  553    HB3  GLU  94           HB3      GLU  94   0.695   8.274 -14.017
  554    HG2  GLU  94           HG2      GLU  94  -2.138   9.274 -13.953
  555    HG3  GLU  94           HG3      GLU  94  -1.076   9.326 -15.355
  556    H    MET  95           HN       MET  95  -0.277  10.195 -10.731
  557    HA   MET  95           HA       MET  95   2.428  10.315  -9.935
  558    HB2  MET  95           HB2      MET  95   0.924  12.247  -9.934
  559    HB3  MET  95           HB3      MET  95  -0.066  11.494  -8.697
  560    HG2  MET  95           HG2      MET  95   1.234  13.098  -7.597
  561    HG3  MET  95           HG3      MET  95   1.980  11.544  -7.211
  562    HE1  MET  95           HE3      MET  95   3.579  14.606 -10.248
  563    HE2  MET  95           HE1      MET  95   2.228  13.534 -10.618
  564    HE3  MET  95           HE2      MET  95   2.073  14.737  -9.339
  565    H    SER  96           HN       SER  96  -0.450   8.917  -8.567
  566    HA   SER  96           HA       SER  96   0.577   8.564  -5.951
  567    HG   SER  96           HG       SER  96  -2.575   9.478  -6.605
  568    HB2  SER  96           HB2      SER  96  -1.917   7.686  -7.338
  569    HB3  SER  96           HB3      SER  96  -1.570   7.203  -5.672
  570    H    LYS  97           HN       LYS  97   1.029   6.849  -8.756
  571    HA   LYS  97           HA       LYS  97   0.910   4.138  -8.046
  572    HB2  LYS  97           HB2      LYS  97   2.794   5.430 -10.025
  573    HB3  LYS  97           HB3      LYS  97   2.294   3.747 -10.005
  574    HG2  LYS  97           HG2      LYS  97   0.370   6.015 -10.392
  575    HG3  LYS  97           HG3      LYS  97   1.209   5.224 -11.723
  576    HD2  LYS  97           HD2      LYS  97  -0.105   3.355  -9.909
  577    HD3  LYS  97           HD3      LYS  97  -1.217   4.483 -10.689
  578    HE2  LYS  97           HE2      LYS  97  -1.112   2.679 -12.166
  579    HE3  LYS  97           HE3      LYS  97  -0.021   3.874 -12.865
  580    HZ1  LYS  97           HZ3      LYS  97   1.835   2.656 -11.769
  581    HZ2  LYS  97           HZ1      LYS  97   1.025   1.746 -12.945
  582    HZ3  LYS  97           HZ2      LYS  97   0.725   1.458 -11.311
  583    H    THR  98           HN       THR  98   3.333   6.556  -7.440
  584    HA   THR  98           HA       THR  98   5.268   4.550  -6.540
  585    HB   THR  98           HB       THR  98   6.636   6.807  -6.263
  586    HG1  THR  98           HG1      THR  98   5.508   8.443  -7.004
  587   HG21  THR  98          HG23      THR  98   6.061   5.463  -8.909
  588   HG22  THR  98          HG21      THR  98   7.287   4.993  -7.737
  589   HG23  THR  98          HG22      THR  98   7.432   6.527  -8.594
  590    H    PHE  99           HN       PHE  99   2.719   5.859  -5.212
  591    HA   PHE  99           HA       PHE  99   4.007   6.375  -2.615
  592    HD1  PHE  99           HD1      PHE  99   3.685   8.662  -1.364
  593    HD2  PHE  99           HD2      PHE  99   1.745   8.865  -5.139
  594    HE1  PHE  99           HE1      PHE  99   4.635  10.903  -1.721
  595    HE2  PHE  99           HE2      PHE  99   2.684  11.111  -5.503
  596    HZ   PHE  99           HZ       PHE  99   4.132  12.133  -3.795
  597    HB2  PHE  99           HB2      PHE  99   1.280   7.088  -3.699
  598    HB3  PHE  99           HB3      PHE  99   1.680   7.212  -1.988
  599    H    ILE 100           HN       ILE 100   2.460   4.062  -4.442
  600    HA   ILE 100           HA       ILE 100   0.995   2.676  -2.427
  601    HB   ILE 100           HB       ILE 100   2.067   1.581  -5.040
  602   HG12  ILE 100          HG12      ILE 100  -0.615   2.822  -4.412
  603   HG13  ILE 100          HG13      ILE 100   0.649   3.549  -5.400
  604   HG21  ILE 100          HG21      ILE 100   1.424  -0.187  -3.522
  605   HG22  ILE 100          HG22      ILE 100  -0.124   0.596  -3.212
  606   HG23  ILE 100          HG23      ILE 100   0.229  -0.059  -4.812
  607   HD11  ILE 100          HD13      ILE 100   0.433   1.694  -6.993
  608   HD12  ILE 100          HD11      ILE 100  -0.877   1.035  -6.014
  609   HD13  ILE 100          HD12      ILE 100  -1.068   2.603  -6.797
  610    H    ILE 101           HN       ILE 101   2.232   2.185  -0.686
  611    HA   ILE 101           HA       ILE 101   4.946   1.231  -1.010
  612    HB   ILE 101           HB       ILE 101   4.984   1.254   1.488
  613   HG12  ILE 101          HG12      ILE 101   2.205   2.408   1.162
  614   HG13  ILE 101          HG13      ILE 101   2.588   0.848   1.876
  615   HG21  ILE 101          HG21      ILE 101   5.759   3.183   0.272
  616   HG22  ILE 101          HG22      ILE 101   4.107   3.785   0.113
  617   HG23  ILE 101          HG23      ILE 101   4.871   3.705   1.700
  618   HD11  ILE 101          HD13      ILE 101   3.815   1.987   3.662
  619   HD12  ILE 101          HD11      ILE 101   3.387   3.541   2.949
  620   HD13  ILE 101          HD12      ILE 101   2.126   2.487   3.588
  621    H    GLY 102           HN       GLY 102   1.839  -0.130  -0.578
  622    HA2  GLY 102           HA1      GLY 102   2.612  -2.710  -1.112
  623    HA3  GLY 102           HA2      GLY 102   2.697  -2.571   0.639
  624    H    GLU 103           HN       GLU 103   0.992  -4.060   0.920
  625    HA   GLU 103           HA       GLU 103  -1.626  -2.804   0.493
  626    HB2  GLU 103           HB2      GLU 103  -0.781  -5.478  -0.459
  627    HB3  GLU 103           HB3      GLU 103  -2.387  -5.360   0.250
  628    HG2  GLU 103           HG2      GLU 103  -2.869  -3.493  -1.328
  629    HG3  GLU 103           HG3      GLU 103  -1.316  -3.820  -2.098
  630    H    LEU 104           HN       LEU 104  -3.206  -4.726   1.539
  631    HA   LEU 104           HA       LEU 104  -2.787  -4.318   4.366
  632    HG   LEU 104           HG       LEU 104  -5.441  -5.587   5.400
  633    HB2  LEU 104           HB2      LEU 104  -4.910  -4.033   2.893
  634    HB3  LEU 104           HB3      LEU 104  -5.071  -5.766   3.078
  635   HD11  LEU 104          HD11      LEU 104  -3.700  -3.942   5.899
  636   HD12  LEU 104          HD12      LEU 104  -4.698  -2.673   5.187
  637   HD13  LEU 104          HD13      LEU 104  -5.238  -3.509   6.642
  638   HD21  LEU 104          HD23      LEU 104  -6.850  -3.297   4.034
  639   HD22  LEU 104          HD21      LEU 104  -7.339  -4.989   3.977
  640   HD23  LEU 104          HD22      LEU 104  -7.374  -4.109   5.509
  641    H    HIS 105           HN       HIS 105  -2.957  -6.096   5.921
  642    HA   HIS 105           HA       HIS 105  -1.147  -8.157   5.362
  643    HD1  HIS 105           HD1      HIS 105  -1.797 -10.529   8.650
  644    HD2  HIS 105           HD2      HIS 105   0.690  -7.409   7.425
  645    HE1  HIS 105           HE1      HIS 105   0.502 -11.109   9.487
  646    HE2  HIS 105           HE2      HIS 105   1.906  -9.072   8.987
  647    HB2  HIS 105           HB2      HIS 105  -2.303  -7.136   7.615
  648    HB3  HIS 105           HB3      HIS 105  -3.059  -8.722   7.514
  649    HA   PRO 106           HA       PRO 106  -3.210 -11.564   3.404
  650    HB2  PRO 106           HB2      PRO 106  -2.432 -13.119   5.821
  651    HB3  PRO 106           HB3      PRO 106  -2.207 -13.507   4.115
  652    HG2  PRO 106           HG2      PRO 106  -0.204 -12.595   5.676
  653    HG3  PRO 106           HG3      PRO 106  -0.303 -12.251   3.940
  654    HD2  PRO 106           HD2      PRO 106  -0.702 -10.454   6.229
  655    HD3  PRO 106           HD3      PRO 106  -0.348 -10.067   4.536
  656    H    ASP 107           HN       ASP 107  -3.913 -10.708   6.668
  657    HA   ASP 107           HA       ASP 107  -6.232 -12.480   6.850
  658    HB2  ASP 107           HB2      ASP 107  -5.226 -10.664   9.022
  659    HB3  ASP 107           HB3      ASP 107  -6.060 -12.206   9.180
  660    H    ASP 108           HN       ASP 108  -5.358  -9.251   6.308
  661    HA   ASP 108           HA       ASP 108  -7.945  -8.130   7.178
  662    HB2  ASP 108           HB2      ASP 108  -5.293  -6.807   6.537
  663    HB3  ASP 108           HB3      ASP 108  -6.751  -5.949   7.017
  664    H    ARG 109           HN       ARG 109  -5.832  -8.691   4.563
  665    HA   ARG 109           HA       ARG 109  -6.708  -6.825   2.653
  666    HE   ARG 109           HE       ARG 109  -3.799  -7.330  -1.424
  667    HB2  ARG 109           HB2      ARG 109  -4.519  -8.070   2.712
  668    HB3  ARG 109           HB3      ARG 109  -5.380  -9.501   2.192
  669    HG2  ARG 109           HG2      ARG 109  -6.025  -8.280   0.123
  670    HG3  ARG 109           HG3      ARG 109  -4.969  -6.960   0.639
  671    HD2  ARG 109           HD2      ARG 109  -3.114  -8.653   0.799
  672    HD3  ARG 109           HD3      ARG 109  -4.201  -9.806   0.032
  673   HH11  ARG 109          HH12      ARG 109  -2.746 -10.644  -0.920
  674   HH12  ARG 109          HH11      ARG 109  -1.939 -10.741  -2.452
  675   HH21  ARG 109          HH22      ARG 109  -2.704  -7.457  -3.409
  676   HH22  ARG 109          HH21      ARG 109  -1.933  -8.947  -3.882
  677    HA   PRO 110           HA       PRO 110  -9.583 -10.279   1.013
  678    HB2  PRO 110           HB2      PRO 110  -9.679 -12.456   2.928
  679    HB3  PRO 110           HB3      PRO 110  -9.186 -12.496   1.233
  680    HG2  PRO 110           HG2      PRO 110  -7.449 -12.878   3.288
  681    HG3  PRO 110           HG3      PRO 110  -6.977 -12.180   1.730
  682    HD2  PRO 110           HD2      PRO 110  -7.616 -10.786   4.307
  683    HD3  PRO 110           HD3      PRO 110  -6.281 -10.494   3.171
  684    H    LYS 111           HN       LYS 111  -9.420  -9.687   4.425
  685    HA   LYS 111           HA       LYS 111 -10.929  -9.134   6.015
  686    HB2  LYS 111           HB2      LYS 111 -12.785  -8.683   3.668
  687    HB3  LYS 111           HB3      LYS 111 -13.100  -8.173   5.319
  688    HG2  LYS 111           HG2      LYS 111 -11.131  -6.708   5.237
  689    HG3  LYS 111           HG3      LYS 111 -10.842  -7.214   3.571
  690    HD2  LYS 111           HD2      LYS 111 -13.022  -6.309   2.912
  691    HD3  LYS 111           HD3      LYS 111 -13.317  -5.803   4.574
  692    HE2  LYS 111           HE2      LYS 111 -10.966  -4.850   2.946
  693    HE3  LYS 111           HE3      LYS 111 -12.508  -3.999   3.000
  694    HZ1  LYS 111           HZ3      LYS 111 -11.198  -2.953   4.597
  695    HZ2  LYS 111           HZ1      LYS 111 -10.568  -4.421   5.190
  696    HZ3  LYS 111           HZ2      LYS 111 -12.174  -4.006   5.502
  697    H    LEU 112           HN       LEU 112 -13.174 -10.594   3.692
  698    HA   LEU 112           HA       LEU 112 -13.993 -12.525   5.724
  699    HG   LEU 112           HG       LEU 112 -15.676 -13.913   3.107
  700    HB2  LEU 112           HB2      LEU 112 -15.846 -11.415   4.796
  701    HB3  LEU 112           HB3      LEU 112 -15.205 -11.511   3.171
  702   HD11  LEU 112          HD11      LEU 112 -15.407 -14.446   5.468
  703   HD12  LEU 112          HD12      LEU 112 -16.854 -13.512   5.858
  704   HD13  LEU 112          HD13      LEU 112 -16.986 -14.976   4.882
  705   HD21  LEU 112          HD23      LEU 112 -17.376 -12.301   2.367
  706   HD22  LEU 112          HD21      LEU 112 -18.086 -13.780   3.013
  707   HD23  LEU 112          HD22      LEU 112 -18.072 -12.309   3.986
  708    H    ASN 113           HN       ASN 113 -13.138 -12.460   2.263
  709    HA   ASN 113           HA       ASN 113 -11.656 -14.919   2.508
  710    HB2  ASN 113           HB2      ASN 113 -13.941 -15.806   2.372
  711    HB3  ASN 113           HB3      ASN 113 -14.244 -14.867   0.922
  712   HD21  ASN 113          HD21      ASN 113 -12.698 -17.673   2.243
  713   HD22  ASN 113          HD22      ASN 113 -12.325 -18.429   0.735
  714    H    LYS 114           HN       LYS 114 -12.019 -11.979   1.251
  715    HA   LYS 114           HA       LYS 114 -11.521 -10.796  -0.601
  716    HB2  LYS 114           HB2      LYS 114  -9.268 -11.548  -0.317
  717    HB3  LYS 114           HB3      LYS 114  -9.644 -13.137  -0.964
  718    HG2  LYS 114           HG2      LYS 114 -10.080 -12.003  -3.169
  719    HG3  LYS 114           HG3      LYS 114  -9.386 -10.545  -2.452
  720    HD2  LYS 114           HD2      LYS 114  -7.805 -12.062  -3.783
  721    HD3  LYS 114           HD3      LYS 114  -7.273 -11.540  -2.184
  722    HE2  LYS 114           HE2      LYS 114  -6.875 -13.957  -2.669
  723    HE3  LYS 114           HE3      LYS 114  -7.844 -13.651  -1.227
  724    HZ1  LYS 114           HZ3      LYS 114  -8.914 -15.380  -2.355
  725    HZ2  LYS 114           HZ1      LYS 114  -8.764 -14.640  -3.869
  726    HZ3  LYS 114           HZ2      LYS 114  -9.837 -14.010  -2.716
  727    HA   PRO 115           HA       PRO 115 -14.681 -13.486  -2.662
  728    HB2  PRO 115           HB2      PRO 115 -16.470 -11.454  -3.047
  729    HB3  PRO 115           HB3      PRO 115 -16.398 -12.419  -1.569
  730    HG2  PRO 115           HG2      PRO 115 -15.257  -9.708  -2.121
  731    HG3  PRO 115           HG3      PRO 115 -16.094 -10.297  -0.674
  732    HD2  PRO 115           HD2      PRO 115 -13.405 -10.081  -0.790
  733    HD3  PRO 115           HD3      PRO 115 -14.212 -11.368   0.131
  734    HA   PRO 116           HA       PRO 116 -13.045 -12.276  -6.690
  735    HB2  PRO 116           HB2      PRO 116 -15.142 -14.219  -7.539
  736    HB3  PRO 116           HB3      PRO 116 -13.429 -14.144  -7.982
  737    HG2  PRO 116           HG2      PRO 116 -14.302 -15.982  -6.256
  738    HG3  PRO 116           HG3      PRO 116 -12.739 -15.175  -6.023
  739    HD2  PRO 116           HD2      PRO 116 -15.338 -14.707  -4.627
  740    HD3  PRO 116           HD3      PRO 116 -13.686 -14.689  -3.978
  741    H    GLU 117           HN       GLU 117 -16.501 -13.093  -6.622
  742    HA   GLU 117           HA       GLU 117 -17.521 -10.535  -6.525
  743    HB2  GLU 117           HB2      GLU 117 -16.484 -10.231  -8.763
  744    HB3  GLU 117           HB3      GLU 117 -17.476 -11.545  -9.377
  745    HG2  GLU 117           HG2      GLU 117 -19.490 -10.235  -8.732
  746    HG3  GLU 117           HG3      GLU 117 -18.422  -8.893  -8.321
  747    H    THR 118           HN       THR 118 -18.684 -12.830  -8.969
  748    HA   THR 118           HA       THR 118 -21.097 -13.107  -7.330
  749    HB   THR 118           HB       THR 118 -20.818 -13.907 -10.229
  750    HG1  THR 118           HG1      THR 118 -20.286 -11.692 -10.059
  751   HG21  THR 118          HG23      THR 118 -23.263 -13.500 -10.217
  752   HG22  THR 118          HG21      THR 118 -23.172 -13.150  -8.493
  753   HG23  THR 118          HG22      THR 118 -22.786 -14.766  -9.083
  754    H    LEU 119           HN       LEU 119 -20.022 -14.681  -5.925
  755    HA   LEU 119           HA       LEU 119 -19.975 -17.356  -7.162
  756    HG   LEU 119           HG       LEU 119 -16.457 -17.605  -6.197
  757    HB2  LEU 119           HB2      LEU 119 -18.143 -16.132  -5.165
  758    HB3  LEU 119           HB3      LEU 119 -18.516 -17.836  -4.985
  759   HD11  LEU 119          HD11      LEU 119 -18.663 -18.385  -8.093
  760   HD12  LEU 119          HD12      LEU 119 -16.969 -18.858  -8.202
  761   HD13  LEU 119          HD13      LEU 119 -17.957 -19.423  -6.856
  762   HD21  LEU 119          HD23      LEU 119 -18.003 -15.893  -8.138
  763   HD22  LEU 119          HD21      LEU 119 -16.712 -15.363  -7.058
  764   HD23  LEU 119          HD22      LEU 119 -16.356 -16.476  -8.380
  765    H    ILE 120           HN       ILE 120 -19.788 -16.604  -3.737
  766    HA   ILE 120           HA       ILE 120 -22.342 -18.022  -3.373
  767    HB   ILE 120           HB       ILE 120 -19.937 -17.989  -1.534
  768   HG12  ILE 120          HG12      ILE 120 -19.616 -19.399  -3.527
  769   HG13  ILE 120          HG13      ILE 120 -19.728 -20.369  -2.063
  770   HG21  ILE 120          HG21      ILE 120 -22.568 -19.428  -1.240
  771   HG22  ILE 120          HG22      ILE 120 -21.174 -19.607  -0.175
  772   HG23  ILE 120          HG23      ILE 120 -22.015 -18.062  -0.275
  773   HD11  ILE 120          HD13      ILE 120 -20.937 -21.372  -3.927
  774   HD12  ILE 120          HD11      ILE 120 -22.028 -20.941  -2.609
  775   HD13  ILE 120          HD12      ILE 120 -21.943 -19.931  -4.051
  776    H    THR 121           HN       THR 121 -23.914 -16.885  -2.476
  777    HA   THR 121           HA       THR 121 -23.206 -14.671  -0.674
  778    HB   THR 121           HB       THR 121 -23.931 -13.765  -2.855
  779    HG1  THR 121           HG1      THR 121 -25.402 -12.312  -1.968
  780   HG21  THR 121          HG23      THR 121 -26.515 -15.215  -2.270
  781   HG22  THR 121          HG21      THR 121 -25.411 -15.531  -3.612
  782   HG23  THR 121          HG22      THR 121 -26.298 -14.008  -3.537
  783    H    THR 122           HN       THR 122 -24.859 -14.196   0.928
  784    HA   THR 122           HA       THR 122 -26.269 -16.656   1.706
  785    HB   THR 122           HB       THR 122 -25.599 -14.382   3.566
  786    HG1  THR 122           HG1      THR 122 -23.906 -16.254   2.411
  787   HG21  THR 122          HG23      THR 122 -26.134 -17.331   3.935
  788   HG22  THR 122          HG21      THR 122 -27.179 -15.994   4.414
  789   HG23  THR 122          HG22      THR 122 -25.636 -16.240   5.230
  790    H    ILE 123           HN       ILE 123 -28.427 -16.614   2.219
  791    HA   ILE 123           HA       ILE 123 -29.835 -14.101   1.657
  792    HB   ILE 123           HB       ILE 123 -31.872 -15.568   1.434
  793   HG12  ILE 123          HG12      ILE 123 -29.821 -17.791   1.332
  794   HG13  ILE 123          HG13      ILE 123 -30.941 -17.518   2.662
  795   HG21  ILE 123          HG21      ILE 123 -30.604 -14.684  -0.505
  796   HG22  ILE 123          HG22      ILE 123 -29.652 -16.167  -0.525
  797   HG23  ILE 123          HG23      ILE 123 -31.387 -16.229  -0.837
  798   HD11  ILE 123          HD13      ILE 123 -32.821 -17.941   1.198
  799   HD12  ILE 123          HD11      ILE 123 -31.729 -18.141  -0.175
  800   HD13  ILE 123          HD12      ILE 123 -31.692 -19.295   1.158
  801    H    ASP 124           HN       ASP 124 -31.722 -13.594   2.973
  802    HA   ASP 124           HA       ASP 124 -31.153 -13.571   5.712
  803    HB2  ASP 124           HB2      ASP 124 -32.512 -11.836   4.741
  804    HB3  ASP 124           HB3      ASP 124 -33.717 -13.001   4.212
  805    H    SER 125           HN       SER 125 -34.167 -14.959   4.449
  806    HA   SER 125           HA       SER 125 -33.671 -17.481   5.796
  807    HG   SER 125           HG       SER 125 -34.523 -14.717   7.283
  808    HB2  SER 125           HB2      SER 125 -36.211 -16.000   6.480
  809    HB3  SER 125           HB3      SER 125 -35.501 -17.393   7.291
  810    H    SER 126           HN       SER 126 -36.089 -18.723   5.554
  811    HA   SER 126           HA       SER 126 -36.605 -18.929   2.777
  812    HG   SER 126           HG       SER 126 -37.221 -21.693   4.998
  813    HB2  SER 126           HB2      SER 126 -38.307 -19.805   5.128
  814    HB3  SER 126           HB3      SER 126 -38.534 -20.320   3.455
  815    H    SER 127           HN       SER 127 -38.011 -17.088   5.386
  816    HA   SER 127           HA       SER 127 -38.895 -15.004   5.347
  817    HG   SER 127           HG       SER 127 -36.721 -15.302   3.145
  818    HB2  SER 127           HB2      SER 127 -38.802 -15.215   2.335
  819    HB3  SER 127           HB3      SER 127 -39.092 -13.747   3.262
  820    H    SER 128           HN       SER 128 -40.388 -16.968   2.768
  821    HA   SER 128           HA       SER 128 -42.543 -17.443   2.250
  822    HG   SER 128           HG       SER 128 -41.843 -18.044   5.279
  823    HB2  SER 128           HB2      SER 128 -43.256 -16.365   4.989
  824    HB3  SER 128           HB3      SER 128 -44.261 -17.395   3.967
  825    HHA  HEM 129           HHA      HEM 129  -5.707  17.270  -6.046
  826    HHB  HEM 129           HHB      HEM 129  -1.880  12.084  -5.660
  827    HHC  HEM 129           HHC      HEM 129  -5.050  10.146  -0.486
  828    HHD  HEM 129           HHD      HEM 129  -8.851  15.368  -0.733
  829    HAB  HEM 129           HAB      HEM 129  -2.335   8.982  -0.613
  830    HAC  HEM 129           HAC      HEM 129  -9.975  13.449   0.763
  831   HMA1  HEM 129          HMA1      HEM 129  -1.251  15.191  -8.022
  832   HMA2  HEM 129          HMA2      HEM 129  -0.509  14.502  -6.576
  833   HMA3  HEM 129          HMA3      HEM 129  -1.367  13.460  -7.727
  834   HAA1  HEM 129          HAA1      HEM 129  -3.181  17.690  -7.461
  835   HAA2  HEM 129          HAA2      HEM 129  -2.629  16.439  -8.072
  836   HBA1  HEM 129          HBA1      HEM 129  -3.457  15.659  -9.574
  837   HBA2  HEM 129          HBA2      HEM 129  -3.969  17.346  -9.763
  838   HMB1  HEM 129          HMB1      HEM 129   0.052  10.961  -3.044
  839   HMB2  HEM 129          HMB2      HEM 129  -0.611   9.716  -4.294
  840   HMB3  HEM 129          HMB3      HEM 129  -0.757   9.733  -2.776
  841   HBB1  HEM 129          HBB1      HEM 129  -3.845   7.829  -2.995
  842   HBB2  HEM 129          HBB2      HEM 129  -3.006   6.922  -1.594
  843   HMC1  HEM 129          HMC1      HEM 129  -8.036  10.618   1.725
  844   HMC2  HEM 129          HMC2      HEM 129  -6.828   9.768   0.757
  845   HMC3  HEM 129          HMC3      HEM 129  -6.346  10.897   2.070
  846   HBC1  HEM 129          HBC1      HEM 129  -9.732  13.546   3.118
  847   HBC2  HEM 129          HBC2      HEM 129  -7.952  13.047   3.020
  848   HMD1  HEM 129          HMD1      HEM 129  -9.701  17.292  -1.252
  849   HMD2  HEM 129          HMD2      HEM 129  -9.887  18.472  -2.694
  850   HMD3  HEM 129          HMD3      HEM 129  -8.660  18.224  -1.844
  851   HAD1  HEM 129          HAD1      HEM 129  -8.189  19.139  -5.086
  852   HAD2  HEM 129          HAD2      HEM 129  -7.289  18.138  -5.711
  853   HBD1  HEM 129          HBD1      HEM 129  -8.215  16.734  -6.971
  854   HBD2  HEM 129          HBD2      HEM 129  -8.602  18.416  -7.399
  Start of MODEL    4
    1    HA   MET  21           HA       MET  21   5.382 -15.741   9.915
    2    H1   MET  21           1H       MET  21   7.712 -14.544   8.660
    3    HB2  MET  21           HB2      MET  21   5.646 -13.261   9.355
    4    HB3  MET  21           HB3      MET  21   5.395 -13.724   7.677
    5    HG2  MET  21           HG2      MET  21   3.323 -12.963   8.559
    6    HG3  MET  21           HG3      MET  21   3.214 -14.706   8.335
    7    HE1  MET  21           HE3      MET  21   0.999 -13.905  11.506
    8    HE2  MET  21           HE1      MET  21   1.295 -12.760  10.198
    9    HE3  MET  21           HE2      MET  21   0.993 -14.460   9.832
   10    H    ALA  22           HN       ALA  22   5.972 -14.966   6.505
   11    HA   ALA  22           HA       ALA  22   4.902 -17.620   5.792
   12    HB1  ALA  22           HB3      ALA  22   4.010 -16.627   3.762
   13    HB2  ALA  22           HB1      ALA  22   3.418 -15.744   5.170
   14    HB3  ALA  22           HB2      ALA  22   4.718 -15.068   4.193
   15    H    GLU  23           HN       GLU  23   6.682 -18.794   5.453
   16    HA   GLU  23           HA       GLU  23   8.630 -19.555   4.626
   17    HB2  GLU  23           HB2      GLU  23   7.980 -17.707   2.320
   18    HB3  GLU  23           HB3      GLU  23   9.201 -18.978   2.290
   19    HG2  GLU  23           HG2      GLU  23   7.394 -20.615   2.820
   20    HG3  GLU  23           HG3      GLU  23   6.229 -19.313   2.603
   21    H    GLN  24           HN       GLN  24  10.593 -18.026   2.998
   22    HA   GLN  24           HA       GLN  24  11.469 -16.205   5.125
   23    HB2  GLN  24           HB2      GLN  24  13.738 -17.168   5.022
   24    HB3  GLN  24           HB3      GLN  24  12.535 -18.315   5.585
   25    HG2  GLN  24           HG2      GLN  24  12.471 -19.291   3.311
   26    HG3  GLN  24           HG3      GLN  24  13.766 -18.196   2.841
   27   HE21  GLN  24          HE21      GLN  24  12.918 -21.015   4.673
   28   HE22  GLN  24          HE22      GLN  24  14.532 -21.522   5.027
   29    H    SER  25           HN       SER  25  11.428 -16.959   1.762
   30    HA   SER  25           HA       SER  25  13.691 -15.972   0.686
   31    HG   SER  25           HG       SER  25  10.250 -14.961  -0.850
   32    HB2  SER  25           HB2      SER  25  12.260 -15.356  -1.316
   33    HB3  SER  25           HB3      SER  25  12.063 -17.001  -0.711
   34    H    ASP  26           HN       ASP  26  10.774 -14.004   0.927
   35    HA   ASP  26           HA       ASP  26  12.243 -11.662   1.728
   36    HB2  ASP  26           HB2      ASP  26  11.224 -10.333  -0.204
   37    HB3  ASP  26           HB3      ASP  26  12.587 -11.373  -0.596
   38    H    GLU  27           HN       GLU  27   9.844 -13.634   2.126
   39    HA   GLU  27           HA       GLU  27   7.828 -13.675   3.086
   40    HB2  GLU  27           HB2      GLU  27   8.399 -10.800   3.833
   41    HB3  GLU  27           HB3      GLU  27   7.166 -11.836   4.552
   42    HG2  GLU  27           HG2      GLU  27   8.962 -13.388   5.265
   43    HG3  GLU  27           HG3      GLU  27  10.145 -12.237   4.664
   44    H    ALA  28           HN       ALA  28   8.319 -12.681   0.320
   45    HA   ALA  28           HA       ALA  28   7.005 -12.508  -1.489
   46    HB1  ALA  28           HB3      ALA  28   4.683 -13.122  -1.317
   47    HB2  ALA  28           HB1      ALA  28   5.654 -14.163  -0.278
   48    HB3  ALA  28           HB2      ALA  28   4.708 -12.852   0.424
   49    H    VAL  29           HN       VAL  29   4.468 -11.400  -1.854
   50    HA   VAL  29           HA       VAL  29   4.898  -8.716  -2.314
   51    HB   VAL  29           HB       VAL  29   2.237 -10.051  -1.730
   52   HG11  VAL  29          HG11      VAL  29   2.840  -7.564  -3.325
   53   HG12  VAL  29          HG12      VAL  29   1.256  -8.319  -3.134
   54   HG13  VAL  29          HG13      VAL  29   2.066  -7.615  -1.739
   55   HG21  VAL  29          HG23      VAL  29   2.083 -10.351  -4.160
   56   HG22  VAL  29          HG21      VAL  29   3.727  -9.737  -4.329
   57   HG23  VAL  29          HG22      VAL  29   3.431 -11.246  -3.463
   58    H    LYS  30           HN       LYS  30   4.673  -6.850  -1.111
   59    HA   LYS  30           HA       LYS  30   5.004  -7.390   1.701
   60    HB2  LYS  30           HB2      LYS  30   5.256  -4.748   0.271
   61    HB3  LYS  30           HB3      LYS  30   5.859  -5.143   1.879
   62    HG2  LYS  30           HG2      LYS  30   7.296  -6.884   0.822
   63    HG3  LYS  30           HG3      LYS  30   6.791  -6.261  -0.748
   64    HD2  LYS  30           HD2      LYS  30   7.758  -4.101  -0.232
   65    HD3  LYS  30           HD3      LYS  30   8.198  -4.663   1.385
   66    HE2  LYS  30           HE2      LYS  30   9.256  -5.666  -1.253
   67    HE3  LYS  30           HE3      LYS  30  10.148  -4.798  -0.006
   68    HZ1  LYS  30           HZ3      LYS  30  10.632  -7.146   0.081
   69    HZ2  LYS  30           HZ1      LYS  30   8.992  -7.521   0.254
   70    HZ3  LYS  30           HZ2      LYS  30   9.804  -6.685   1.486
   71    H    TYR  31           HN       TYR  31   3.127  -7.711   2.716
   72    HA   TYR  31           HA       TYR  31   0.992  -5.756   2.337
   73    HD1  TYR  31           HD2      TYR  31  -0.603  -7.235   0.809
   74    HD2  TYR  31           HD1      TYR  31   1.391 -10.201   3.123
   75    HE1  TYR  31           HE2      TYR  31  -0.812  -8.825  -1.055
   76    HE2  TYR  31           HE1      TYR  31   1.187 -11.795   1.263
   77    HH   TYR  31           HH       TYR  31   0.328 -10.882  -1.867
   78    HB2  TYR  31           HB2      TYR  31   0.877  -8.192   4.111
   79    HB3  TYR  31           HB3      TYR  31  -0.461  -7.256   3.469
   80    H    TYR  32           HN       TYR  32   0.035  -4.664   4.153
   81    HA   TYR  32           HA       TYR  32   1.537  -4.890   6.678
   82    HD1  TYR  32           HD1      TYR  32   3.229  -2.727   7.683
   83    HD2  TYR  32           HD2      TYR  32   1.875  -2.219   3.682
   84    HE1  TYR  32           HE1      TYR  32   5.504  -2.090   7.002
   85    HE2  TYR  32           HE2      TYR  32   4.144  -1.580   2.987
   86    HH   TYR  32           HH       TYR  32   6.874  -1.980   5.030
   87    HB2  TYR  32           HB2      TYR  32   0.288  -2.407   5.474
   88    HB3  TYR  32           HB3      TYR  32   0.826  -2.515   7.152
   89    H    THR  33           HN       THR  33   0.214  -4.711   8.635
   90    HA   THR  33           HA       THR  33  -2.263  -6.124   8.161
   91    HB   THR  33           HB       THR  33  -2.483  -6.207  10.632
   92    HG1  THR  33           HG1      THR  33  -0.007  -4.773  10.552
   93   HG21  THR  33          HG23      THR  33   0.220  -7.049   9.579
   94   HG22  THR  33          HG21      THR  33  -1.276  -7.974   9.440
   95   HG23  THR  33          HG22      THR  33  -0.564  -7.675  11.029
   96    H    LEU  34           HN       LEU  34  -4.341  -5.468   8.812
   97    HA   LEU  34           HA       LEU  34  -5.060  -2.885   8.132
   98    HG   LEU  34           HG       LEU  34  -7.519  -2.536   9.982
   99    HB2  LEU  34           HB2      LEU  34  -6.604  -4.792   8.196
  100    HB3  LEU  34           HB3      LEU  34  -6.509  -4.824   9.946
  101   HD11  LEU  34          HD11      LEU  34  -7.873  -3.065   7.035
  102   HD12  LEU  34          HD12      LEU  34  -8.649  -1.762   7.935
  103   HD13  LEU  34          HD13      LEU  34  -6.895  -1.794   7.769
  104   HD21  LEU  34          HD23      LEU  34  -9.793  -3.292   9.426
  105   HD22  LEU  34          HD21      LEU  34  -9.110  -4.712   8.632
  106   HD23  LEU  34          HD22      LEU  34  -8.900  -4.487  10.368
  107    H    GLU  35           HN       GLU  35  -4.550  -4.292  11.323
  108    HA   GLU  35           HA       GLU  35  -5.612  -2.123  12.772
  109    HB2  GLU  35           HB2      GLU  35  -4.656  -3.303  14.746
  110    HB3  GLU  35           HB3      GLU  35  -5.688  -4.300  13.735
  111    HG2  GLU  35           HG2      GLU  35  -3.760  -5.370  12.757
  112    HG3  GLU  35           HG3      GLU  35  -2.680  -4.304  13.657
  113    H    GLU  36           HN       GLU  36  -2.453  -2.781  11.548
  114    HA   GLU  36           HA       GLU  36  -1.096  -1.066  13.427
  115    HB2  GLU  36           HB2      GLU  36   0.904  -1.677  12.340
  116    HB3  GLU  36           HB3      GLU  36  -0.096  -3.123  12.299
  117    HG2  GLU  36           HG2      GLU  36  -0.668  -2.702   9.991
  118    HG3  GLU  36           HG3      GLU  36   0.235  -1.189  10.020
  119    H    ILE  37           HN       ILE  37  -2.478  -0.877  10.268
  120    HA   ILE  37           HA       ILE  37  -1.282   1.606   9.538
  121    HB   ILE  37           HB       ILE  37  -3.764   0.259   8.459
  122   HG12  ILE  37          HG12      ILE  37  -0.938   0.306   7.370
  123   HG13  ILE  37          HG13      ILE  37  -1.623  -1.035   8.277
  124   HG21  ILE  37          HG21      ILE  37  -2.126   2.541   7.358
  125   HG22  ILE  37          HG22      ILE  37  -3.382   1.683   6.466
  126   HG23  ILE  37          HG23      ILE  37  -3.798   2.610   7.910
  127   HD11  ILE  37          HD13      ILE  37  -1.683  -1.522   5.931
  128   HD12  ILE  37          HD11      ILE  37  -3.331  -1.295   6.518
  129   HD13  ILE  37          HD12      ILE  37  -2.538  -0.015   5.600
  130    H    GLN  38           HN       GLN  38  -3.851   0.632  11.541
  131    HA   GLN  38           HA       GLN  38  -5.367   3.035  11.602
  132    HB2  GLN  38           HB2      GLN  38  -5.066   0.751  13.548
  133    HB3  GLN  38           HB3      GLN  38  -6.208   2.071  13.774
  134    HG2  GLN  38           HG2      GLN  38  -6.197   0.491  11.242
  135    HG3  GLN  38           HG3      GLN  38  -7.009  -0.123  12.681
  136   HE21  GLN  38          HE21      GLN  38  -6.909   2.522  10.353
  137   HE22  GLN  38          HE22      GLN  38  -8.551   3.028  10.612
  138    H    LYS  39           HN       LYS  39  -2.442   1.978  13.127
  139    HA   LYS  39           HA       LYS  39  -2.405   4.363  14.830
  140    HB2  LYS  39           HB2      LYS  39  -0.470   3.197  15.957
  141    HB3  LYS  39           HB3      LYS  39  -2.031   2.405  16.114
  142    HG2  LYS  39           HG2      LYS  39  -1.349   0.927  14.200
  143    HG3  LYS  39           HG3      LYS  39   0.268   1.614  14.361
  144    HD2  LYS  39           HD2      LYS  39   0.124  -0.487  15.579
  145    HD3  LYS  39           HD3      LYS  39   0.335   0.857  16.702
  146    HE2  LYS  39           HE2      LYS  39  -2.006   0.833  17.253
  147    HE3  LYS  39           HE3      LYS  39  -2.326  -0.376  16.013
  148    HZ1  LYS  39           HZ3      LYS  39  -2.098  -1.094  18.461
  149    HZ2  LYS  39           HZ1      LYS  39  -0.430  -0.972  18.185
  150    HZ3  LYS  39           HZ2      LYS  39  -1.363  -2.037  17.256
  151    H    HIS  40           HN       HIS  40  -1.514   3.417  11.874
  152    HA   HIS  40           HA       HIS  40   0.777   5.263  11.740
  153    HD1  HIS  40           HD1      HIS  40   1.044   0.942  10.114
  154    HD2  HIS  40           HD2      HIS  40   3.051   4.099  11.928
  155    HE1  HIS  40           HE1      HIS  40   3.016  -0.094  11.266
  156    HE2  HIS  40           HE2      HIS  40   4.308   1.850  12.232
  157    HB2  HIS  40           HB2      HIS  40  -0.152   3.114   9.813
  158    HB3  HIS  40           HB3      HIS  40   1.086   4.289   9.418
  159    H    ASN  41           HN       ASN  41  -1.553   6.345  12.247
  160    HA   ASN  41           HA       ASN  41  -2.909   7.136   9.751
  161    HB2  ASN  41           HB2      ASN  41  -4.848   7.533  11.151
  162    HB3  ASN  41           HB3      ASN  41  -4.221   5.928  11.503
  163   HD21  ASN  41          HD21      ASN  41  -5.857   7.744  13.121
  164   HD22  ASN  41          HD22      ASN  41  -4.993   7.955  14.604
  165    H    HIS  42           HN       HIS  42  -0.525   8.297  11.556
  166    HA   HIS  42           HA       HIS  42  -1.704  10.954  12.054
  167    HD1  HIS  42           HD1      HIS  42   2.085  10.931  14.149
  168    HD2  HIS  42           HD2      HIS  42   0.183   7.245  13.942
  169    HE1  HIS  42           HE1      HIS  42   3.915   9.217  14.357
  170    HE2  HIS  42           HE2      HIS  42   2.692   7.021  14.565
  171    HB2  HIS  42           HB2      HIS  42  -0.446  11.112  14.112
  172    HB3  HIS  42           HB3      HIS  42  -1.377   9.617  14.134
  173    H    SER  43           HN       SER  43  -0.120  12.699  12.263
  174    HA   SER  43           HA       SER  43   1.003  13.453  10.017
  175    HG   SER  43           HG       SER  43   0.260  15.556  11.862
  176    HB2  SER  43           HB2      SER  43   2.443  14.009  12.603
  177    HB3  SER  43           HB3      SER  43   2.233  15.086  11.220
  178    H    LYS  44           HN       LYS  44   3.177  12.081  12.486
  179    HA   LYS  44           HA       LYS  44   5.421  12.110  10.751
  180    HB2  LYS  44           HB2      LYS  44   4.895  11.012  13.492
  181    HB3  LYS  44           HB3      LYS  44   6.432  10.735  12.691
  182    HG2  LYS  44           HG2      LYS  44   5.220  13.425  13.297
  183    HG3  LYS  44           HG3      LYS  44   6.530  12.654  14.192
  184    HD2  LYS  44           HD2      LYS  44   7.947  12.710  12.223
  185    HD3  LYS  44           HD3      LYS  44   6.634  13.404  11.269
  186    HE2  LYS  44           HE2      LYS  44   6.640  15.386  12.699
  187    HE3  LYS  44           HE3      LYS  44   7.937  14.690  13.671
  188    HZ1  LYS  44           HZ3      LYS  44   8.802  16.277  12.080
  189    HZ2  LYS  44           HZ1      LYS  44   8.116  15.412  10.789
  190    HZ3  LYS  44           HZ2      LYS  44   9.363  14.718  11.700
  191    H    SER  45           HN       SER  45   2.910  10.122  10.438
  192    HA   SER  45           HA       SER  45   4.390   7.913   9.326
  193    HG   SER  45           HG       SER  45   5.363   7.907  11.458
  194    HB2  SER  45           HB2      SER  45   2.690   7.509  11.805
  195    HB3  SER  45           HB3      SER  45   3.440   6.231  10.866
  196    H    THR  46           HN       THR  46   2.629   9.593   8.041
  197    HA   THR  46           HA       THR  46  -0.114   8.825   8.567
  198    HB   THR  46           HB       THR  46   0.824  10.766   6.456
  199    HG1  THR  46           HG1      THR  46   1.681  11.468   8.431
  200   HG21  THR  46          HG23      THR  46  -1.373  11.781   6.823
  201   HG22  THR  46          HG21      THR  46  -1.742  10.547   8.030
  202   HG23  THR  46          HG22      THR  46  -1.527  10.092   6.341
  203    H    TRP  47           HN       TRP  47  -0.302   6.710   7.759
  204    HA   TRP  47           HA       TRP  47   0.017   6.408   4.863
  205    HD1  TRP  47           HD1      TRP  47   2.223   6.269   5.743
  206    HE1  TRP  47           HE1      TRP  47   4.418   5.075   6.360
  207    HE3  TRP  47           HE3      TRP  47   0.311   1.720   7.075
  208    HZ2  TRP  47           HZ2      TRP  47   5.228   2.520   7.299
  209    HZ3  TRP  47           HZ3      TRP  47   1.854  -0.045   7.809
  210    HH2  TRP  47           HH2      TRP  47   4.257   0.346   7.916
  211    HB2  TRP  47           HB2      TRP  47  -0.680   4.329   6.953
  212    HB3  TRP  47           HB3      TRP  47  -0.470   4.009   5.239
  213    H    LEU  48           HN       LEU  48  -1.800   5.113   3.782
  214    HA   LEU  48           HA       LEU  48  -4.354   5.129   5.095
  215    HG   LEU  48           HG       LEU  48  -4.395   5.870   1.509
  216    HB2  LEU  48           HB2      LEU  48  -5.585   6.532   3.678
  217    HB3  LEU  48           HB3      LEU  48  -4.147   7.453   4.061
  218   HD11  LEU  48          HD11      LEU  48  -6.258   7.459   1.638
  219   HD12  LEU  48          HD12      LEU  48  -5.117   8.765   1.965
  220   HD13  LEU  48          HD13      LEU  48  -5.083   7.937   0.410
  221   HD21  LEU  48          HD23      LEU  48  -2.680   8.223   2.293
  222   HD22  LEU  48          HD21      LEU  48  -2.143   6.548   2.164
  223   HD23  LEU  48          HD22      LEU  48  -2.684   7.416   0.726
  224    H    ILE  49           HN       ILE  49  -6.082   4.348   3.408
  225    HA   ILE  49           HA       ILE  49  -4.819   2.515   1.473
  226    HB   ILE  49           HB       ILE  49  -7.277   1.874   3.123
  227   HG12  ILE  49          HG12      ILE  49  -4.475   0.760   3.409
  228   HG13  ILE  49          HG13      ILE  49  -5.198   1.941   4.492
  229   HG21  ILE  49          HG21      ILE  49  -5.629   0.152   1.271
  230   HG22  ILE  49          HG22      ILE  49  -7.017  -0.382   2.217
  231   HG23  ILE  49          HG23      ILE  49  -7.233   0.802   0.927
  232   HD11  ILE  49          HD13      ILE  49  -6.889   0.328   5.146
  233   HD12  ILE  49          HD11      ILE  49  -6.209  -0.854   4.030
  234   HD13  ILE  49          HD12      ILE  49  -5.266  -0.311   5.418
  235    H    LEU  50           HN       LEU  50  -5.608   2.792  -0.559
  236    HA   LEU  50           HA       LEU  50  -8.027   4.427  -0.826
  237    HG   LEU  50           HG       LEU  50  -5.630   6.047  -1.217
  238    HB2  LEU  50           HB2      LEU  50  -5.623   4.035  -2.529
  239    HB3  LEU  50           HB3      LEU  50  -7.135   4.477  -3.306
  240   HD11  LEU  50          HD11      LEU  50  -5.502   7.740  -2.951
  241   HD12  LEU  50          HD12      LEU  50  -4.798   6.223  -3.514
  242   HD13  LEU  50          HD13      LEU  50  -6.407   6.704  -4.056
  243   HD21  LEU  50          HD23      LEU  50  -7.473   7.712  -1.472
  244   HD22  LEU  50          HD21      LEU  50  -8.386   6.487  -2.360
  245   HD23  LEU  50          HD22      LEU  50  -7.961   6.216  -0.671
  246    H    HIS  51           HN       HIS  51  -7.160   1.277  -0.902
  247    HA   HIS  51           HA       HIS  51  -9.613   0.393  -1.872
  248    HD1  HIS  51           HD1      HIS  51  -7.201  -0.944  -5.941
  249    HD2  HIS  51           HD2      HIS  51  -5.936   1.666  -2.955
  250    HE1  HIS  51           HE1      HIS  51  -4.824  -0.339  -6.514
  251    HE2  HIS  51           HE2      HIS  51  -4.189   1.424  -4.840
  252    HB2  HIS  51           HB2      HIS  51  -8.756  -0.884  -3.918
  253    HB3  HIS  51           HB3      HIS  51  -9.068   0.827  -4.110
  254    H    HIS  52           HN       HIS  52  -6.499  -1.208  -2.508
  255    HA   HIS  52           HA       HIS  52  -6.797  -2.692  -0.018
  256    HD1  HIS  52           HD1      HIS  52  -7.924  -5.692   0.354
  257    HD2  HIS  52           HD2      HIS  52  -9.520  -3.439  -2.750
  258    HE1  HIS  52           HE1      HIS  52 -10.404  -6.066   0.450
  259    HE2  HIS  52           HE2      HIS  52 -11.348  -4.489  -1.259
  260    HB2  HIS  52           HB2      HIS  52  -6.747  -3.952  -2.746
  261    HB3  HIS  52           HB3      HIS  52  -6.157  -4.825  -1.336
  262    H    LYS  53           HN       LYS  53  -5.056  -0.677  -1.472
  263    HA   LYS  53           HA       LYS  53  -2.471  -1.926  -0.849
  264    HB2  LYS  53           HB2      LYS  53  -3.059   0.302  -2.807
  265    HB3  LYS  53           HB3      LYS  53  -1.450  -0.215  -2.336
  266    HG2  LYS  53           HG2      LYS  53  -3.132  -2.382  -3.336
  267    HG3  LYS  53           HG3      LYS  53  -2.825  -1.098  -4.500
  268    HD2  LYS  53           HD2      LYS  53  -0.390  -1.299  -3.937
  269    HD3  LYS  53           HD3      LYS  53  -0.798  -2.749  -3.022
  270    HE2  LYS  53           HE2      LYS  53  -1.600  -3.847  -4.999
  271    HE3  LYS  53           HE3      LYS  53  -1.441  -2.365  -5.943
  272    HZ1  LYS  53           HZ3      LYS  53   0.399  -3.938  -6.321
  273    HZ2  LYS  53           HZ1      LYS  53   0.824  -3.823  -4.678
  274    HZ3  LYS  53           HZ2      LYS  53   0.938  -2.468  -5.685
  275    H    VAL  54           HN       VAL  54  -1.160  -0.746   0.578
  276    HA   VAL  54           HA       VAL  54  -2.472   1.523   1.879
  277    HB   VAL  54           HB       VAL  54  -1.597  -0.160   3.380
  278   HG11  VAL  54          HG11      VAL  54   1.094   0.340   2.127
  279   HG12  VAL  54          HG12      VAL  54   0.788  -0.664   3.543
  280   HG13  VAL  54          HG13      VAL  54   0.123  -1.124   1.974
  281   HG21  VAL  54          HG23      VAL  54  -1.491   2.182   4.098
  282   HG22  VAL  54          HG21      VAL  54  -0.200   1.215   4.814
  283   HG23  VAL  54          HG22      VAL  54   0.144   2.296   3.460
  284    H    TYR  55           HN       TYR  55  -1.704   3.583   1.778
  285    HA   TYR  55           HA       TYR  55   0.682   4.047   0.095
  286    HD1  TYR  55           HD2      TYR  55  -2.744   3.359  -0.357
  287    HD2  TYR  55           HD1      TYR  55  -0.502   6.002  -2.821
  288    HE1  TYR  55           HE2      TYR  55  -3.719   2.314  -2.349
  289    HE2  TYR  55           HE1      TYR  55  -1.473   4.964  -4.825
  290    HH   TYR  55           HH       TYR  55  -2.573   3.049  -5.561
  291    HB2  TYR  55           HB2      TYR  55  -1.776   5.799   0.366
  292    HB3  TYR  55           HB3      TYR  55  -0.336   6.222  -0.546
  293    H    ASP  56           HN       ASP  56   1.772   6.159   0.598
  294    HA   ASP  56           HA       ASP  56   1.420   6.944   3.421
  295    HB2  ASP  56           HB2      ASP  56   3.516   5.752   3.284
  296    HB3  ASP  56           HB3      ASP  56   4.004   6.666   1.862
  297    H    LEU  57           HN       LEU  57   1.399   9.158   3.833
  298    HA   LEU  57           HA       LEU  57   1.956  10.873   1.497
  299    HG   LEU  57           HG       LEU  57  -1.578  11.924   2.429
  300    HB2  LEU  57           HB2      LEU  57   0.430  11.781   3.933
  301    HB3  LEU  57           HB3      LEU  57   0.644  12.635   2.431
  302   HD11  LEU  57          HD11      LEU  57  -0.533  11.599   0.300
  303   HD12  LEU  57          HD12      LEU  57   0.011   9.987   0.771
  304   HD13  LEU  57          HD13      LEU  57  -1.709  10.315   0.581
  305   HD21  LEU  57          HD23      LEU  57  -0.684   9.131   3.116
  306   HD22  LEU  57          HD21      LEU  57  -1.399  10.278   4.249
  307   HD23  LEU  57          HD22      LEU  57  -2.343   9.680   2.884
  308    H    THR  58           HN       THR  58   1.866  11.282   4.991
  309    HA   THR  58           HA       THR  58   3.218  12.252   6.491
  310    HB   THR  58           HB       THR  58   5.291  10.780   4.887
  311    HG1  THR  58           HG1      THR  58   4.227   9.120   5.700
  312   HG21  THR  58          HG23      THR  58   6.645  10.791   6.914
  313   HG22  THR  58          HG21      THR  58   5.413  11.732   7.753
  314   HG23  THR  58          HG22      THR  58   6.307  12.446   6.410
  315    H    LYS  59           HN       LYS  59   5.401  12.478   3.703
  316    HA   LYS  59           HA       LYS  59   6.056  15.207   4.414
  317    HB2  LYS  59           HB2      LYS  59   7.038  13.340   2.247
  318    HB3  LYS  59           HB3      LYS  59   7.626  14.985   2.444
  319    HG2  LYS  59           HG2      LYS  59   8.420  14.438   4.691
  320    HG3  LYS  59           HG3      LYS  59   7.827  12.790   4.504
  321    HD2  LYS  59           HD2      LYS  59   9.858  14.017   2.646
  322    HD3  LYS  59           HD3      LYS  59  10.307  13.155   4.116
  323    HE2  LYS  59           HE2      LYS  59   8.654  11.969   1.885
  324    HE3  LYS  59           HE3      LYS  59  10.395  11.767   2.052
  325    HZ1  LYS  59           HZ3      LYS  59  10.083  10.630   4.118
  326    HZ2  LYS  59           HZ1      LYS  59   9.105   9.891   2.951
  327    HZ3  LYS  59           HZ2      LYS  59   8.416  10.922   4.097
  328    H    PHE  60           HN       PHE  60   3.900  13.541   2.404
  329    HA   PHE  60           HA       PHE  60   3.855  15.303   0.188
  330    HD1  PHE  60           HD2      PHE  60   3.787  14.528  -1.950
  331    HD2  PHE  60           HD1      PHE  60  -0.075  13.426  -0.532
  332    HE1  PHE  60           HE2      PHE  60   2.835  14.991  -4.171
  333    HE2  PHE  60           HE1      PHE  60  -1.030  13.883  -2.748
  334    HZ   PHE  60           HZ       PHE  60   0.469  14.664  -4.595
  335    HB2  PHE  60           HB2      PHE  60   3.227  12.865   0.167
  336    HB3  PHE  60           HB3      PHE  60   1.701  13.326   0.916
  337    H    LEU  61           HN       LEU  61   2.746  15.707   3.223
  338    HA   LEU  61           HA       LEU  61   0.054  16.373   3.031
  339    HG   LEU  61           HG       LEU  61   1.870  14.778   5.129
  340    HB2  LEU  61           HB2      LEU  61   2.109  17.179   5.085
  341    HB3  LEU  61           HB3      LEU  61   0.384  17.405   5.275
  342   HD11  LEU  61          HD11      LEU  61   0.220  16.053   7.307
  343   HD12  LEU  61          HD12      LEU  61   0.979  14.462   7.376
  344   HD13  LEU  61          HD13      LEU  61   1.977  15.913   7.285
  345   HD21  LEU  61          HD23      LEU  61  -0.304  13.698   5.406
  346   HD22  LEU  61          HD21      LEU  61  -1.105  15.265   5.270
  347   HD23  LEU  61          HD22      LEU  61  -0.226  14.601   3.893
  348    H    GLU  62           HN       GLU  62   2.903  18.361   2.602
  349    HA   GLU  62           HA       GLU  62   1.256  20.789   2.519
  350    HB2  GLU  62           HB2      GLU  62   3.487  21.962   2.553
  351    HB3  GLU  62           HB3      GLU  62   3.121  21.012   3.984
  352    HG2  GLU  62           HG2      GLU  62   4.563  19.225   3.198
  353    HG3  GLU  62           HG3      GLU  62   4.894  20.124   1.720
  354    H    GLU  63           HN       GLU  63   2.225  18.483   0.488
  355    HA   GLU  63           HA       GLU  63   2.936  20.234  -1.769
  356    HB2  GLU  63           HB2      GLU  63   4.489  18.376  -1.181
  357    HB3  GLU  63           HB3      GLU  63   3.192  17.228  -1.468
  358    HG2  GLU  63           HG2      GLU  63   4.468  17.154  -3.411
  359    HG3  GLU  63           HG3      GLU  63   3.102  18.184  -3.833
  360    H    HIS  64           HN       HIS  64   0.463  18.344  -0.420
  361    HA   HIS  64           HA       HIS  64  -0.902  17.846  -2.901
  362    HD1  HIS  64           HD1      HIS  64  -4.277  17.314  -0.095
  363    HD2  HIS  64           HD2      HIS  64  -2.573  15.104  -3.235
  364    HE1  HIS  64           HE1      HIS  64  -6.180  16.031  -1.210
  365    HB2  HIS  64           HB3      HIS  64  -0.913  16.172  -1.105
  366    HB3  HIS  64           HB2      HIS  64  -1.715  17.281  -0.035
  367    HA   PRO  65           HA       PRO  65  -3.060  21.722  -2.686
  368    HB2  PRO  65           HB2      PRO  65  -5.098  20.786  -4.498
  369    HB3  PRO  65           HB3      PRO  65  -3.721  21.833  -4.836
  370    HG2  PRO  65           HG2      PRO  65  -4.003  19.268  -5.795
  371    HG3  PRO  65           HG3      PRO  65  -2.455  20.114  -5.624
  372    HD2  PRO  65           HD2      PRO  65  -3.696  18.045  -3.877
  373    HD3  PRO  65           HD3      PRO  65  -1.987  18.303  -4.286
  374    H    GLY  66           HN       GLY  66  -4.518  18.805  -1.720
  375    HA2  GLY  66           HA1      GLY  66  -7.179  19.945  -1.394
  376    HA3  GLY  66           HA2      GLY  66  -6.741  18.258  -1.214
  377    H    GLY  67           HN       GLY  67  -4.458  19.847   0.507
  378    HA2  GLY  67           HA1      GLY  67  -4.967  21.164   2.579
  379    HA3  GLY  67           HA2      GLY  67  -6.143  19.908   2.928
  380    H    GLU  68           HN       GLU  68  -4.580  20.325   4.874
  381    HA   GLU  68           HA       GLU  68  -2.492  18.230   4.828
  382    HB2  GLU  68           HB2      GLU  68  -1.606  20.485   5.314
  383    HB3  GLU  68           HB3      GLU  68  -2.767  20.665   6.620
  384    HG2  GLU  68           HG2      GLU  68  -1.605  18.461   7.495
  385    HG3  GLU  68           HG3      GLU  68  -0.275  19.048   6.501
  386    H    GLU  69           HN       GLU  69  -4.869  19.895   6.746
  387    HA   GLU  69           HA       GLU  69  -4.767  18.198   9.000
  388    HB2  GLU  69           HB2      GLU  69  -6.673  19.552   9.799
  389    HB3  GLU  69           HB3      GLU  69  -5.338  20.532   9.220
  390    HG2  GLU  69           HG2      GLU  69  -7.814  19.924   7.619
  391    HG3  GLU  69           HG3      GLU  69  -7.580  21.377   8.585
  392    H    VAL  70           HN       VAL  70  -6.845  18.307   6.175
  393    HA   VAL  70           HA       VAL  70  -8.724  16.446   7.352
  394    HB   VAL  70           HB       VAL  70  -9.883  16.538   5.137
  395   HG11  VAL  70          HG11      VAL  70 -10.824  18.699   5.507
  396   HG12  VAL  70          HG12      VAL  70 -10.393  18.030   7.080
  397   HG13  VAL  70          HG13      VAL  70  -9.370  19.258   6.333
  398   HG21  VAL  70          HG23      VAL  70  -7.997  17.058   3.704
  399   HG22  VAL  70          HG21      VAL  70  -9.212  18.330   3.577
  400   HG23  VAL  70          HG22      VAL  70  -7.756  18.592   4.538
  401    H    LEU  71           HN       LEU  71  -5.791  16.154   5.759
  402    HA   LEU  71           HA       LEU  71  -6.224  13.603   4.541
  403    HG   LEU  71           HG       LEU  71  -3.033  14.775   3.122
  404    HB2  LEU  71           HB2      LEU  71  -3.876  15.249   5.328
  405    HB3  LEU  71           HB3      LEU  71  -3.605  13.525   5.178
  406   HD11  LEU  71          HD11      LEU  71  -5.377  12.905   2.811
  407   HD12  LEU  71          HD12      LEU  71  -4.195  13.306   1.567
  408   HD13  LEU  71          HD13      LEU  71  -3.690  12.421   3.003
  409   HD21  LEU  71          HD23      LEU  71  -5.993  15.339   2.974
  410   HD22  LEU  71          HD21      LEU  71  -4.737  16.535   3.288
  411   HD23  LEU  71          HD22      LEU  71  -4.798  15.711   1.731
  412    H    ARG  72           HN       ARG  72  -5.485  14.813   7.674
  413    HA   ARG  72           HA       ARG  72  -4.663  12.501   9.043
  414    HE   ARG  72           HE       ARG  72  -4.480  13.741  14.013
  415    HB2  ARG  72           HB2      ARG  72  -4.345  14.884   9.711
  416    HB3  ARG  72           HB3      ARG  72  -6.058  14.977  10.079
  417    HG2  ARG  72           HG2      ARG  72  -5.782  13.335  11.849
  418    HG3  ARG  72           HG3      ARG  72  -4.066  13.190  11.453
  419    HD2  ARG  72           HD2      ARG  72  -3.778  15.588  11.937
  420    HD3  ARG  72           HD3      ARG  72  -5.477  15.687  12.379
  421   HH11  ARG  72          HH12      ARG  72  -3.614  17.063  13.335
  422   HH12  ARG  72          HH11      ARG  72  -2.997  17.372  14.928
  423   HH21  ARG  72          HH22      ARG  72  -3.693  14.135  16.111
  424   HH22  ARG  72          HH21      ARG  72  -3.062  15.703  16.524
  425    H    GLU  73           HN       GLU  73  -7.658  13.387   7.828
  426    HA   GLU  73           HA       GLU  73  -9.315  12.161   9.873
  427    HB2  GLU  73           HB2      GLU  73 -10.036  14.267   8.878
  428    HB3  GLU  73           HB3      GLU  73  -9.949  13.568   7.269
  429    HG2  GLU  73           HG2      GLU  73 -11.732  11.963   7.960
  430    HG3  GLU  73           HG3      GLU  73 -11.892  12.884   9.454
  431    H    GLN  74           HN       GLN  74  -8.196  11.608   6.624
  432    HA   GLN  74           HA       GLN  74  -9.928   9.265   6.308
  433    HB2  GLN  74           HB2      GLN  74  -8.278  10.809   4.293
  434    HB3  GLN  74           HB3      GLN  74  -9.345   9.461   3.914
  435    HG2  GLN  74           HG2      GLN  74 -10.263  12.032   5.182
  436    HG3  GLN  74           HG3      GLN  74 -10.311  11.711   3.449
  437   HE21  GLN  74          HE21      GLN  74 -12.457  12.228   5.440
  438   HE22  GLN  74          HE22      GLN  74 -13.533  10.883   5.278
  439    H    ALA  75           HN       ALA  75  -6.837  10.106   7.192
  440    HA   ALA  75           HA       ALA  75  -5.444   7.867   6.000
  441    HB1  ALA  75           HB3      ALA  75  -3.492   8.718   7.173
  442    HB2  ALA  75           HB1      ALA  75  -4.318  10.027   6.326
  443    HB3  ALA  75           HB2      ALA  75  -4.505   9.847   8.072
  444    H    GLY  76           HN       GLY  76  -4.700   6.058   7.065
  445    HA2  GLY  76           HA1      GLY  76  -4.330   4.880   9.197
  446    HA3  GLY  76           HA2      GLY  76  -5.822   5.618   9.767
  447    H    GLY  77           HN       GLY  77  -7.080   5.161   7.111
  448    HA2  GLY  77           HA1      GLY  77  -7.088   2.266   6.823
  449    HA3  GLY  77           HA2      GLY  77  -8.606   2.986   7.381
  450    H    ASP  78           HN       ASP  78  -9.704   2.387   5.431
  451    HA   ASP  78           HA       ASP  78  -8.560   3.306   2.956
  452    HB2  ASP  78           HB2      ASP  78 -10.396   2.294   1.822
  453    HB3  ASP  78           HB3      ASP  78  -9.890   1.189   3.089
  454    H    ALA  79           HN       ALA  79  -9.156   5.010   1.737
  455    HA   ALA  79           HA       ALA  79 -11.110   6.863   2.936
  456    HB1  ALA  79           HB3      ALA  79  -8.734   7.531   1.199
  457    HB2  ALA  79           HB1      ALA  79  -9.847   8.681   1.937
  458    HB3  ALA  79           HB2      ALA  79  -8.800   7.697   2.954
  459    H    THR  80           HN       THR  80 -11.335   4.612   0.863
  460    HA   THR  80           HA       THR  80 -11.610   5.911  -1.666
  461    HB   THR  80           HB       THR  80 -10.821   3.617  -1.539
  462    HG1  THR  80           HG1      THR  80 -13.238   4.122  -2.940
  463   HG21  THR  80          HG23      THR  80 -13.627   2.890  -0.681
  464   HG22  THR  80          HG21      THR  80 -12.214   2.886   0.376
  465   HG23  THR  80          HG22      THR  80 -12.299   1.770  -0.986
  466    H    GLU  81           HN       GLU  81 -13.676   5.734   0.958
  467    HA   GLU  81           HA       GLU  81 -16.251   5.681  -0.042
  468    HB2  GLU  81           HB2      GLU  81 -15.767   6.034   2.318
  469    HB3  GLU  81           HB3      GLU  81 -14.968   7.556   1.970
  470    HG2  GLU  81           HG2      GLU  81 -17.006   8.210   2.829
  471    HG3  GLU  81           HG3      GLU  81 -17.256   8.322   1.091
  472    H    ASN  82           HN       ASN  82 -14.013   8.393   0.097
  473    HA   ASN  82           HA       ASN  82 -15.588  10.323  -1.205
  474    HB2  ASN  82           HB2      ASN  82 -13.673  10.884   0.231
  475    HB3  ASN  82           HB3      ASN  82 -12.576  10.113  -0.909
  476   HD21  ASN  82          HD21      ASN  82 -12.007  11.172  -2.788
  477   HD22  ASN  82          HD22      ASN  82 -12.390  12.829  -3.080
  478    H    PHE  83           HN       PHE  83 -13.345   7.925  -2.322
  479    HA   PHE  83           HA       PHE  83 -12.674   9.084  -4.808
  480    HD1  PHE  83           HD1      PHE  83 -10.018   8.464  -5.511
  481    HD2  PHE  83           HD2      PHE  83 -12.537   5.071  -6.041
  482    HE1  PHE  83           HE1      PHE  83  -8.920   7.991  -7.664
  483    HE2  PHE  83           HE2      PHE  83 -11.446   4.591  -8.192
  484    HZ   PHE  83           HZ       PHE  83  -9.637   6.051  -9.011
  485    HB2  PHE  83           HB2      PHE  83 -11.266   7.427  -3.620
  486    HB3  PHE  83           HB3      PHE  83 -12.469   6.187  -3.948
  487    H    GLU  84           HN       GLU  84 -15.271   7.042  -3.773
  488    HA   GLU  84           HA       GLU  84 -15.931   6.162  -6.447
  489    HB2  GLU  84           HB2      GLU  84 -17.268   5.694  -3.775
  490    HB3  GLU  84           HB3      GLU  84 -17.809   4.987  -5.289
  491    HG2  GLU  84           HG2      GLU  84 -15.344   4.127  -5.433
  492    HG3  GLU  84           HG3      GLU  84 -15.370   4.393  -3.690
  493    H    ASP  85           HN       ASP  85 -16.453   8.869  -4.632
  494    HA   ASP  85           HA       ASP  85 -18.998   9.528  -5.950
  495    HB2  ASP  85           HB2      ASP  85 -18.806   9.770  -3.434
  496    HB3  ASP  85           HB3      ASP  85 -17.626  11.048  -3.720
  497    H    VAL  86           HN       VAL  86 -15.737  10.708  -5.310
  498    HA   VAL  86           HA       VAL  86 -15.635  11.809  -7.969
  499    HB   VAL  86           HB       VAL  86 -16.443  13.766  -6.858
  500   HG11  VAL  86          HG11      VAL  86 -14.228  13.467  -4.836
  501   HG12  VAL  86          HG12      VAL  86 -15.434  14.753  -4.893
  502   HG13  VAL  86          HG13      VAL  86 -15.928  13.097  -4.549
  503   HG21  VAL  86          HG23      VAL  86 -14.641  15.343  -7.223
  504   HG22  VAL  86          HG21      VAL  86 -13.457  14.039  -7.167
  505   HG23  VAL  86          HG22      VAL  86 -14.636  14.110  -8.479
  506    H    GLY  87           HN       GLY  87 -13.926  10.750  -8.705
  507    HA2  GLY  87           HA1      GLY  87 -11.879   9.956  -6.741
  508    HA3  GLY  87           HA2      GLY  87 -12.346   9.009  -8.139
  509    H    HIS  88           HN       HIS  88 -11.276  12.377  -7.659
  510    HA   HIS  88           HA       HIS  88  -9.427  13.494  -8.354
  511    HD1  HIS  88           HD1      HIS  88  -8.277  10.049  -6.202
  512    HD2  HIS  88           HD2      HIS  88  -6.858  13.875  -7.056
  513    HE1  HIS  88           HE1      HIS  88  -7.185  10.908  -4.073
  514    HB2  HIS  88           HB2      HIS  88  -8.461  10.671  -8.671
  515    HB3  HIS  88           HB3      HIS  88  -7.463  12.025  -9.196
  516    H    SER  89           HN       SER  89  -7.972  13.918 -10.310
  517    HA   SER  89           HA       SER  89  -9.578  13.627 -12.735
  518    HG   SER  89           HG       SER  89  -6.652  16.236 -11.862
  519    HB2  SER  89           HB2      SER  89  -7.647  15.298 -13.485
  520    HB3  SER  89           HB3      SER  89  -9.055  15.842 -12.577
  521    H    THR  90           HN       THR  90  -8.226  11.323 -11.818
  522    HA   THR  90           HA       THR  90  -7.302   9.506 -12.804
  523    HB   THR  90           HB       THR  90  -6.911  11.249 -15.241
  524    HG1  THR  90           HG1      THR  90  -8.954  10.675 -15.769
  525   HG21  THR  90          HG23      THR  90  -5.570   9.221 -15.348
  526   HG22  THR  90          HG21      THR  90  -6.938   9.088 -16.450
  527   HG23  THR  90          HG22      THR  90  -6.968   8.245 -14.902
  528    H    ASP  91           HN       ASP  91  -5.327  12.413 -13.516
  529    HA   ASP  91           HA       ASP  91  -2.897  11.123 -13.903
  530    HB2  ASP  91           HB2      ASP  91  -3.320  13.548 -14.284
  531    HB3  ASP  91           HB3      ASP  91  -3.271  13.797 -12.539
  532    H    ALA  92           HN       ALA  92  -4.524  11.966 -10.930
  533    HA   ALA  92           HA       ALA  92  -2.349  11.427  -9.176
  534    HB1  ALA  92           HB3      ALA  92  -4.218  12.934  -8.620
  535    HB2  ALA  92           HB1      ALA  92  -5.291  11.538  -8.539
  536    HB3  ALA  92           HB2      ALA  92  -3.954  11.693  -7.397
  537    H    ARG  93           HN       ARG  93  -3.846   9.317 -11.081
  538    HA   ARG  93           HA       ARG  93  -3.853   7.097  -9.153
  539    HE   ARG  93           HE       ARG  93  -8.628   8.098 -10.408
  540    HB2  ARG  93           HB2      ARG  93  -4.703   7.262 -12.061
  541    HB3  ARG  93           HB3      ARG  93  -4.781   5.802 -11.077
  542    HG2  ARG  93           HG2      ARG  93  -6.414   6.779  -9.634
  543    HG3  ARG  93           HG3      ARG  93  -6.205   8.362 -10.387
  544    HD2  ARG  93           HD2      ARG  93  -6.942   7.202 -12.558
  545    HD3  ARG  93           HD3      ARG  93  -7.509   5.901 -11.513
  546   HH11  ARG  93          HH12      ARG  93  -8.649   6.752 -13.637
  547   HH12  ARG  93          HH11      ARG  93 -10.130   7.536 -14.093
  548   HH21  ARG  93          HH22      ARG  93 -10.587   9.132 -11.006
  549   HH22  ARG  93          HH21      ARG  93 -11.229   8.874 -12.600
  550    H    GLU  94           HN       GLU  94  -1.936   8.757 -11.261
  551    HA   GLU  94           HA       GLU  94  -0.074   6.539 -11.807
  552    HB2  GLU  94           HB2      GLU  94  -0.442   9.259 -13.086
  553    HB3  GLU  94           HB3      GLU  94   0.886   8.173 -13.473
  554    HG2  GLU  94           HG2      GLU  94  -2.028   7.527 -13.840
  555    HG3  GLU  94           HG3      GLU  94  -0.941   8.094 -15.110
  556    H    MET  95           HN       MET  95  -0.364   9.870 -10.818
  557    HA   MET  95           HA       MET  95   2.249  10.457 -10.045
  558    HB2  MET  95           HB2      MET  95   0.460  12.114 -10.367
  559    HB3  MET  95           HB3      MET  95  -0.386  11.490  -8.961
  560    HG2  MET  95           HG2      MET  95   0.701  13.525  -8.368
  561    HG3  MET  95           HG3      MET  95   1.525  12.197  -7.554
  562    HE1  MET  95           HE3      MET  95   3.382  14.149  -7.091
  563    HE2  MET  95           HE1      MET  95   4.341  14.899  -8.369
  564    HE3  MET  95           HE2      MET  95   2.641  15.327  -8.176
  565    H    SER  96           HN       SER  96  -0.206   8.582  -8.513
  566    HA   SER  96           HA       SER  96   0.798   9.004  -5.846
  567    HG   SER  96           HG       SER  96  -2.551   7.743  -7.397
  568    HB2  SER  96           HB2      SER  96  -1.137   7.570  -5.200
  569    HB3  SER  96           HB3      SER  96  -1.554   9.029  -6.090
  570    H    LYS  97           HN       LYS  97   1.531   6.934  -8.288
  571    HA   LYS  97           HA       LYS  97   1.318   4.384  -7.185
  572    HB2  LYS  97           HB2      LYS  97   3.091   5.424  -9.387
  573    HB3  LYS  97           HB3      LYS  97   2.967   3.720  -8.966
  574    HG2  LYS  97           HG2      LYS  97   0.447   4.019  -9.333
  575    HG3  LYS  97           HG3      LYS  97   0.891   5.514 -10.165
  576    HD2  LYS  97           HD2      LYS  97   2.445   4.163 -11.579
  577    HD3  LYS  97           HD3      LYS  97   1.777   2.712 -10.833
  578    HE2  LYS  97           HE2      LYS  97   0.356   4.731 -12.547
  579    HE3  LYS  97           HE3      LYS  97   0.687   3.042 -12.924
  580    HZ1  LYS  97           HZ3      LYS  97  -1.568   3.195 -12.309
  581    HZ2  LYS  97           HZ1      LYS  97  -1.225   4.110 -10.923
  582    HZ3  LYS  97           HZ2      LYS  97  -0.781   2.473 -10.990
  583    H    THR  98           HN       THR  98   3.855   6.758  -6.957
  584    HA   THR  98           HA       THR  98   5.809   4.916  -5.921
  585    HB   THR  98           HB       THR  98   6.028   7.909  -5.722
  586    HG1  THR  98           HG1      THR  98   6.915   7.664  -7.961
  587   HG21  THR  98          HG23      THR  98   8.006   5.705  -6.336
  588   HG22  THR  98          HG21      THR  98   7.839   6.565  -4.803
  589   HG23  THR  98          HG22      THR  98   8.387   7.425  -6.241
  590    H    PHE  99           HN       PHE  99   3.108   6.262  -4.655
  591    HA   PHE  99           HA       PHE  99   4.185   6.534  -1.942
  592    HD1  PHE  99           HD1      PHE  99   3.825   8.958  -0.842
  593    HD2  PHE  99           HD2      PHE  99   1.942   8.882  -4.660
  594    HE1  PHE  99           HE1      PHE  99   4.722  11.197  -1.324
  595    HE2  PHE  99           HE2      PHE  99   2.837  11.123  -5.147
  596    HZ   PHE  99           HZ       PHE  99   4.230  12.281  -3.480
  597    HB2  PHE  99           HB2      PHE  99   1.472   7.203  -3.110
  598    HB3  PHE  99           HB3      PHE  99   1.900   7.401  -1.413
  599    H    ILE 100           HN       ILE 100   2.828   4.280  -4.000
  600    HA   ILE 100           HA       ILE 100   1.253   2.795  -2.132
  601    HB   ILE 100           HB       ILE 100   2.551   1.715  -4.642
  602   HG12  ILE 100          HG12      ILE 100  -0.163   3.019  -4.344
  603   HG13  ILE 100          HG13      ILE 100   1.227   3.736  -5.155
  604   HG21  ILE 100          HG21      ILE 100   0.763   0.082  -4.592
  605   HG22  ILE 100          HG22      ILE 100   1.656   0.051  -3.073
  606   HG23  ILE 100          HG23      ILE 100   0.082   0.841  -3.152
  607   HD11  ILE 100          HD13      ILE 100   1.179   1.957  -6.821
  608   HD12  ILE 100          HD11      ILE 100  -0.200   1.225  -6.004
  609   HD13  ILE 100          HD12      ILE 100  -0.360   2.815  -6.746
  610    H    ILE 101           HN       ILE 101   2.536   2.456  -0.313
  611    HA   ILE 101           HA       ILE 101   5.236   1.511  -0.560
  612    HB   ILE 101           HB       ILE 101   5.179   1.404   1.929
  613   HG12  ILE 101          HG12      ILE 101   2.425   2.606   1.585
  614   HG13  ILE 101          HG13      ILE 101   2.753   0.977   2.173
  615   HG21  ILE 101          HG21      ILE 101   4.315   4.008   0.675
  616   HG22  ILE 101          HG22      ILE 101   5.133   3.831   2.228
  617   HG23  ILE 101          HG23      ILE 101   5.960   3.377   0.736
  618   HD11  ILE 101          HD13      ILE 101   3.900   1.899   4.108
  619   HD12  ILE 101          HD11      ILE 101   3.607   3.532   3.508
  620   HD13  ILE 101          HD12      ILE 101   2.250   2.513   3.987
  621    H    GLY 102           HN       GLY 102   2.128   0.035  -0.177
  622    HA2  GLY 102           HA1      GLY 102   3.124  -2.533  -0.699
  623    HA3  GLY 102           HA2      GLY 102   2.903  -2.376   1.036
  624    H    GLU 103           HN       GLU 103   1.434  -4.220   0.398
  625    HA   GLU 103           HA       GLU 103  -1.210  -3.217  -0.417
  626    HB2  GLU 103           HB2      GLU 103  -0.160  -6.054  -0.272
  627    HB3  GLU 103           HB3      GLU 103  -1.794  -5.613  -0.727
  628    HG2  GLU 103           HG2      GLU 103  -0.533  -6.132  -2.694
  629    HG3  GLU 103           HG3      GLU 103  -0.898  -4.413  -2.683
  630    H    LEU 104           HN       LEU 104  -2.903  -4.949   0.724
  631    HA   LEU 104           HA       LEU 104  -2.504  -4.469   3.578
  632    HG   LEU 104           HG       LEU 104  -5.246  -5.615   4.613
  633    HB2  LEU 104           HB2      LEU 104  -4.605  -3.753   2.326
  634    HB3  LEU 104           HB3      LEU 104  -5.014  -5.456   2.234
  635   HD11  LEU 104          HD11      LEU 104  -3.350  -4.192   5.235
  636   HD12  LEU 104          HD12      LEU 104  -4.262  -2.767   4.737
  637   HD13  LEU 104          HD13      LEU 104  -4.816  -3.735   6.104
  638   HD21  LEU 104          HD23      LEU 104  -6.999  -3.929   5.038
  639   HD22  LEU 104          HD21      LEU 104  -6.503  -3.080   3.572
  640   HD23  LEU 104          HD22      LEU 104  -7.171  -4.709   3.465
  641    H    HIS 105           HN       HIS 105  -2.613  -6.143   5.108
  642    HA   HIS 105           HA       HIS 105  -1.411  -8.558   4.263
  643    HD1  HIS 105           HD1      HIS 105   0.310  -6.633   7.122
  644    HD2  HIS 105           HD2      HIS 105  -0.113 -10.672   6.261
  645    HE1  HIS 105           HE1      HIS 105   2.592  -7.626   7.432
  646    HE2  HIS 105           HE2      HIS 105   2.320 -10.073   6.907
  647    HB2  HIS 105           HB2      HIS 105  -2.077  -7.279   6.766
  648    HB3  HIS 105           HB3      HIS 105  -2.447  -8.999   6.837
  649    HA   PRO 106           HA       PRO 106  -4.335 -11.902   3.486
  650    HB2  PRO 106           HB2      PRO 106  -3.493 -12.627   6.268
  651    HB3  PRO 106           HB3      PRO 106  -3.667 -13.666   4.851
  652    HG2  PRO 106           HG2      PRO 106  -1.281 -12.604   5.730
  653    HG3  PRO 106           HG3      PRO 106  -1.592 -13.153   4.077
  654    HD2  PRO 106           HD2      PRO 106  -1.065 -10.496   4.967
  655    HD3  PRO 106           HD3      PRO 106  -1.470 -11.028   3.324
  656    H    ASP 107           HN       ASP 107  -4.273 -10.410   6.630
  657    HA   ASP 107           HA       ASP 107  -6.534 -10.967   7.935
  658    HB2  ASP 107           HB2      ASP 107  -5.373  -8.202   7.508
  659    HB3  ASP 107           HB3      ASP 107  -6.507  -8.620   8.785
  660    H    ASP 108           HN       ASP 108  -6.243  -8.918   5.136
  661    HA   ASP 108           HA       ASP 108  -9.171  -8.892   4.862
  662    HB2  ASP 108           HB2      ASP 108  -8.642  -6.649   5.438
  663    HB3  ASP 108           HB3      ASP 108  -7.204  -6.652   4.414
  664    H    ARG 109           HN       ARG 109  -6.080  -8.430   3.151
  665    HA   ARG 109           HA       ARG 109  -6.946  -8.512   0.535
  666    HE   ARG 109           HE       ARG 109  -5.445 -10.233  -2.847
  667    HB2  ARG 109           HB2      ARG 109  -4.571  -8.133   1.360
  668    HB3  ARG 109           HB3      ARG 109  -4.418  -9.880   1.473
  669    HG2  ARG 109           HG2      ARG 109  -5.270  -8.607  -1.097
  670    HG3  ARG 109           HG3      ARG 109  -3.567  -8.658  -0.643
  671    HD2  ARG 109           HD2      ARG 109  -3.467 -10.967  -0.775
  672    HD3  ARG 109           HD3      ARG 109  -5.205 -11.158  -0.544
  673   HH11  ARG 109          HH12      ARG 109  -2.434 -11.758  -1.884
  674   HH12  ARG 109          HH11      ARG 109  -1.995 -12.194  -3.506
  675   HH21  ARG 109          HH22      ARG 109  -4.897 -10.862  -4.967
  676   HH22  ARG 109          HH21      ARG 109  -3.407 -11.718  -5.252
  677    HA   PRO 110           HA       PRO 110  -9.812 -11.641   0.700
  678    HB2  PRO 110           HB2      PRO 110  -8.553 -12.588  -1.840
  679    HB3  PRO 110           HB3      PRO 110 -10.265 -12.393  -1.434
  680    HG2  PRO 110           HG2      PRO 110  -8.723 -10.518  -2.782
  681    HG3  PRO 110           HG3      PRO 110 -10.243 -10.176  -1.940
  682    HD2  PRO 110           HD2      PRO 110  -7.643  -9.219  -1.273
  683    HD3  PRO 110           HD3      PRO 110  -9.136  -9.004  -0.340
  684    H    LYS 111           HN       LYS 111  -8.352 -12.461   2.549
  685    HA   LYS 111           HA       LYS 111  -6.562 -14.401   2.586
  686    HB2  LYS 111           HB2      LYS 111  -8.211 -15.463   4.459
  687    HB3  LYS 111           HB3      LYS 111  -7.191 -14.054   4.716
  688    HG2  LYS 111           HG2      LYS 111  -9.128 -12.613   4.072
  689    HG3  LYS 111           HG3      LYS 111 -10.120 -14.075   4.011
  690    HD2  LYS 111           HD2      LYS 111  -9.686 -14.491   6.354
  691    HD3  LYS 111           HD3      LYS 111  -8.594 -13.106   6.424
  692    HE2  LYS 111           HE2      LYS 111 -10.478 -11.635   5.817
  693    HE3  LYS 111           HE3      LYS 111 -11.552 -13.032   5.848
  694    HZ1  LYS 111           HZ3      LYS 111  -9.995 -12.002   8.162
  695    HZ2  LYS 111           HZ1      LYS 111 -11.045 -13.334   8.187
  696    HZ3  LYS 111           HZ2      LYS 111 -11.656 -11.781   7.909
  697    H    LEU 112           HN       LEU 112 -10.011 -15.159   2.108
  698    HA   LEU 112           HA       LEU 112  -9.197 -17.525   0.611
  699    HG   LEU 112           HG       LEU 112 -11.567 -19.320   0.970
  700    HB2  LEU 112           HB2      LEU 112  -9.610 -18.194   2.978
  701    HB3  LEU 112           HB3      LEU 112 -11.266 -17.637   2.809
  702   HD11  LEU 112          HD11      LEU 112  -9.954 -21.131   0.785
  703   HD12  LEU 112          HD12      LEU 112  -9.210 -19.586   0.372
  704   HD13  LEU 112          HD13      LEU 112  -8.898 -20.324   1.945
  705   HD21  LEU 112          HD23      LEU 112 -10.786 -20.347   3.698
  706   HD22  LEU 112          HD21      LEU 112 -12.380 -19.781   3.198
  707   HD23  LEU 112          HD22      LEU 112 -11.708 -21.253   2.495
  708    H    ASN 113           HN       ASN 113 -12.149 -15.851   1.779
  709    HA   ASN 113           HA       ASN 113 -13.136 -15.634  -0.944
  710    HB2  ASN 113           HB2      ASN 113 -13.721 -17.958  -0.185
  711    HB3  ASN 113           HB3      ASN 113 -14.671 -17.243   1.113
  712   HD21  ASN 113          HD21      ASN 113 -16.611 -16.202   0.618
  713   HD22  ASN 113          HD22      ASN 113 -17.397 -16.405  -0.911
  714    H    LYS 114           HN       LYS 114 -13.122 -13.371  -0.444
  715    HA   LYS 114           HA       LYS 114 -15.531 -12.587   0.993
  716    HB2  LYS 114           HB2      LYS 114 -14.384 -10.744   2.177
  717    HB3  LYS 114           HB3      LYS 114 -13.869 -12.334   2.717
  718    HG2  LYS 114           HG2      LYS 114 -11.785 -12.134   1.603
  719    HG3  LYS 114           HG3      LYS 114 -12.313 -10.692   0.733
  720    HD2  LYS 114           HD2      LYS 114 -11.881 -10.931   3.715
  721    HD3  LYS 114           HD3      LYS 114 -10.842 -10.078   2.568
  722    HE2  LYS 114           HE2      LYS 114 -12.699  -8.555   2.039
  723    HE3  LYS 114           HE3      LYS 114 -13.716  -9.399   3.202
  724    HZ1  LYS 114           HZ3      LYS 114 -12.910  -7.520   4.308
  725    HZ2  LYS 114           HZ1      LYS 114 -11.327  -7.726   3.739
  726    HZ3  LYS 114           HZ2      LYS 114 -11.965  -8.790   4.892
  727    HA   PRO 115           HA       PRO 115 -15.188 -10.091  -2.777
  728    HB2  PRO 115           HB2      PRO 115 -17.622 -10.861  -3.777
  729    HB3  PRO 115           HB3      PRO 115 -16.102 -11.689  -4.111
  730    HG2  PRO 115           HG2      PRO 115 -18.361 -12.594  -2.531
  731    HG3  PRO 115           HG3      PRO 115 -16.933 -13.500  -3.051
  732    HD2  PRO 115           HD2      PRO 115 -17.499 -12.299  -0.454
  733    HD3  PRO 115           HD3      PRO 115 -16.212 -13.435  -0.913
  734    HA   PRO 116           HA       PRO 116 -17.826  -7.046  -0.808
  735    HB2  PRO 116           HB2      PRO 116 -16.499  -5.013  -2.334
  736    HB3  PRO 116           HB3      PRO 116 -16.246  -5.442  -0.645
  737    HG2  PRO 116           HG2      PRO 116 -14.386  -5.802  -2.664
  738    HG3  PRO 116           HG3      PRO 116 -14.389  -6.648  -1.106
  739    HD2  PRO 116           HD2      PRO 116 -15.361  -7.586  -3.774
  740    HD3  PRO 116           HD3      PRO 116 -14.524  -8.492  -2.496
  741    H    GLU 117           HN       GLU 117 -17.821  -8.067  -3.995
  742    HA   GLU 117           HA       GLU 117 -18.758  -6.251  -5.673
  743    HB2  GLU 117           HB2      GLU 117 -19.538  -9.102  -5.319
  744    HB3  GLU 117           HB3      GLU 117 -20.441  -8.134  -6.477
  745    HG2  GLU 117           HG2      GLU 117 -18.784  -9.099  -7.768
  746    HG3  GLU 117           HG3      GLU 117 -18.142  -7.497  -7.422
  747    H    THR 118           HN       THR 118 -21.079  -8.036  -3.646
  748    HA   THR 118           HA       THR 118 -22.509  -5.573  -3.104
  749    HB   THR 118           HB       THR 118 -24.095  -7.879  -4.239
  750    HG1  THR 118           HG1      THR 118 -22.574  -5.992  -5.550
  751   HG21  THR 118          HG23      THR 118 -25.827  -6.200  -4.525
  752   HG22  THR 118          HG21      THR 118 -24.737  -4.941  -3.946
  753   HG23  THR 118          HG22      THR 118 -25.276  -6.211  -2.848
  754    H    LEU 119           HN       LEU 119 -22.075  -5.873  -0.946
  755    HA   LEU 119           HA       LEU 119 -22.979  -8.409   0.228
  756    HG   LEU 119           HG       LEU 119 -21.980  -8.143   3.007
  757    HB2  LEU 119           HB2      LEU 119 -20.537  -7.744   0.386
  758    HB3  LEU 119           HB3      LEU 119 -21.047  -6.446   1.448
  759   HD11  LEU 119          HD11      LEU 119 -22.390  -9.950   1.450
  760   HD12  LEU 119          HD12      LEU 119 -20.665 -10.079   1.105
  761   HD13  LEU 119          HD13      LEU 119 -21.276 -10.489   2.707
  762   HD21  LEU 119          HD23      LEU 119 -19.773  -7.207   3.370
  763   HD22  LEU 119          HD21      LEU 119 -19.799  -8.908   3.832
  764   HD23  LEU 119          HD22      LEU 119 -19.061  -8.423   2.305
  765    H    ILE 120           HN       ILE 120 -22.336  -5.286   1.775
  766    HA   ILE 120           HA       ILE 120 -24.819  -5.569   3.220
  767    HB   ILE 120           HB       ILE 120 -23.025  -4.903   4.600
  768   HG12  ILE 120          HG12      ILE 120 -23.716  -2.658   5.445
  769   HG13  ILE 120          HG13      ILE 120 -24.733  -2.475   4.022
  770   HG21  ILE 120          HG21      ILE 120 -21.406  -4.100   3.086
  771   HG22  ILE 120          HG22      ILE 120 -22.434  -2.757   2.583
  772   HG23  ILE 120          HG23      ILE 120 -21.744  -2.781   4.206
  773   HD11  ILE 120          HD13      ILE 120 -26.068  -4.382   4.720
  774   HD12  ILE 120          HD11      ILE 120 -25.029  -4.605   6.127
  775   HD13  ILE 120          HD12      ILE 120 -26.011  -3.147   5.978
  776    H    THR 121           HN       THR 121 -26.356  -5.282   1.683
  777    HA   THR 121           HA       THR 121 -26.583  -2.661   0.402
  778    HB   THR 121           HB       THR 121 -28.509  -4.976   0.171
  779    HG1  THR 121           HG1      THR 121 -25.971  -4.890  -0.642
  780   HG21  THR 121          HG23      THR 121 -27.888  -2.683  -1.695
  781   HG22  THR 121          HG21      THR 121 -29.276  -2.762  -0.611
  782   HG23  THR 121          HG22      THR 121 -29.120  -3.922  -1.928
  783    H    THR 122           HN       THR 122 -28.351  -4.807   2.590
  784    HA   THR 122           HA       THR 122 -29.388  -2.615   4.102
  785    HB   THR 122           HB       THR 122 -31.013  -2.621   2.248
  786    HG1  THR 122           HG1      THR 122 -32.577  -2.281   3.635
  787   HG21  THR 122          HG23      THR 122 -30.845  -4.919   1.515
  788   HG22  THR 122          HG21      THR 122 -32.521  -4.560   1.938
  789   HG23  THR 122          HG22      THR 122 -31.510  -5.491   3.044
  790    H    ILE 123           HN       ILE 123 -31.410  -3.993   5.449
  791    HA   ILE 123           HA       ILE 123 -29.840  -5.514   7.245
  792    HB   ILE 123           HB       ILE 123 -32.856  -5.398   7.063
  793   HG12  ILE 123          HG12      ILE 123 -30.981  -3.672   8.698
  794   HG13  ILE 123          HG13      ILE 123 -31.782  -3.154   7.215
  795   HG21  ILE 123          HG21      ILE 123 -32.793  -5.957   9.448
  796   HG22  ILE 123          HG22      ILE 123 -32.042  -7.216   8.468
  797   HG23  ILE 123          HG23      ILE 123 -31.036  -6.082   9.370
  798   HD11  ILE 123          HD13      ILE 123 -33.146  -3.963   9.773
  799   HD12  ILE 123          HD11      ILE 123 -32.945  -2.316   9.166
  800   HD13  ILE 123          HD12      ILE 123 -33.952  -3.463   8.284
  801    H    ASP 124           HN       ASP 124 -32.507  -6.479   5.089
  802    HA   ASP 124           HA       ASP 124 -31.298  -8.950   4.367
  803    HB2  ASP 124           HB2      ASP 124 -32.359  -9.210   6.808
  804    HB3  ASP 124           HB3      ASP 124 -33.840  -9.409   5.878
  805    H    SER 125           HN       SER 125 -33.567 -10.367   3.599
  806    HA   SER 125           HA       SER 125 -34.872  -8.462   1.776
  807    HG   SER 125           HG       SER 125 -34.333  -9.673  -0.666
  808    HB2  SER 125           HB2      SER 125 -34.123 -11.339   1.520
  809    HB3  SER 125           HB3      SER 125 -35.552 -10.781   0.655
  810    H    SER 126           HN       SER 126 -37.136  -9.513   1.054
  811    HA   SER 126           HA       SER 126 -38.587 -10.163   3.537
  812    HG   SER 126           HG       SER 126 -41.129  -9.953   2.519
  813    HB2  SER 126           HB2      SER 126 -39.155  -7.931   2.622
  814    HB3  SER 126           HB3      SER 126 -39.614  -8.679   1.094
  815    H    SER 127           HN       SER 127 -40.010 -10.212   0.369
  816    HA   SER 127           HA       SER 127 -39.789 -13.142   0.252
  817    HG   SER 127           HG       SER 127 -42.017 -12.892   1.294
  818    HB2  SER 127           HB2      SER 127 -41.853 -11.388  -1.114
  819    HB3  SER 127           HB3      SER 127 -41.850 -13.152  -1.024
  820    H    SER 128           HN       SER 128 -39.261 -10.102  -1.265
  821    HA   SER 128           HA       SER 128 -37.898 -11.404  -3.506
  822    HG   SER 128           HG       SER 128 -40.096 -10.588  -4.068
  823    HB2  SER 128           HB2      SER 128 -38.561  -8.460  -3.183
  824    HB3  SER 128           HB3      SER 128 -37.986  -9.265  -4.644
  825    HHA  HEM 129           HHA      HEM 129  -6.032  17.501  -6.604
  826    HHB  HEM 129           HHB      HEM 129  -1.804  12.694  -5.887
  827    HHC  HEM 129           HHC      HEM 129  -5.099  10.605  -0.811
  828    HHD  HEM 129           HHD      HEM 129  -9.600  15.126  -1.798
  829    HAB  HEM 129           HAB      HEM 129  -2.946   9.686  -0.631
  830    HAC  HEM 129           HAC      HEM 129 -10.520  13.400  -0.308
  831   HMA1  HEM 129          HMA1      HEM 129  -1.553  15.554  -8.549
  832   HMA2  HEM 129          HMA2      HEM 129  -0.800  14.898  -7.093
  833   HMA3  HEM 129          HMA3      HEM 129  -1.607  13.822  -8.243
  834   HAA1  HEM 129          HAA1      HEM 129  -4.405  17.812  -8.200
  835   HAA2  HEM 129          HAA2      HEM 129  -3.100  17.105  -8.366
  836   HBA1  HEM 129          HBA1      HEM 129  -2.759  16.050  -9.895
  837   HBA2  HEM 129          HBA2      HEM 129  -3.946  17.199 -10.540
  838   HMB1  HEM 129          HMB1      HEM 129  -0.044  11.362  -3.555
  839   HMB2  HEM 129          HMB2      HEM 129  -0.799  10.177  -4.810
  840   HMB3  HEM 129          HMB3      HEM 129  -0.859  10.139  -3.287
  841   HBB1  HEM 129          HBB1      HEM 129  -2.027   8.387  -3.225
  842   HBB2  HEM 129          HBB2      HEM 129  -2.060   7.660  -1.501
  843   HMC1  HEM 129          HMC1      HEM 129  -7.868  11.284   1.595
  844   HMC2  HEM 129          HMC2      HEM 129  -7.758  10.039   0.346
  845   HMC3  HEM 129          HMC3      HEM 129  -6.285  10.807   1.034
  846   HBC1  HEM 129          HBC1      HEM 129 -10.635  13.242   2.053
  847   HBC2  HEM 129          HBC2      HEM 129  -8.863  12.721   2.169
  848   HMD1  HEM 129          HMD1      HEM 129 -10.625  16.923  -2.410
  849   HMD2  HEM 129          HMD2      HEM 129 -10.706  18.150  -3.826
  850   HMD3  HEM 129          HMD3      HEM 129  -9.645  18.033  -2.753
  851   HAD1  HEM 129          HAD1      HEM 129  -9.281  18.259  -6.544
  852   HAD2  HEM 129          HAD2      HEM 129  -9.255  18.723  -5.106
  853   HBD1  HEM 129          HBD1      HEM 129  -7.978  20.322  -6.677
  854   HBD2  HEM 129          HBD2      HEM 129  -6.831  19.750  -5.450
  Start of MODEL    5
    1    HA   MET  21           HA       MET  21  17.306  -4.268  -3.740
    2    H1   MET  21           1H       MET  21  15.521  -3.700  -5.804
    3    HB2  MET  21           HB2      MET  21  16.559  -2.058  -2.864
    4    HB3  MET  21           HB3      MET  21  14.908  -2.652  -2.828
    5    HG2  MET  21           HG2      MET  21  15.582  -4.363  -1.192
    6    HG3  MET  21           HG3      MET  21  17.218  -3.698  -1.204
    7    HE1  MET  21           HE3      MET  21  15.921  -2.478   2.277
    8    HE2  MET  21           HE1      MET  21  15.537  -4.020   1.517
    9    HE3  MET  21           HE2      MET  21  17.173  -3.371   1.416
   10    H    ALA  22           HN       ALA  22  13.798  -3.903  -3.909
   11    HA   ALA  22           HA       ALA  22  13.371  -6.705  -4.487
   12    HB1  ALA  22           HB3      ALA  22  13.466  -6.720  -2.036
   13    HB2  ALA  22           HB1      ALA  22  12.236  -5.457  -1.976
   14    HB3  ALA  22           HB2      ALA  22  11.830  -7.051  -2.608
   15    H    GLU  23           HN       GLU  23  11.925  -6.634  -6.106
   16    HA   GLU  23           HA       GLU  23  11.216  -4.088  -7.037
   17    HB2  GLU  23           HB2      GLU  23  10.252  -6.768  -8.017
   18    HB3  GLU  23           HB3      GLU  23  10.114  -5.246  -8.892
   19    HG2  GLU  23           HG2      GLU  23  12.661  -6.647  -8.109
   20    HG3  GLU  23           HG3      GLU  23  11.988  -6.499  -9.733
   21    H    GLN  24           HN       GLN  24   8.697  -6.582  -6.893
   22    HA   GLN  24           HA       GLN  24   7.023  -5.118  -5.124
   23    HB2  GLN  24           HB2      GLN  24   7.024  -3.713  -7.279
   24    HB3  GLN  24           HB3      GLN  24   6.072  -5.014  -7.981
   25    HG2  GLN  24           HG2      GLN  24   4.455  -4.696  -6.068
   26    HG3  GLN  24           HG3      GLN  24   5.353  -3.235  -5.667
   27   HE21  GLN  24          HE21      GLN  24   2.576  -3.478  -6.471
   28   HE22  GLN  24          HE22      GLN  24   2.408  -2.557  -7.932
   29    H    SER  25           HN       SER  25   5.912  -6.685  -8.082
   30    HA   SER  25           HA       SER  25   4.231  -8.367  -6.378
   31    HG   SER  25           HG       SER  25   2.140  -8.801  -9.292
   32    HB2  SER  25           HB2      SER  25   3.233  -6.946  -8.191
   33    HB3  SER  25           HB3      SER  25   4.122  -7.896  -9.375
   34    H    ASP  26           HN       ASP  26   6.785  -8.483  -8.633
   35    HA   ASP  26           HA       ASP  26   6.676 -10.926  -9.852
   36    HB2  ASP  26           HB2      ASP  26   8.275  -8.949 -10.126
   37    HB3  ASP  26           HB3      ASP  26   9.227  -9.693  -8.847
   38    H    GLU  27           HN       GLU  27   7.889 -10.163  -6.669
   39    HA   GLU  27           HA       GLU  27   9.062 -12.833  -6.359
   40    HB2  GLU  27           HB2      GLU  27  10.145 -11.580  -4.333
   41    HB3  GLU  27           HB3      GLU  27  10.741 -11.284  -5.964
   42    HG2  GLU  27           HG2      GLU  27   9.545  -9.232  -6.117
   43    HG3  GLU  27           HG3      GLU  27   8.682  -9.557  -4.617
   44    H    ALA  28           HN       ALA  28   7.181 -10.399  -4.651
   45    HA   ALA  28           HA       ALA  28   5.399 -12.212  -3.453
   46    HB1  ALA  28           HB3      ALA  28   7.314 -12.864  -2.097
   47    HB2  ALA  28           HB1      ALA  28   7.600 -11.182  -1.654
   48    HB3  ALA  28           HB2      ALA  28   6.139 -12.004  -1.104
   49    H    VAL  29           HN       VAL  29   3.640 -11.028  -3.269
   50    HA   VAL  29           HA       VAL  29   3.591  -8.213  -3.426
   51    HB   VAL  29           HB       VAL  29   1.397 -10.035  -2.401
   52   HG11  VAL  29          HG11      VAL  29  -0.116  -8.302  -3.256
   53   HG12  VAL  29          HG12      VAL  29   0.932  -7.707  -1.967
   54   HG13  VAL  29          HG13      VAL  29   1.278  -7.297  -3.645
   55   HG21  VAL  29          HG23      VAL  29   0.578 -10.075  -4.718
   56   HG22  VAL  29          HG21      VAL  29   2.033  -9.217  -5.229
   57   HG23  VAL  29          HG22      VAL  29   2.159 -10.839  -4.547
   58    H    LYS  30           HN       LYS  30   4.125  -6.822  -1.866
   59    HA   LYS  30           HA       LYS  30   4.709  -7.764   0.758
   60    HB2  LYS  30           HB2      LYS  30   4.695  -4.932  -0.310
   61    HB3  LYS  30           HB3      LYS  30   5.284  -5.404   1.278
   62    HG2  LYS  30           HG2      LYS  30   7.237  -5.299   0.076
   63    HG3  LYS  30           HG3      LYS  30   6.826  -7.009  -0.071
   64    HD2  LYS  30           HD2      LYS  30   5.819  -6.576  -2.263
   65    HD3  LYS  30           HD3      LYS  30   6.246  -4.869  -2.121
   66    HE2  LYS  30           HE2      LYS  30   7.880  -5.999  -3.503
   67    HE3  LYS  30           HE3      LYS  30   8.628  -5.512  -1.980
   68    HZ1  LYS  30           HZ3      LYS  30   7.591  -8.238  -2.542
   69    HZ2  LYS  30           HZ1      LYS  30   8.444  -7.750  -1.165
   70    HZ3  LYS  30           HZ2      LYS  30   9.226  -7.792  -2.670
   71    H    TYR  31           HN       TYR  31   3.540  -7.603   2.623
   72    HA   TYR  31           HA       TYR  31   0.948  -6.228   2.388
   73    HD1  TYR  31           HD2      TYR  31  -0.537  -7.303   1.141
   74    HD2  TYR  31           HD1      TYR  31   1.423 -10.736   2.718
   75    HE1  TYR  31           HE2      TYR  31  -1.148  -8.582  -0.875
   76    HE2  TYR  31           HE1      TYR  31   0.819 -12.015   0.722
   77    HH   TYR  31           HH       TYR  31  -0.998 -11.909  -1.035
   78    HB2  TYR  31           HB2      TYR  31   1.522  -8.780   3.898
   79    HB3  TYR  31           HB3      TYR  31  -0.022  -7.936   3.853
   80    H    TYR  32           HN       TYR  32   0.168  -5.140   4.136
   81    HA   TYR  32           HA       TYR  32   1.847  -5.044   6.554
   82    HD1  TYR  32           HD2      TYR  32   1.676  -3.063   3.398
   83    HD2  TYR  32           HD1      TYR  32   2.788  -1.920   7.344
   84    HE1  TYR  32           HE2      TYR  32   3.708  -1.992   2.510
   85    HE2  TYR  32           HE1      TYR  32   4.826  -0.860   6.472
   86    HH   TYR  32           HH       TYR  32   5.344  -0.356   3.097
   87    HB2  TYR  32           HB2      TYR  32   0.008  -2.948   5.357
   88    HB3  TYR  32           HB3      TYR  32   0.674  -2.831   6.982
   89    H    THR  33           HN       THR  33  -0.271  -3.957   8.219
   90    HA   THR  33           HA       THR  33  -2.385  -5.991   7.883
   91    HB   THR  33           HB       THR  33  -2.724  -5.777  10.374
   92    HG1  THR  33           HG1      THR  33  -0.140  -4.565  10.279
   93   HG21  THR  33          HG23      THR  33  -0.862  -7.251  10.968
   94   HG22  THR  33          HG21      THR  33  -0.014  -6.788   9.494
   95   HG23  THR  33          HG22      THR  33  -1.525  -7.689   9.393
   96    H    LEU  34           HN       LEU  34  -4.355  -5.037   9.515
   97    HA   LEU  34           HA       LEU  34  -4.968  -2.403   8.437
   98    HG   LEU  34           HG       LEU  34  -7.409  -1.805  10.226
   99    HB2  LEU  34           HB2      LEU  34  -6.673  -4.236   8.599
  100    HB3  LEU  34           HB3      LEU  34  -6.565  -4.123  10.342
  101   HD11  LEU  34          HD11      LEU  34  -6.707  -1.111   8.053
  102   HD12  LEU  34          HD12      LEU  34  -7.621  -2.408   7.284
  103   HD13  LEU  34          HD13      LEU  34  -8.470  -1.088   8.083
  104   HD21  LEU  34          HD23      LEU  34  -9.160  -3.849   8.859
  105   HD22  LEU  34          HD21      LEU  34  -8.941  -3.673  10.602
  106   HD23  LEU  34          HD22      LEU  34  -9.711  -2.386   9.674
  107    H    GLU  35           HN       GLU  35  -4.409  -4.021  11.467
  108    HA   GLU  35           HA       GLU  35  -5.266  -2.060  13.220
  109    HB2  GLU  35           HB2      GLU  35  -3.953  -3.350  14.909
  110    HB3  GLU  35           HB3      GLU  35  -5.053  -4.317  13.939
  111    HG2  GLU  35           HG2      GLU  35  -3.253  -5.175  12.625
  112    HG3  GLU  35           HG3      GLU  35  -2.112  -4.057  13.371
  113    H    GLU  36           HN       GLU  36  -2.185  -2.521  11.684
  114    HA   GLU  36           HA       GLU  36  -0.757  -0.753  13.463
  115    HB2  GLU  36           HB2      GLU  36   1.176  -1.356  12.251
  116    HB3  GLU  36           HB3      GLU  36   0.208  -2.815  12.381
  117    HG2  GLU  36           HG2      GLU  36  -0.561  -2.530  10.086
  118    HG3  GLU  36           HG3      GLU  36   0.368  -1.032   9.963
  119    H    ILE  37           HN       ILE  37  -2.423  -0.566  10.478
  120    HA   ILE  37           HA       ILE  37  -1.263   1.868   9.513
  121    HB   ILE  37           HB       ILE  37  -4.002   0.768   8.860
  122   HG12  ILE  37          HG12      ILE  37  -2.010  -0.869   8.572
  123   HG13  ILE  37          HG13      ILE  37  -3.089  -0.630   7.206
  124   HG21  ILE  37          HG21      ILE  37  -3.642   3.040   8.104
  125   HG22  ILE  37          HG22      ILE  37  -2.129   2.568   7.331
  126   HG23  ILE  37          HG23      ILE  37  -3.659   1.942   6.723
  127   HD11  ILE  37          HD13      ILE  37  -1.447   0.926   6.248
  128   HD12  ILE  37          HD11      ILE  37  -0.373   0.565   7.599
  129   HD13  ILE  37          HD12      ILE  37  -0.822  -0.710   6.468
  130    H    GLN  38           HN       GLN  38  -3.877   0.915  11.598
  131    HA   GLN  38           HA       GLN  38  -5.055   3.458  12.040
  132    HB2  GLN  38           HB2      GLN  38  -4.943   0.934  13.711
  133    HB3  GLN  38           HB3      GLN  38  -5.858   2.359  14.184
  134    HG2  GLN  38           HG2      GLN  38  -6.309   1.007  11.549
  135    HG3  GLN  38           HG3      GLN  38  -7.116   0.473  13.021
  136   HE21  GLN  38          HE21      GLN  38  -6.814   3.044  10.678
  137   HE22  GLN  38          HE22      GLN  38  -8.256   3.880  11.151
  138    H    LYS  39           HN       LYS  39  -2.184   1.941  13.057
  139    HA   LYS  39           HA       LYS  39  -1.690   3.679  15.344
  140    HB2  LYS  39           HB2      LYS  39  -1.196   1.221  15.351
  141    HB3  LYS  39           HB3      LYS  39  -0.004   1.490  14.092
  142    HG2  LYS  39           HG2      LYS  39   1.407   2.691  15.563
  143    HG3  LYS  39           HG3      LYS  39   0.152   2.779  16.803
  144    HD2  LYS  39           HD2      LYS  39   1.878   1.062  17.298
  145    HD3  LYS  39           HD3      LYS  39   0.261   0.372  17.128
  146    HE2  LYS  39           HE2      LYS  39   0.774  -0.334  14.856
  147    HE3  LYS  39           HE3      LYS  39   2.352   0.444  14.954
  148    HZ1  LYS  39           HZ3      LYS  39   3.022  -1.084  16.633
  149    HZ2  LYS  39           HZ1      LYS  39   2.447  -1.964  15.311
  150    HZ3  LYS  39           HZ2      LYS  39   1.486  -1.797  16.696
  151    H    HIS  40           HN       HIS  40  -1.541   3.962  12.144
  152    HA   HIS  40           HA       HIS  40   0.822   5.719  12.139
  153    HD1  HIS  40           HD1      HIS  40   1.444   1.614  10.141
  154    HD2  HIS  40           HD2      HIS  40   3.038   4.769  12.320
  155    HE1  HIS  40           HE1      HIS  40   3.520   0.698  11.227
  156    HE2  HIS  40           HE2      HIS  40   4.615   2.702  12.287
  157    HB2  HIS  40           HB2      HIS  40  -0.033   3.662  10.108
  158    HB3  HIS  40           HB3      HIS  40   1.100   4.952   9.731
  159    H    ASN  41           HN       ASN  41  -1.804   6.459  12.642
  160    HA   ASN  41           HA       ASN  41  -2.876   7.660  10.164
  161    HB2  ASN  41           HB2      ASN  41  -4.994   7.732  11.327
  162    HB3  ASN  41           HB3      ASN  41  -4.316   6.121  11.547
  163   HD21  ASN  41          HD21      ASN  41  -6.271   7.561  13.151
  164   HD22  ASN  41          HD22      ASN  41  -5.623   7.625  14.750
  165    H    HIS  42           HN       HIS  42  -0.644   8.709  11.971
  166    HA   HIS  42           HA       HIS  42  -1.911  11.175  12.971
  167    HD1  HIS  42           HD1      HIS  42   1.550   9.539  13.051
  168    HD2  HIS  42           HD2      HIS  42  -0.262   7.877  16.399
  169    HE1  HIS  42           HE1      HIS  42   3.095   7.715  13.802
  170    HE2  HIS  42           HE2      HIS  42   2.034   6.791  15.891
  171    HB2  HIS  42           HB2      HIS  42  -0.533  10.982  15.034
  172    HB3  HIS  42           HB3      HIS  42  -1.737   9.711  14.886
  173    H    SER  43           HN       SER  43  -0.006  12.575  14.004
  174    HA   SER  43           HA       SER  43   1.274  13.951  12.133
  175    HG   SER  43           HG       SER  43   2.918  15.576  13.295
  176    HB2  SER  43           HB2      SER  43   1.285  14.594  14.471
  177    HB3  SER  43           HB3      SER  43   2.386  13.277  14.866
  178    H    LYS  44           HN       LYS  44   3.120  11.458  13.907
  179    HA   LYS  44           HA       LYS  44   5.511  11.889  12.556
  180    HB2  LYS  44           HB2      LYS  44   4.820  10.486  14.760
  181    HB3  LYS  44           HB3      LYS  44   5.067   9.167  13.628
  182    HG2  LYS  44           HG2      LYS  44   7.319  10.103  13.112
  183    HG3  LYS  44           HG3      LYS  44   7.075  11.276  14.407
  184    HD2  LYS  44           HD2      LYS  44   8.344   9.506  15.342
  185    HD3  LYS  44           HD3      LYS  44   6.700   9.306  15.950
  186    HE2  LYS  44           HE2      LYS  44   7.626   7.162  15.285
  187    HE3  LYS  44           HE3      LYS  44   6.284   7.600  14.230
  188    HZ1  LYS  44           HZ3      LYS  44   9.141   8.056  13.550
  189    HZ2  LYS  44           HZ1      LYS  44   7.809   8.225  12.520
  190    HZ3  LYS  44           HZ2      LYS  44   8.264   6.685  13.064
  191    H    SER  45           HN       SER  45   2.792  10.114  11.528
  192    HA   SER  45           HA       SER  45   4.075   9.294   9.108
  193    HG   SER  45           HG       SER  45   5.594   8.017  10.436
  194    HB2  SER  45           HB2      SER  45   2.980   7.115  10.910
  195    HB3  SER  45           HB3      SER  45   3.685   6.897   9.317
  196    H    THR  46           HN       THR  46   2.531  10.009   7.730
  197    HA   THR  46           HA       THR  46  -0.275   9.621   8.514
  198    HB   THR  46           HB       THR  46   0.828  11.300   6.253
  199    HG1  THR  46           HG1      THR  46   0.972  11.763   8.809
  200   HG21  THR  46          HG23      THR  46  -1.417  12.312   6.233
  201   HG22  THR  46          HG21      THR  46  -1.932  11.188   7.490
  202   HG23  THR  46          HG22      THR  46  -1.497  10.584   5.892
  203    H    TRP  47           HN       TRP  47  -0.788   7.560   7.953
  204    HA   TRP  47           HA       TRP  47  -0.273   6.764   5.174
  205    HD1  TRP  47           HD1      TRP  47   1.858   6.701   5.848
  206    HE1  TRP  47           HE1      TRP  47   4.053   5.368   6.027
  207    HE3  TRP  47           HE3      TRP  47  -0.046   2.324   7.626
  208    HZ2  TRP  47           HZ2      TRP  47   4.854   2.766   6.849
  209    HZ3  TRP  47           HZ3      TRP  47   1.485   0.464   8.094
  210    HH2  TRP  47           HH2      TRP  47   3.874   0.675   7.715
  211    HB2  TRP  47           HB2      TRP  47  -0.822   5.168   7.661
  212    HB3  TRP  47           HB3      TRP  47  -1.027   4.468   6.061
  213    H    LEU  48           HN       LEU  48  -1.988   5.359   4.217
  214    HA   LEU  48           HA       LEU  48  -4.646   5.467   5.256
  215    HG   LEU  48           HG       LEU  48  -3.560   6.196   1.806
  216    HB2  LEU  48           HB2      LEU  48  -5.714   6.547   3.336
  217    HB3  LEU  48           HB3      LEU  48  -4.649   7.665   4.168
  218   HD11  LEU  48          HD11      LEU  48  -5.425   8.554   1.623
  219   HD12  LEU  48          HD12      LEU  48  -4.466   7.897   0.297
  220   HD13  LEU  48          HD13      LEU  48  -5.743   6.925   1.028
  221   HD21  LEU  48          HD23      LEU  48  -3.239   8.984   2.917
  222   HD22  LEU  48          HD21      LEU  48  -2.097   7.650   3.075
  223   HD23  LEU  48          HD22      LEU  48  -2.408   8.361   1.491
  224    H    ILE  49           HN       ILE  49  -6.155   4.426   3.564
  225    HA   ILE  49           HA       ILE  49  -4.682   2.454   1.949
  226    HB   ILE  49           HB       ILE  49  -7.218   1.880   3.512
  227   HG12  ILE  49          HG12      ILE  49  -4.384   0.986   4.105
  228   HG13  ILE  49          HG13      ILE  49  -5.240   2.249   4.980
  229   HG21  ILE  49          HG21      ILE  49  -7.017   0.524   1.513
  230   HG22  ILE  49          HG22      ILE  49  -5.355   0.105   1.929
  231   HG23  ILE  49          HG23      ILE  49  -6.686  -0.481   2.925
  232   HD11  ILE  49          HD13      ILE  49  -5.264   0.191   6.221
  233   HD12  ILE  49          HD11      ILE  49  -6.894   0.610   5.705
  234   HD13  ILE  49          HD12      ILE  49  -6.003  -0.656   4.861
  235    H    LEU  50           HN       LEU  50  -5.674   1.967  -0.028
  236    HA   LEU  50           HA       LEU  50  -8.149   3.436  -0.597
  237    HG   LEU  50           HG       LEU  50  -6.049   5.428  -0.974
  238    HB2  LEU  50           HB2      LEU  50  -5.633   3.344  -2.169
  239    HB3  LEU  50           HB3      LEU  50  -7.155   3.489  -3.022
  240   HD11  LEU  50          HD11      LEU  50  -5.960   6.950  -2.898
  241   HD12  LEU  50          HD12      LEU  50  -4.950   5.522  -3.129
  242   HD13  LEU  50          HD13      LEU  50  -6.507   5.638  -3.944
  243   HD21  LEU  50          HD23      LEU  50  -8.473   5.297  -0.766
  244   HD22  LEU  50          HD21      LEU  50  -7.996   6.815  -1.529
  245   HD23  LEU  50          HD22      LEU  50  -8.651   5.505  -2.508
  246    H    HIS  51           HN       HIS  51  -6.483   1.475  -2.933
  247    HA   HIS  51           HA       HIS  51  -8.863  -0.238  -2.945
  248    HD1  HIS  51           HD1      HIS  51  -8.867   0.568  -7.384
  249    HD2  HIS  51           HD2      HIS  51  -9.613   2.088  -3.587
  250    HE1  HIS  51           HE1      HIS  51 -10.746   2.216  -7.666
  251    HE2  HIS  51           HE2      HIS  51 -11.312   2.944  -5.322
  252    HB2  HIS  51           HB2      HIS  51  -6.861   0.409  -5.111
  253    HB3  HIS  51           HB3      HIS  51  -7.999  -0.926  -5.258
  254    H    HIS  52           HN       HIS  52  -7.855  -1.230  -0.995
  255    HA   HIS  52           HA       HIS  52  -7.038  -3.142  -0.028
  256    HD1  HIS  52           HD1      HIS  52  -7.608  -6.613  -2.875
  257    HD2  HIS  52           HD2      HIS  52  -9.417  -3.345  -1.048
  258    HE1  HIS  52           HE1      HIS  52 -10.056  -7.156  -2.775
  259    HE2  HIS  52           HE2      HIS  52 -11.131  -5.189  -1.630
  260    HB2  HIS  52           HB2      HIS  52  -6.393  -3.893  -2.881
  261    HB3  HIS  52           HB3      HIS  52  -5.987  -4.922  -1.517
  262    H    LYS  53           HN       LYS  53  -5.389  -0.667  -0.989
  263    HA   LYS  53           HA       LYS  53  -2.750  -1.814  -0.413
  264    HB2  LYS  53           HB2      LYS  53  -3.290   0.239  -2.578
  265    HB3  LYS  53           HB3      LYS  53  -1.731  -0.472  -2.173
  266    HG2  LYS  53           HG2      LYS  53  -2.279  -2.525  -3.093
  267    HG3  LYS  53           HG3      LYS  53  -4.012  -2.215  -3.007
  268    HD2  LYS  53           HD2      LYS  53  -3.723  -1.887  -5.231
  269    HD3  LYS  53           HD3      LYS  53  -3.326  -0.259  -4.686
  270    HE2  LYS  53           HE2      LYS  53  -1.695  -1.112  -6.308
  271    HE3  LYS  53           HE3      LYS  53  -0.964  -0.795  -4.735
  272    HZ1  LYS  53           HZ3      LYS  53  -0.293  -2.942  -5.768
  273    HZ2  LYS  53           HZ1      LYS  53  -1.890  -3.487  -5.584
  274    HZ3  LYS  53           HZ2      LYS  53  -0.956  -3.090  -4.220
  275    H    VAL  54           HN       VAL  54  -1.443  -0.599   0.869
  276    HA   VAL  54           HA       VAL  54  -2.667   1.726   2.149
  277    HB   VAL  54           HB       VAL  54  -1.707   0.017   3.592
  278   HG11  VAL  54          HG11      VAL  54   0.894   0.603   2.193
  279   HG12  VAL  54          HG12      VAL  54   0.732  -0.366   3.657
  280   HG13  VAL  54          HG13      VAL  54  -0.016  -0.906   2.153
  281   HG21  VAL  54          HG23      VAL  54  -1.663   2.282   4.414
  282   HG22  VAL  54          HG21      VAL  54  -0.201   1.443   4.932
  283   HG23  VAL  54          HG22      VAL  54  -0.134   2.585   3.589
  284    H    TYR  55           HN       TYR  55  -1.708   3.784   2.182
  285    HA   TYR  55           HA       TYR  55   0.550   4.187   0.330
  286    HD1  TYR  55           HD2      TYR  55  -2.847   3.549  -0.035
  287    HD2  TYR  55           HD1      TYR  55  -0.729   6.326  -2.473
  288    HE1  TYR  55           HE2      TYR  55  -3.929   2.615  -2.030
  289    HE2  TYR  55           HE1      TYR  55  -1.832   5.406  -4.479
  290    HH   TYR  55           HH       TYR  55  -2.951   3.379  -5.211
  291    HB2  TYR  55           HB2      TYR  55  -1.829   6.016   0.745
  292    HB3  TYR  55           HB3      TYR  55  -0.411   6.414  -0.210
  293    H    ASP  56           HN       ASP  56   1.947   5.970   0.830
  294    HA   ASP  56           HA       ASP  56   1.719   6.979   3.597
  295    HB2  ASP  56           HB2      ASP  56   3.690   5.417   3.173
  296    HB3  ASP  56           HB3      ASP  56   4.314   6.627   2.066
  297    H    LEU  57           HN       LEU  57   2.030   9.247   3.830
  298    HA   LEU  57           HA       LEU  57   2.538  10.654   1.287
  299    HG   LEU  57           HG       LEU  57  -0.342  10.018   2.423
  300    HB2  LEU  57           HB2      LEU  57   0.990  11.793   3.601
  301    HB3  LEU  57           HB3      LEU  57   1.262  12.538   2.050
  302   HD11  LEU  57          HD11      LEU  57  -1.458  11.841   3.545
  303   HD12  LEU  57          HD12      LEU  57  -1.225  12.885   2.141
  304   HD13  LEU  57          HD13      LEU  57  -2.292  11.483   2.032
  305   HD21  LEU  57          HD23      LEU  57  -1.131  10.565   0.145
  306   HD22  LEU  57          HD21      LEU  57   0.043  11.879   0.084
  307   HD23  LEU  57          HD22      LEU  57   0.597  10.209   0.206
  308    H    THR  58           HN       THR  58   3.454  10.242   4.548
  309    HA   THR  58           HA       THR  58   3.641  12.459   5.858
  310    HB   THR  58           HB       THR  58   6.041  10.710   6.022
  311    HG1  THR  58           HG1      THR  58   4.384   9.235   5.723
  312   HG21  THR  58          HG23      THR  58   5.570  10.956   8.445
  313   HG22  THR  58          HG21      THR  58   4.206  12.002   8.050
  314   HG23  THR  58          HG22      THR  58   5.848  12.509   7.657
  315    H    LYS  59           HN       LYS  59   5.552  12.557   3.016
  316    HA   LYS  59           HA       LYS  59   6.733  15.049   4.069
  317    HB2  LYS  59           HB2      LYS  59   7.472  13.286   1.751
  318    HB3  LYS  59           HB3      LYS  59   7.911  14.989   1.738
  319    HG2  LYS  59           HG2      LYS  59   8.963  14.524   4.033
  320    HG3  LYS  59           HG3      LYS  59   8.850  12.822   3.573
  321    HD2  LYS  59           HD2      LYS  59  10.201  13.181   1.639
  322    HD3  LYS  59           HD3      LYS  59  10.131  14.931   1.850
  323    HE2  LYS  59           HE2      LYS  59  11.325  14.613   4.039
  324    HE3  LYS  59           HE3      LYS  59  11.565  12.926   3.585
  325    HZ1  LYS  59           HZ3      LYS  59  13.497  14.199   2.997
  326    HZ2  LYS  59           HZ1      LYS  59  12.567  15.312   2.121
  327    HZ3  LYS  59           HZ2      LYS  59  12.718  13.714   1.574
  328    H    PHE  60           HN       PHE  60   4.559  13.584   1.885
  329    HA   PHE  60           HA       PHE  60   4.256  15.546  -0.085
  330    HD1  PHE  60           HD2      PHE  60   3.906  15.027  -2.255
  331    HD2  PHE  60           HD1      PHE  60   0.349  13.405  -0.568
  332    HE1  PHE  60           HE2      PHE  60   2.685  15.560  -4.326
  333    HE2  PHE  60           HE1      PHE  60  -0.876  13.931  -2.637
  334    HZ   PHE  60           HZ       PHE  60   0.290  15.010  -4.519
  335    HB2  PHE  60           HB2      PHE  60   3.701  13.098  -0.254
  336    HB3  PHE  60           HB3      PHE  60   2.260  13.423   0.698
  337    H    LEU  61           HN       LEU  61   3.145  15.406   3.039
  338    HA   LEU  61           HA       LEU  61   0.527  16.183   3.082
  339    HG   LEU  61           HG       LEU  61   2.581  14.543   4.779
  340    HB2  LEU  61           HB2      LEU  61   2.705  17.021   4.995
  341    HB3  LEU  61           HB3      LEU  61   0.982  17.057   5.333
  342   HD11  LEU  61          HD11      LEU  61   2.318  14.086   7.157
  343   HD12  LEU  61          HD12      LEU  61   3.207  15.587   6.900
  344   HD13  LEU  61          HD13      LEU  61   1.508  15.637   7.377
  345   HD21  LEU  61          HD23      LEU  61  -0.239  14.865   5.797
  346   HD22  LEU  61          HD21      LEU  61   0.179  14.459   4.133
  347   HD23  LEU  61          HD22      LEU  61   0.596  13.354   5.443
  348    H    GLU  62           HN       GLU  62   3.262  18.127   2.294
  349    HA   GLU  62           HA       GLU  62   1.892  20.630   2.889
  350    HB2  GLU  62           HB2      GLU  62   4.698  20.203   1.868
  351    HB3  GLU  62           HB3      GLU  62   4.057  21.642   2.657
  352    HG2  GLU  62           HG2      GLU  62   3.719  20.284   4.716
  353    HG3  GLU  62           HG3      GLU  62   4.514  18.939   3.902
  354    H    GLU  63           HN       GLU  63   2.417  18.579   0.255
  355    HA   GLU  63           HA       GLU  63   2.417  20.767  -1.707
  356    HB2  GLU  63           HB2      GLU  63   3.338  17.917  -1.809
  357    HB3  GLU  63           HB3      GLU  63   2.969  18.778  -3.295
  358    HG2  GLU  63           HG2      GLU  63   4.589  20.562  -2.433
  359    HG3  GLU  63           HG3      GLU  63   5.118  19.327  -1.290
  360    H    HIS  64           HN       HIS  64   0.500  18.160  -0.510
  361    HA   HIS  64           HA       HIS  64  -1.172  17.907  -2.775
  362    HD1  HIS  64           HD1      HIS  64  -4.159  16.878   0.359
  363    HD2  HIS  64           HD2      HIS  64  -2.721  15.097  -3.167
  364    HE1  HIS  64           HE1      HIS  64  -6.093  15.536  -0.636
  365    HB2  HIS  64           HB3      HIS  64  -0.871  16.101  -1.141
  366    HB3  HIS  64           HB2      HIS  64  -1.608  17.060   0.106
  367    HA   PRO  65           HA       PRO  65  -3.827  21.524  -2.621
  368    HB2  PRO  65           HB2      PRO  65  -5.939  19.394  -2.680
  369    HB3  PRO  65           HB3      PRO  65  -5.838  20.893  -3.610
  370    HG2  PRO  65           HG2      PRO  65  -5.136  18.516  -4.660
  371    HG3  PRO  65           HG3      PRO  65  -4.313  20.021  -5.104
  372    HD2  PRO  65           HD2      PRO  65  -3.327  17.751  -3.530
  373    HD3  PRO  65           HD3      PRO  65  -2.417  19.054  -4.315
  374    H    GLY  66           HN       GLY  66  -4.917  18.730  -0.686
  375    HA2  GLY  66           HA1      GLY  66  -5.990  20.544   1.328
  376    HA3  GLY  66           HA2      GLY  66  -6.177  18.793   1.302
  377    H    GLY  67           HN       GLY  67  -4.959  21.045   3.148
  378    HA2  GLY  67           HA1      GLY  67  -2.246  20.329   3.519
  379    HA3  GLY  67           HA2      GLY  67  -3.248  21.214   4.660
  380    H    GLU  68           HN       GLU  68  -1.345  19.402   5.445
  381    HA   GLU  68           HA       GLU  68  -1.719  16.828   5.887
  382    HB2  GLU  68           HB2      GLU  68  -0.984  17.315   8.358
  383    HB3  GLU  68           HB3      GLU  68   0.103  17.621   7.007
  384    HG2  GLU  68           HG2      GLU  68  -0.356  19.935   7.056
  385    HG3  GLU  68           HG3      GLU  68  -1.670  19.721   8.212
  386    H    GLU  69           HN       GLU  69  -3.446  19.274   7.726
  387    HA   GLU  69           HA       GLU  69  -4.618  17.740   9.678
  388    HB2  GLU  69           HB2      GLU  69  -5.745  20.168   8.297
  389    HB3  GLU  69           HB3      GLU  69  -6.283  19.540   9.851
  390    HG2  GLU  69           HG2      GLU  69  -3.995  19.932  10.734
  391    HG3  GLU  69           HG3      GLU  69  -3.579  20.686   9.197
  392    H    VAL  70           HN       VAL  70  -5.708  18.229   6.338
  393    HA   VAL  70           HA       VAL  70  -8.319  17.137   7.080
  394    HB   VAL  70           HB       VAL  70  -9.078  17.869   4.827
  395   HG11  VAL  70          HG11      VAL  70  -9.041  20.296   5.326
  396   HG12  VAL  70          HG12      VAL  70  -9.483  19.309   6.720
  397   HG13  VAL  70          HG13      VAL  70  -7.859  19.987   6.597
  398   HG21  VAL  70          HG23      VAL  70  -7.650  19.434   3.579
  399   HG22  VAL  70          HG21      VAL  70  -6.321  19.062   4.680
  400   HG23  VAL  70          HG22      VAL  70  -6.986  17.801   3.646
  401    H    LEU  71           HN       LEU  71  -5.456  15.933   5.997
  402    HA   LEU  71           HA       LEU  71  -6.569  13.843   4.342
  403    HG   LEU  71           HG       LEU  71  -3.059  13.864   3.298
  404    HB2  LEU  71           HB2      LEU  71  -3.893  14.245   5.661
  405    HB3  LEU  71           HB3      LEU  71  -4.318  12.722   4.909
  406   HD11  LEU  71          HD11      LEU  71  -5.932  14.434   2.594
  407   HD12  LEU  71          HD12      LEU  71  -4.584  14.272   1.470
  408   HD13  LEU  71          HD13      LEU  71  -5.123  12.879   2.404
  409   HD21  LEU  71          HD23      LEU  71  -3.475  16.168   2.602
  410   HD22  LEU  71          HD21      LEU  71  -4.735  16.307   3.829
  411   HD23  LEU  71          HD22      LEU  71  -3.056  16.065   4.311
  412    H    ARG  72           HN       ARG  72  -5.818  14.513   7.623
  413    HA   ARG  72           HA       ARG  72  -5.487  12.007   8.757
  414    HE   ARG  72           HE       ARG  72  -3.631  13.824  12.400
  415    HB2  ARG  72           HB2      ARG  72  -6.550  14.542  10.004
  416    HB3  ARG  72           HB3      ARG  72  -5.983  13.141  10.902
  417    HG2  ARG  72           HG2      ARG  72  -3.760  13.441  10.114
  418    HG3  ARG  72           HG3      ARG  72  -4.269  14.695   8.982
  419    HD2  ARG  72           HD2      ARG  72  -3.350  15.884  10.760
  420    HD3  ARG  72           HD3      ARG  72  -5.085  15.958  11.056
  421   HH11  ARG  72          HH12      ARG  72  -5.135  16.958  12.594
  422   HH12  ARG  72          HH11      ARG  72  -5.057  17.053  14.325
  423   HH21  ARG  72          HH22      ARG  72  -3.492  13.928  14.697
  424   HH22  ARG  72          HH21      ARG  72  -4.129  15.315  15.520
  425    H    GLU  73           HN       GLU  73  -8.310  13.634   7.837
  426    HA   GLU  73           HA       GLU  73 -10.242  12.701   9.636
  427    HB2  GLU  73           HB2      GLU  73 -10.712  13.425   6.746
  428    HB3  GLU  73           HB3      GLU  73 -11.863  13.512   8.067
  429    HG2  GLU  73           HG2      GLU  73  -9.407  15.209   7.757
  430    HG3  GLU  73           HG3      GLU  73 -11.058  15.706   7.407
  431    H    GLN  74           HN       GLN  74  -8.783  11.327   6.859
  432    HA   GLN  74           HA       GLN  74 -10.566   8.975   6.921
  433    HB2  GLN  74           HB2      GLN  74  -9.409  10.490   4.583
  434    HB3  GLN  74           HB3      GLN  74 -10.010   8.845   4.428
  435    HG2  GLN  74           HG2      GLN  74 -11.723  11.016   5.564
  436    HG3  GLN  74           HG3      GLN  74 -11.568  10.793   3.819
  437   HE21  GLN  74          HE21      GLN  74 -12.324   8.851   2.905
  438   HE22  GLN  74          HE22      GLN  74 -13.485   7.850   3.709
  439    H    ALA  75           HN       ALA  75  -7.598  10.132   7.532
  440    HA   ALA  75           HA       ALA  75  -5.966   8.194   6.185
  441    HB1  ALA  75           HB3      ALA  75  -5.157  10.458   6.540
  442    HB2  ALA  75           HB1      ALA  75  -5.244  10.233   8.285
  443    HB3  ALA  75           HB2      ALA  75  -4.107   9.283   7.327
  444    H    GLY  76           HN       GLY  76  -4.812   6.554   7.087
  445    HA2  GLY  76           HA1      GLY  76  -4.105   5.106   8.809
  446    HA3  GLY  76           HA2      GLY  76  -5.322   5.803   9.872
  447    H    GLY  77           HN       GLY  77  -7.089   5.399   7.240
  448    HA2  GLY  77           HA1      GLY  77  -7.369   2.491   7.420
  449    HA3  GLY  77           HA2      GLY  77  -8.779   3.484   7.813
  450    H    ASP  78           HN       ASP  78  -9.843   2.460   5.972
  451    HA   ASP  78           HA       ASP  78  -8.659   2.801   3.383
  452    HB2  ASP  78           HB2      ASP  78 -10.349   0.971   4.208
  453    HB3  ASP  78           HB3      ASP  78 -11.559   2.155   3.725
  454    H    ALA  79           HN       ALA  79  -9.172   4.245   1.790
  455    HA   ALA  79           HA       ALA  79 -11.023   6.409   2.533
  456    HB1  ALA  79           HB3      ALA  79  -8.692   7.152   2.734
  457    HB2  ALA  79           HB1      ALA  79  -8.416   6.721   1.048
  458    HB3  ALA  79           HB2      ALA  79  -9.548   8.011   1.453
  459    H    THR  80           HN       THR  80 -10.737   3.868   0.587
  460    HA   THR  80           HA       THR  80 -10.664   4.611  -2.062
  461    HB   THR  80           HB       THR  80 -10.655   2.289  -1.341
  462    HG1  THR  80           HG1      THR  80 -12.963   2.463  -2.971
  463   HG21  THR  80          HG23      THR  80 -13.605   2.680  -0.812
  464   HG22  THR  80          HG21      THR  80 -12.363   2.412   0.412
  465   HG23  THR  80          HG22      THR  80 -12.743   1.142  -0.752
  466    H    GLU  81           HN       GLU  81 -13.256   5.193   0.119
  467    HA   GLU  81           HA       GLU  81 -15.510   5.047  -1.477
  468    HB2  GLU  81           HB2      GLU  81 -14.926   7.072   0.703
  469    HB3  GLU  81           HB3      GLU  81 -16.520   6.573   0.157
  470    HG2  GLU  81           HG2      GLU  81 -16.363   4.499   1.169
  471    HG3  GLU  81           HG3      GLU  81 -14.605   4.545   1.233
  472    H    ASN  82           HN       ASN  82 -13.205   7.699  -1.115
  473    HA   ASN  82           HA       ASN  82 -14.666   9.631  -2.604
  474    HB2  ASN  82           HB2      ASN  82 -12.853  11.042  -2.320
  475    HB3  ASN  82           HB3      ASN  82 -12.622   9.939  -0.971
  476   HD21  ASN  82          HD21      ASN  82 -10.954   8.339  -1.127
  477   HD22  ASN  82          HD22      ASN  82  -9.642   8.539  -2.236
  478    H    PHE  83           HN       PHE  83 -12.611   7.017  -3.449
  479    HA   PHE  83           HA       PHE  83 -11.868   8.127  -6.038
  480    HD1  PHE  83           HD1      PHE  83  -9.493   8.535  -6.192
  481    HD2  PHE  83           HD2      PHE  83  -9.964   4.346  -6.735
  482    HE1  PHE  83           HE1      PHE  83  -7.823   8.588  -7.995
  483    HE2  PHE  83           HE2      PHE  83  -8.294   4.390  -8.545
  484    HZ   PHE  83           HZ       PHE  83  -7.213   6.513  -9.171
  485    HB2  PHE  83           HB2      PHE  83 -10.369   6.816  -4.337
  486    HB3  PHE  83           HB3      PHE  83 -11.127   5.392  -5.035
  487    H    GLU  84           HN       GLU  84 -14.341   6.422  -4.707
  488    HA   GLU  84           HA       GLU  84 -15.044   5.141  -7.256
  489    HB2  GLU  84           HB2      GLU  84 -16.237   3.438  -5.976
  490    HB3  GLU  84           HB3      GLU  84 -14.563   3.520  -5.468
  491    HG2  GLU  84           HG2      GLU  84 -15.293   4.881  -3.522
  492    HG3  GLU  84           HG3      GLU  84 -16.957   4.505  -3.983
  493    H    ASP  85           HN       ASP  85 -15.461   7.857  -6.039
  494    HA   ASP  85           HA       ASP  85 -18.401   7.977  -6.167
  495    HB2  ASP  85           HB2      ASP  85 -17.574   8.383  -3.885
  496    HB3  ASP  85           HB3      ASP  85 -16.534   9.664  -4.487
  497    H    VAL  86           HN       VAL  86 -16.187  10.726  -5.948
  498    HA   VAL  86           HA       VAL  86 -16.238  11.130  -8.844
  499    HB   VAL  86           HB       VAL  86 -16.845  13.537  -8.600
  500   HG11  VAL  86          HG11      VAL  86 -18.975  11.603  -7.697
  501   HG12  VAL  86          HG12      VAL  86 -19.258  13.202  -8.385
  502   HG13  VAL  86          HG13      VAL  86 -18.516  11.938  -9.366
  503   HG21  VAL  86          HG23      VAL  86 -16.333  13.853  -6.255
  504   HG22  VAL  86          HG21      VAL  86 -18.028  14.250  -6.553
  505   HG23  VAL  86          HG22      VAL  86 -17.602  12.714  -5.801
  506    H    GLY  87           HN       GLY  87 -14.223  10.509  -6.743
  507    HA2  GLY  87           HA1      GLY  87 -12.744  13.002  -6.413
  508    HA3  GLY  87           HA2      GLY  87 -12.418  11.485  -5.600
  509    H    HIS  88           HN       HIS  88 -11.055  13.584  -7.474
  510    HA   HIS  88           HA       HIS  88  -9.033  13.588  -8.451
  511    HD1  HIS  88           HD1      HIS  88  -8.988  10.164  -5.628
  512    HD2  HIS  88           HD2      HIS  88  -6.807  13.527  -6.780
  513    HE1  HIS  88           HE1      HIS  88  -7.819  11.017  -3.538
  514    HB2  HIS  88           HB2      HIS  88  -9.122  10.592  -8.088
  515    HB3  HIS  88           HB3      HIS  88  -7.743  11.463  -8.744
  516    H    SER  89           HN       SER  89  -8.284  13.727 -10.500
  517    HA   SER  89           HA       SER  89  -9.890  12.427 -12.574
  518    HG   SER  89           HG       SER  89  -7.158  15.141 -13.174
  519    HB2  SER  89           HB2      SER  89  -8.778  14.132 -14.096
  520    HB3  SER  89           HB3      SER  89  -9.883  14.794 -12.892
  521    H    THR  90           HN       THR  90  -8.227  12.318 -14.687
  522    HA   THR  90           HA       THR  90  -6.898   9.944 -14.331
  523    HB   THR  90           HB       THR  90  -5.976  11.955 -16.365
  524    HG1  THR  90           HG1      THR  90  -8.328  10.377 -16.696
  525   HG21  THR  90          HG23      THR  90  -6.491   8.981 -16.513
  526   HG22  THR  90          HG21      THR  90  -4.907   9.741 -16.345
  527   HG23  THR  90          HG22      THR  90  -5.856   9.990 -17.812
  528    H    ASP  91           HN       ASP  91  -5.666  13.207 -13.941
  529    HA   ASP  91           HA       ASP  91  -2.944  12.915 -14.149
  530    HB2  ASP  91           HB2      ASP  91  -4.284  14.636 -12.061
  531    HB3  ASP  91           HB3      ASP  91  -2.761  14.937 -12.892
  532    H    ALA  92           HN       ALA  92  -4.923  12.511 -11.244
  533    HA   ALA  92           HA       ALA  92  -2.714  12.130  -9.485
  534    HB1  ALA  92           HB3      ALA  92  -4.385  11.807  -7.786
  535    HB2  ALA  92           HB1      ALA  92  -4.828  13.170  -8.811
  536    HB3  ALA  92           HB2      ALA  92  -5.641  11.616  -9.011
  537    H    ARG  93           HN       ARG  93  -4.044  10.063 -11.697
  538    HA   ARG  93           HA       ARG  93  -3.843   7.658 -10.074
  539    HE   ARG  93           HE       ARG  93  -6.069   5.402 -12.170
  540    HB2  ARG  93           HB2      ARG  93  -4.414   8.036 -13.016
  541    HB3  ARG  93           HB3      ARG  93  -4.529   6.515 -12.144
  542    HG2  ARG  93           HG2      ARG  93  -6.275   7.543 -10.702
  543    HG3  ARG  93           HG3      ARG  93  -6.227   8.965 -11.751
  544    HD2  ARG  93           HD2      ARG  93  -8.027   7.460 -12.380
  545    HD3  ARG  93           HD3      ARG  93  -6.828   7.588 -13.662
  546   HH11  ARG  93          HH12      ARG  93  -8.978   6.349 -13.864
  547   HH12  ARG  93          HH11      ARG  93  -9.396   4.725 -14.327
  548   HH21  ARG  93          HH22      ARG  93  -6.579   3.260 -12.793
  549   HH22  ARG  93          HH21      ARG  93  -8.011   2.959 -13.730
  550    H    GLU  94           HN       GLU  94  -1.784   9.634 -11.761
  551    HA   GLU  94           HA       GLU  94   0.065   7.475 -12.537
  552    HB2  GLU  94           HB2      GLU  94  -0.283  10.308 -13.542
  553    HB3  GLU  94           HB3      GLU  94   1.117   9.329 -13.946
  554    HG2  GLU  94           HG2      GLU  94  -1.703   8.488 -14.559
  555    HG3  GLU  94           HG3      GLU  94  -0.714   9.440 -15.665
  556    H    MET  95           HN       MET  95  -0.490  10.222 -10.598
  557    HA   MET  95           HA       MET  95   2.249  10.668  -9.840
  558    HB2  MET  95           HB2      MET  95   0.729  12.542  -9.960
  559    HB3  MET  95           HB3      MET  95  -0.389  11.757  -8.859
  560    HG2  MET  95           HG2      MET  95   0.774  13.502  -7.713
  561    HG3  MET  95           HG3      MET  95   1.270  11.946  -7.060
  562    HE1  MET  95           HE3      MET  95   4.466  14.076  -6.599
  563    HE2  MET  95           HE1      MET  95   2.782  14.570  -6.409
  564    HE3  MET  95           HE2      MET  95   3.303  12.984  -5.846
  565    H    SER  96           HN       SER  96  -0.503   8.868  -8.682
  566    HA   SER  96           HA       SER  96   0.398   8.916  -5.959
  567    HG   SER  96           HG       SER  96  -2.761   8.108  -7.942
  568    HB2  SER  96           HB2      SER  96  -1.664   7.611  -5.499
  569    HB3  SER  96           HB3      SER  96  -1.957   9.150  -6.316
  570    H    LYS  97           HN       LYS  97   0.833   6.892  -8.614
  571    HA   LYS  97           HA       LYS  97   0.396   4.372  -7.468
  572    HB2  LYS  97           HB2      LYS  97   1.670   3.515  -9.454
  573    HB3  LYS  97           HB3      LYS  97   0.300   4.549  -9.817
  574    HG2  LYS  97           HG2      LYS  97   1.757   6.400 -10.296
  575    HG3  LYS  97           HG3      LYS  97   3.167   5.458  -9.799
  576    HD2  LYS  97           HD2      LYS  97   2.794   3.887 -11.607
  577    HD3  LYS  97           HD3      LYS  97   1.318   4.731 -12.071
  578    HE2  LYS  97           HE2      LYS  97   2.570   6.675 -12.717
  579    HE3  LYS  97           HE3      LYS  97   4.063   5.973 -12.089
  580    HZ1  LYS  97           HZ3      LYS  97   2.471   4.917 -14.367
  581    HZ2  LYS  97           HZ1      LYS  97   3.894   4.228 -13.751
  582    HZ3  LYS  97           HZ2      LYS  97   3.943   5.756 -14.486
  583    H    THR  98           HN       THR  98   3.126   6.472  -7.280
  584    HA   THR  98           HA       THR  98   4.853   4.301  -6.383
  585    HB   THR  98           HB       THR  98   6.448   6.418  -6.158
  586    HG1  THR  98           HG1      THR  98   5.785   8.115  -7.310
  587   HG21  THR  98          HG23      THR  98   7.262   5.946  -8.377
  588   HG22  THR  98          HG21      THR  98   5.714   5.237  -8.838
  589   HG23  THR  98          HG22      THR  98   6.726   4.436  -7.637
  590    H    PHE  99           HN       PHE  99   2.588   6.205  -5.033
  591    HA   PHE  99           HA       PHE  99   3.961   6.535  -2.472
  592    HD1  PHE  99           HD1      PHE  99   3.824   8.847  -1.230
  593    HD2  PHE  99           HD2      PHE  99   1.780   9.129  -4.954
  594    HE1  PHE  99           HE1      PHE  99   4.873  11.033  -1.636
  595    HE2  PHE  99           HE2      PHE  99   2.822  11.323  -5.364
  596    HZ   PHE  99           HZ       PHE  99   4.370  12.277  -3.700
  597    HB2  PHE  99           HB2      PHE  99   1.252   7.411  -3.490
  598    HB3  PHE  99           HB3      PHE  99   1.698   7.525  -1.792
  599    H    ILE 100           HN       ILE 100   2.257   4.270  -4.177
  600    HA   ILE 100           HA       ILE 100   0.758   3.038  -2.086
  601    HB   ILE 100           HB       ILE 100   1.753   1.694  -4.604
  602   HG12  ILE 100          HG12      ILE 100  -0.792   3.297  -4.203
  603   HG13  ILE 100          HG13      ILE 100   0.572   3.764  -5.213
  604   HG21  ILE 100          HG21      ILE 100  -0.307   0.333  -4.246
  605   HG22  ILE 100          HG22      ILE 100   0.908   0.163  -2.978
  606   HG23  ILE 100          HG23      ILE 100  -0.517   1.164  -2.703
  607   HD11  ILE 100          HD13      ILE 100  -1.241   1.404  -5.643
  608   HD12  ILE 100          HD11      ILE 100  -1.203   2.901  -6.577
  609   HD13  ILE 100          HD12      ILE 100   0.173   1.800  -6.622
  610    H    ILE 101           HN       ILE 101   1.927   2.335  -0.320
  611    HA   ILE 101           HA       ILE 101   4.650   1.416  -0.780
  612    HB   ILE 101           HB       ILE 101   4.894   1.472   1.686
  613   HG12  ILE 101          HG12      ILE 101   2.133   2.702   1.614
  614   HG13  ILE 101          HG13      ILE 101   2.490   1.084   2.207
  615   HG21  ILE 101          HG21      ILE 101   5.531   3.360   0.292
  616   HG22  ILE 101          HG22      ILE 101   3.892   4.004   0.393
  617   HG23  ILE 101          HG23      ILE 101   4.895   3.915   1.840
  618   HD11  ILE 101          HD13      ILE 101   3.459   3.679   3.369
  619   HD12  ILE 101          HD11      ILE 101   2.229   2.612   4.044
  620   HD13  ILE 101          HD12      ILE 101   3.907   2.078   3.958
  621    H    GLY 102           HN       GLY 102   1.613  -0.056  -0.332
  622    HA2  GLY 102           HA1      GLY 102   2.538  -2.611  -0.754
  623    HA3  GLY 102           HA2      GLY 102   2.579  -2.419   0.991
  624    H    GLU 103           HN       GLU 103   1.060  -4.349   0.447
  625    HA   GLU 103           HA       GLU 103  -1.683  -3.364   0.089
  626    HB2  GLU 103           HB2      GLU 103  -0.445  -6.081  -0.312
  627    HB3  GLU 103           HB3      GLU 103  -2.182  -5.866  -0.192
  628    HG2  GLU 103           HG2      GLU 103  -1.465  -6.002  -2.503
  629    HG3  GLU 103           HG3      GLU 103  -2.161  -4.426  -2.146
  630    H    LEU 104           HN       LEU 104  -3.128  -5.332   1.287
  631    HA   LEU 104           HA       LEU 104  -2.486  -4.864   4.108
  632    HG   LEU 104           HG       LEU 104  -4.507  -3.242   2.435
  633    HB2  LEU 104           HB2      LEU 104  -5.083  -5.631   2.776
  634    HB3  LEU 104           HB3      LEU 104  -4.884  -5.417   4.504
  635   HD11  LEU 104          HD11      LEU 104  -6.576  -2.302   3.337
  636   HD12  LEU 104          HD12      LEU 104  -6.856  -3.904   2.651
  637   HD13  LEU 104          HD13      LEU 104  -6.754  -3.700   4.398
  638   HD21  LEU 104          HD23      LEU 104  -3.105  -2.938   4.402
  639   HD22  LEU 104          HD21      LEU 104  -4.408  -1.750   4.365
  640   HD23  LEU 104          HD22      LEU 104  -4.508  -3.140   5.448
  641    H    HIS 105           HN       HIS 105  -2.971  -6.572   5.669
  642    HA   HIS 105           HA       HIS 105  -1.697  -9.008   5.063
  643    HD1  HIS 105           HD1      HIS 105  -3.248 -10.825   8.655
  644    HD2  HIS 105           HD2      HIS 105   0.290  -9.417   6.970
  645    HE1  HIS 105           HE1      HIS 105  -1.444 -12.405   9.435
  646    HE2  HIS 105           HE2      HIS 105   0.702 -11.427   8.559
  647    HB2  HIS 105           HB2      HIS 105  -2.203  -7.720   7.328
  648    HB3  HIS 105           HB3      HIS 105  -3.610  -8.773   7.355
  649    HA   PRO 106           HA       PRO 106  -4.328 -12.213   3.365
  650    HB2  PRO 106           HB2      PRO 106  -4.503 -13.008   6.248
  651    HB3  PRO 106           HB3      PRO 106  -4.271 -14.030   4.825
  652    HG2  PRO 106           HG2      PRO 106  -2.237 -13.057   6.430
  653    HG3  PRO 106           HG3      PRO 106  -2.036 -13.632   4.770
  654    HD2  PRO 106           HD2      PRO 106  -1.637 -10.998   5.726
  655    HD3  PRO 106           HD3      PRO 106  -1.660 -11.521   4.030
  656    H    ASP 107           HN       ASP 107  -5.610 -10.732   6.348
  657    HA   ASP 107           HA       ASP 107  -8.282 -11.791   5.841
  658    HB2  ASP 107           HB2      ASP 107  -7.137 -11.837   8.128
  659    HB3  ASP 107           HB3      ASP 107  -7.315 -10.087   8.151
  660    H    ASP 108           HN       ASP 108  -6.435  -8.935   6.083
  661    HA   ASP 108           HA       ASP 108  -8.530  -7.015   5.794
  662    HB2  ASP 108           HB2      ASP 108  -5.595  -6.539   5.321
  663    HB3  ASP 108           HB3      ASP 108  -6.787  -5.448   6.034
  664    H    ARG 109           HN       ARG 109  -6.638  -8.945   3.791
  665    HA   ARG 109           HA       ARG 109  -6.002  -7.241   1.657
  666    HE   ARG 109           HE       ARG 109  -5.693 -11.684  -0.372
  667    HB2  ARG 109           HB2      ARG 109  -4.859  -9.427   2.245
  668    HB3  ARG 109           HB3      ARG 109  -6.229 -10.251   1.515
  669    HG2  ARG 109           HG2      ARG 109  -5.736  -9.236  -0.636
  670    HG3  ARG 109           HG3      ARG 109  -4.406  -8.327   0.081
  671    HD2  ARG 109           HD2      ARG 109  -3.330 -10.129  -0.923
  672    HD3  ARG 109           HD3      ARG 109  -3.478 -10.635   0.758
  673   HH11  ARG 109          HH12      ARG 109  -2.281 -11.846  -1.203
  674   HH12  ARG 109          HH11      ARG 109  -2.426 -13.353  -2.052
  675   HH21  ARG 109          HH22      ARG 109  -5.859 -13.727  -1.463
  676   HH22  ARG 109          HH21      ARG 109  -4.438 -14.430  -2.160
  677    HA   PRO 110           HA       PRO 110  -9.886  -8.756  -0.538
  678    HB2  PRO 110           HB2      PRO 110 -11.547 -10.454   1.037
  679    HB3  PRO 110           HB3      PRO 110 -10.617 -10.885  -0.398
  680    HG2  PRO 110           HG2      PRO 110 -10.117 -11.810   2.175
  681    HG3  PRO 110           HG3      PRO 110  -8.965 -11.844   0.830
  682    HD2  PRO 110           HD2      PRO 110  -9.187  -9.913   3.094
  683    HD3  PRO 110           HD3      PRO 110  -7.736 -10.549   2.290
  684    H    LYS 111           HN       LYS 111  -9.984  -8.133   2.862
  685    HA   LYS 111           HA       LYS 111 -11.021  -6.512   4.075
  686    HB2  LYS 111           HB2      LYS 111 -11.841  -5.666   1.332
  687    HB3  LYS 111           HB3      LYS 111 -12.589  -4.907   2.731
  688    HG2  LYS 111           HG2      LYS 111 -10.471  -4.124   3.519
  689    HG3  LYS 111           HG3      LYS 111  -9.621  -5.043   2.272
  690    HD2  LYS 111           HD2      LYS 111  -9.816  -2.655   1.695
  691    HD3  LYS 111           HD3      LYS 111 -10.632  -3.701   0.533
  692    HE2  LYS 111           HE2      LYS 111 -12.101  -1.899   0.898
  693    HE3  LYS 111           HE3      LYS 111 -12.767  -3.237   1.836
  694    HZ1  LYS 111           HZ3      LYS 111 -12.844  -1.317   3.188
  695    HZ2  LYS 111           HZ1      LYS 111 -11.237  -0.900   2.828
  696    HZ3  LYS 111           HZ2      LYS 111 -11.575  -2.258   3.786
  697    H    LEU 112           HN       LEU 112 -13.034  -8.266   1.821
  698    HA   LEU 112           HA       LEU 112 -15.510  -7.572   3.067
  699    HG   LEU 112           HG       LEU 112 -17.387  -9.555   1.891
  700    HB2  LEU 112           HB2      LEU 112 -15.023  -8.171   0.611
  701    HB3  LEU 112           HB3      LEU 112 -15.050  -9.839   1.143
  702   HD11  LEU 112          HD11      LEU 112 -17.098  -6.803   0.684
  703   HD12  LEU 112          HD12      LEU 112 -18.616  -7.528   1.215
  704   HD13  LEU 112          HD13      LEU 112 -17.348  -7.176   2.390
  705   HD21  LEU 112          HD23      LEU 112 -18.385  -9.447  -0.329
  706   HD22  LEU 112          HD21      LEU 112 -16.900  -8.744  -0.975
  707   HD23  LEU 112          HD22      LEU 112 -16.897 -10.396  -0.355
  708    H    ASN 113           HN       ASN 113 -13.770  -8.762   4.985
  709    HA   ASN 113           HA       ASN 113 -13.883 -10.177   6.761
  710    HB2  ASN 113           HB2      ASN 113 -16.307  -9.787   6.715
  711    HB3  ASN 113           HB3      ASN 113 -16.505 -11.085   5.549
  712   HD21  ASN 113          HD21      ASN 113 -14.377 -11.166   8.374
  713   HD22  ASN 113          HD22      ASN 113 -15.254 -12.405   9.200
  714    H    LYS 114           HN       LYS 114 -13.744 -11.199   3.624
  715    HA   LYS 114           HA       LYS 114 -13.047 -12.994   2.474
  716    HB2  LYS 114           HB2      LYS 114 -11.365 -14.259   3.317
  717    HB3  LYS 114           HB3      LYS 114 -11.437 -13.122   4.652
  718    HG2  LYS 114           HG2      LYS 114 -12.952 -14.736   5.828
  719    HG3  LYS 114           HG3      LYS 114 -12.626 -15.890   4.536
  720    HD2  LYS 114           HD2      LYS 114 -11.197 -16.345   6.431
  721    HD3  LYS 114           HD3      LYS 114 -10.216 -15.755   5.085
  722    HE2  LYS 114           HE2      LYS 114  -9.555 -14.735   7.219
  723    HE3  LYS 114           HE3      LYS 114 -10.143 -13.545   6.063
  724    HZ1  LYS 114           HZ3      LYS 114 -10.983 -13.166   8.319
  725    HZ2  LYS 114           HZ1      LYS 114 -11.757 -14.679   8.297
  726    HZ3  LYS 114           HZ2      LYS 114 -12.246 -13.457   7.225
  727    HA   PRO 115           HA       PRO 115 -17.048 -14.887   2.582
  728    HB2  PRO 115           HB2      PRO 115 -15.815 -16.439   0.355
  729    HB3  PRO 115           HB3      PRO 115 -17.356 -15.577   0.409
  730    HG2  PRO 115           HG2      PRO 115 -15.279 -14.555  -0.903
  731    HG3  PRO 115           HG3      PRO 115 -16.364 -13.510   0.037
  732    HD2  PRO 115           HD2      PRO 115 -13.626 -14.496   0.703
  733    HD3  PRO 115           HD3      PRO 115 -14.371 -12.920   1.039
  734    HA   PRO 116           HA       PRO 116 -15.520 -18.421   4.915
  735    HB2  PRO 116           HB2      PRO 116 -18.106 -18.438   6.223
  736    HB3  PRO 116           HB3      PRO 116 -16.526 -18.032   6.898
  737    HG2  PRO 116           HG2      PRO 116 -18.492 -16.195   6.523
  738    HG3  PRO 116           HG3      PRO 116 -16.766 -15.796   6.454
  739    HD2  PRO 116           HD2      PRO 116 -18.682 -16.297   4.194
  740    HD3  PRO 116           HD3      PRO 116 -17.443 -15.032   4.360
  741    H    GLU 117           HN       GLU 117 -17.633 -20.159   5.911
  742    HA   GLU 117           HA       GLU 117 -17.928 -21.674   3.432
  743    HB2  GLU 117           HB2      GLU 117 -16.701 -22.524   5.546
  744    HB3  GLU 117           HB3      GLU 117 -18.308 -22.762   6.213
  745    HG2  GLU 117           HG2      GLU 117 -18.844 -24.395   4.611
  746    HG3  GLU 117           HG3      GLU 117 -17.468 -23.962   3.597
  747    H    THR 118           HN       THR 118 -19.938 -23.248   3.607
  748    HA   THR 118           HA       THR 118 -22.259 -21.677   4.519
  749    HB   THR 118           HB       THR 118 -22.150 -23.552   2.144
  750    HG1  THR 118           HG1      THR 118 -21.155 -21.192   2.232
  751   HG21  THR 118          HG23      THR 118 -24.370 -23.427   3.198
  752   HG22  THR 118          HG21      THR 118 -24.374 -22.646   1.615
  753   HG23  THR 118          HG22      THR 118 -24.326 -21.668   3.081
  754    H    LEU 119           HN       LEU 119 -23.888 -22.853   5.607
  755    HA   LEU 119           HA       LEU 119 -23.140 -25.624   6.271
  756    HG   LEU 119           HG       LEU 119 -21.976 -23.252   7.794
  757    HB2  LEU 119           HB2      LEU 119 -24.457 -23.595   8.086
  758    HB3  LEU 119           HB3      LEU 119 -24.112 -25.265   8.503
  759   HD11  LEU 119          HD11      LEU 119 -23.138 -22.546   9.817
  760   HD12  LEU 119          HD12      LEU 119 -22.922 -24.152  10.512
  761   HD13  LEU 119          HD13      LEU 119 -21.519 -23.135  10.193
  762   HD21  LEU 119          HD23      LEU 119 -21.822 -25.957   9.124
  763   HD22  LEU 119          HD21      LEU 119 -21.393 -25.614   7.448
  764   HD23  LEU 119          HD22      LEU 119 -20.466 -24.888   8.762
  765    H    ILE 120           HN       ILE 120 -25.119 -26.807   7.315
  766    HA   ILE 120           HA       ILE 120 -27.268 -26.601   5.350
  767    HB   ILE 120           HB       ILE 120 -26.921 -28.692   7.499
  768   HG12  ILE 120          HG12      ILE 120 -26.033 -28.800   4.607
  769   HG13  ILE 120          HG13      ILE 120 -24.954 -28.555   5.978
  770   HG21  ILE 120          HG21      ILE 120 -29.171 -28.493   6.531
  771   HG22  ILE 120          HG22      ILE 120 -28.493 -28.723   4.922
  772   HG23  ILE 120          HG23      ILE 120 -28.406 -30.026   6.110
  773   HD11  ILE 120          HD13      ILE 120 -26.631 -30.995   5.447
  774   HD12  ILE 120          HD11      ILE 120 -24.884 -30.856   5.246
  775   HD13  ILE 120          HD12      ILE 120 -25.599 -30.751   6.855
  776    H    THR 121           HN       THR 121 -29.252 -25.846   5.788
  777    HA   THR 121           HA       THR 121 -29.891 -25.195   8.563
  778    HB   THR 121           HB       THR 121 -30.233 -23.309   7.168
  779    HG1  THR 121           HG1      THR 121 -32.771 -24.512   7.629
  780   HG21  THR 121          HG23      THR 121 -31.871 -25.068   5.341
  781   HG22  THR 121          HG21      THR 121 -30.305 -24.331   4.992
  782   HG23  THR 121          HG22      THR 121 -31.728 -23.316   5.201
  783    H    THR 122           HN       THR 122 -29.990 -27.577   8.831
  784    HA   THR 122           HA       THR 122 -31.244 -29.351   9.495
  785    HB   THR 122           HB       THR 122 -33.684 -27.890   8.465
  786    HG1  THR 122           HG1      THR 122 -33.182 -27.800  11.166
  787   HG21  THR 122          HG23      THR 122 -33.414 -29.941  10.665
  788   HG22  THR 122          HG21      THR 122 -33.989 -30.287   9.034
  789   HG23  THR 122          HG22      THR 122 -34.905 -29.204  10.079
  790    H    ILE 123           HN       ILE 123 -33.222 -28.376   6.690
  791    HA   ILE 123           HA       ILE 123 -32.288 -30.786   5.286
  792    HB   ILE 123           HB       ILE 123 -35.207 -30.007   5.362
  793   HG12  ILE 123          HG12      ILE 123 -33.862 -32.289   6.826
  794   HG13  ILE 123          HG13      ILE 123 -34.474 -30.822   7.586
  795   HG21  ILE 123          HG21      ILE 123 -35.541 -32.192   4.308
  796   HG22  ILE 123          HG22      ILE 123 -34.477 -31.167   3.347
  797   HG23  ILE 123          HG23      ILE 123 -33.800 -32.468   4.326
  798   HD11  ILE 123          HD13      ILE 123 -36.730 -31.388   6.818
  799   HD12  ILE 123          HD11      ILE 123 -36.099 -32.878   6.117
  800   HD13  ILE 123          HD12      ILE 123 -36.042 -32.632   7.863
  801    H    ASP 124           HN       ASP 124 -34.889 -28.504   4.545
  802    HA   ASP 124           HA       ASP 124 -33.231 -27.408   2.374
  803    HB2  ASP 124           HB2      ASP 124 -36.234 -27.777   2.506
  804    HB3  ASP 124           HB3      ASP 124 -35.444 -26.760   1.306
  805    H    SER 125           HN       SER 125 -35.267 -25.293   1.971
  806    HA   SER 125           HA       SER 125 -34.306 -23.541   4.057
  807    HG   SER 125           HG       SER 125 -36.622 -22.222   1.047
  808    HB2  SER 125           HB2      SER 125 -35.381 -21.763   2.689
  809    HB3  SER 125           HB3      SER 125 -34.242 -22.741   1.769
  810    H    SER 126           HN       SER 126 -36.378 -21.751   4.372
  811    HA   SER 126           HA       SER 126 -38.408 -23.415   5.712
  812    HG   SER 126           HG       SER 126 -36.412 -22.831   6.917
  813    HB2  SER 126           HB2      SER 126 -37.690 -20.528   6.290
  814    HB3  SER 126           HB3      SER 126 -38.700 -21.590   7.273
  815    H    SER 127           HN       SER 127 -39.814 -20.584   5.939
  816    HA   SER 127           HA       SER 127 -41.567 -20.690   3.751
  817    HG   SER 127           HG       SER 127 -42.347 -18.957   6.888
  818    HB2  SER 127           HB2      SER 127 -40.901 -18.158   5.253
  819    HB3  SER 127           HB3      SER 127 -42.463 -18.679   4.617
  820    H    SER 128           HN       SER 128 -38.458 -19.275   4.221
  821    HA   SER 128           HA       SER 128 -38.438 -18.370   1.427
  822    HG   SER 128           HG       SER 128 -36.129 -15.839   2.050
  823    HB2  SER 128           HB2      SER 128 -37.907 -16.607   3.151
  824    HB3  SER 128           HB3      SER 128 -36.516 -17.574   3.640
  825    HHA  HEM 129           HHA      HEM 129  -6.489  17.389  -6.075
  826    HHB  HEM 129           HHB      HEM 129  -2.026  12.750  -5.823
  827    HHC  HEM 129           HHC      HEM 129  -5.058  10.130  -0.822
  828    HHD  HEM 129           HHD      HEM 129  -9.474  14.843  -0.970
  829    HAB  HEM 129           HAB      HEM 129  -1.840   9.429  -1.104
  830    HAC  HEM 129           HAC      HEM 129 -10.378  12.890   0.385
  831   HMA1  HEM 129          HMA1      HEM 129  -2.183  15.553  -8.520
  832   HMA2  HEM 129          HMA2      HEM 129  -1.239  15.153  -7.085
  833   HMA3  HEM 129          HMA3      HEM 129  -1.986  13.869  -8.047
  834   HAA1  HEM 129          HAA1      HEM 129  -3.947  17.517  -8.296
  835   HAA2  HEM 129          HAA2      HEM 129  -4.213  16.123  -8.775
  836   HBA1  HEM 129          HBA1      HEM 129  -6.326  17.653  -9.154
  837   HBA2  HEM 129          HBA2      HEM 129  -6.736  16.096  -8.402
  838   HMB1  HEM 129          HMB1      HEM 129  -0.129  11.287  -3.659
  839   HMB2  HEM 129          HMB2      HEM 129  -0.906  10.156  -4.947
  840   HMB3  HEM 129          HMB3      HEM 129  -0.904  10.033  -3.427
  841   HBB1  HEM 129          HBB1      HEM 129  -4.057   8.045  -2.672
  842   HBB2  HEM 129          HBB2      HEM 129  -2.864   7.302  -1.436
  843   HMC1  HEM 129          HMC1      HEM 129  -6.651  10.646   1.774
  844   HMC2  HEM 129          HMC2      HEM 129  -8.177  10.038   1.122
  845   HMC3  HEM 129          HMC3      HEM 129  -6.599   9.569   0.395
  846   HBC1  HEM 129          HBC1      HEM 129 -10.294  12.484   2.711
  847   HBC2  HEM 129          HBC2      HEM 129  -8.465  12.208   2.664
  848   HMD1  HEM 129          HMD1      HEM 129 -10.588  16.563  -1.427
  849   HMD2  HEM 129          HMD2      HEM 129 -10.930  17.776  -2.816
  850   HMD3  HEM 129          HMD3      HEM 129  -9.722  17.715  -1.910
  851   HAD1  HEM 129          HAD1      HEM 129  -9.500  18.960  -4.635
  852   HAD2  HEM 129          HAD2      HEM 129  -8.083  18.662  -4.974
  853   HBD1  HEM 129          HBD1      HEM 129  -7.808  17.703  -6.864
  854   HBD2  HEM 129          HBD2      HEM 129  -8.640  19.272  -6.923
  Start of MODEL    6
    1    HA   MET  21           HA       MET  21  15.939   0.823  -2.717
    2    H1   MET  21           1H       MET  21  13.994   2.481  -4.056
    3    HB2  MET  21           HB2      MET  21  14.310   1.558  -0.890
    4    HB3  MET  21           HB3      MET  21  13.076   0.649  -1.755
    5    HG2  MET  21           HG2      MET  21  14.364  -1.390  -1.469
    6    HG3  MET  21           HG3      MET  21  15.626  -0.477  -0.646
    7    HE1  MET  21           HE3      MET  21  11.935  -1.771  -0.477
    8    HE2  MET  21           HE1      MET  21  11.367  -1.086   1.044
    9    HE3  MET  21           HE2      MET  21  11.709  -0.030  -0.327
   10    H    ALA  22           HN       ALA  22  13.035  -0.833  -2.737
   11    HA   ALA  22           HA       ALA  22  12.786  -1.244  -5.570
   12    HB1  ALA  22           HB3      ALA  22  13.791  -3.540  -3.884
   13    HB2  ALA  22           HB1      ALA  22  13.390  -3.589  -5.598
   14    HB3  ALA  22           HB2      ALA  22  14.769  -2.633  -5.041
   15    H    GLU  23           HN       GLU  23  10.929  -2.533  -6.079
   16    HA   GLU  23           HA       GLU  23   8.877  -2.514  -4.122
   17    HB2  GLU  23           HB2      GLU  23   7.583  -3.836  -5.855
   18    HB3  GLU  23           HB3      GLU  23   8.158  -2.261  -6.362
   19    HG2  GLU  23           HG2      GLU  23   9.590  -4.829  -7.038
   20    HG3  GLU  23           HG3      GLU  23   8.339  -4.125  -8.053
   21    H    GLN  24           HN       GLN  24  10.039  -5.319  -5.931
   22    HA   GLN  24           HA       GLN  24  11.153  -6.901  -4.038
   23    HB2  GLN  24           HB2      GLN  24   8.190  -6.961  -3.841
   24    HB3  GLN  24           HB3      GLN  24   8.963  -8.536  -3.954
   25    HG2  GLN  24           HG2      GLN  24   9.514  -6.425  -1.874
   26    HG3  GLN  24           HG3      GLN  24   8.579  -7.902  -1.640
   27   HE21  GLN  24          HE21      GLN  24  11.759  -6.545  -2.056
   28   HE22  GLN  24          HE22      GLN  24  12.647  -7.941  -1.562
   29    H    SER  25           HN       SER  25   8.360  -7.764  -5.949
   30    HA   SER  25           HA       SER  25   9.949  -8.316  -8.312
   31    HG   SER  25           HG       SER  25  10.858 -10.909  -7.511
   32    HB2  SER  25           HB2      SER  25   8.152 -10.452  -7.090
   33    HB3  SER  25           HB3      SER  25   9.061 -10.586  -8.599
   34    H    ASP  26           HN       ASP  26   8.324  -8.840 -10.188
   35    HA   ASP  26           HA       ASP  26   6.409  -6.807 -10.351
   36    HB2  ASP  26           HB2      ASP  26   7.408  -7.986 -12.297
   37    HB3  ASP  26           HB3      ASP  26   6.475  -9.424 -11.894
   38    H    GLU  27           HN       GLU  27   6.148 -10.143  -9.386
   39    HA   GLU  27           HA       GLU  27   3.286 -10.227  -9.496
   40    HB2  GLU  27           HB2      GLU  27   4.692 -12.094 -10.280
   41    HB3  GLU  27           HB3      GLU  27   5.322 -12.286  -8.651
   42    HG2  GLU  27           HG2      GLU  27   3.154 -12.949  -7.848
   43    HG3  GLU  27           HG3      GLU  27   2.444 -12.634  -9.430
   44    H    ALA  28           HN       ALA  28   5.688  -9.687  -7.052
   45    HA   ALA  28           HA       ALA  28   3.872 -10.686  -4.975
   46    HB1  ALA  28           HB3      ALA  28   5.824 -10.828  -3.516
   47    HB2  ALA  28           HB1      ALA  28   6.067 -11.742  -5.013
   48    HB3  ALA  28           HB2      ALA  28   6.828 -10.163  -4.805
   49    H    VAL  29           HN       VAL  29   2.717  -9.275  -3.960
   50    HA   VAL  29           HA       VAL  29   3.675  -6.522  -3.557
   51    HB   VAL  29           HB       VAL  29   0.915  -7.639  -2.984
   52   HG11  VAL  29          HG11      VAL  29   1.890  -4.799  -3.214
   53   HG12  VAL  29          HG12      VAL  29   0.232  -5.309  -2.878
   54   HG13  VAL  29          HG13      VAL  29   1.514  -5.633  -1.704
   55   HG21  VAL  29          HG23      VAL  29   1.337  -7.821  -5.346
   56   HG22  VAL  29          HG21      VAL  29   0.241  -6.465  -5.064
   57   HG23  VAL  29          HG22      VAL  29   1.940  -6.169  -5.398
   58    H    LYS  30           HN       LYS  30   4.314  -5.818  -1.588
   59    HA   LYS  30           HA       LYS  30   4.524  -7.665   0.598
   60    HB2  LYS  30           HB2      LYS  30   4.886  -4.663   0.554
   61    HB3  LYS  30           HB3      LYS  30   5.279  -5.704   1.911
   62    HG2  LYS  30           HG2      LYS  30   6.872  -6.898   0.348
   63    HG3  LYS  30           HG3      LYS  30   6.609  -5.550  -0.767
   64    HD2  LYS  30           HD2      LYS  30   7.605  -5.311   2.079
   65    HD3  LYS  30           HD3      LYS  30   8.598  -5.222   0.630
   66    HE2  LYS  30           HE2      LYS  30   7.592  -3.206  -0.081
   67    HE3  LYS  30           HE3      LYS  30   6.308  -3.346   1.118
   68    HZ1  LYS  30           HZ3      LYS  30   9.101  -3.192   2.035
   69    HZ2  LYS  30           HZ1      LYS  30   7.685  -2.687   2.814
   70    HZ3  LYS  30           HZ2      LYS  30   8.317  -1.766   1.540
   71    H    TYR  31           HN       TYR  31   3.324  -7.699   2.539
   72    HA   TYR  31           HA       TYR  31   0.800  -6.222   2.398
   73    HD1  TYR  31           HD2      TYR  31  -0.241  -7.643   1.043
   74    HD2  TYR  31           HD1      TYR  31   1.240 -10.716   3.568
   75    HE1  TYR  31           HE2      TYR  31  -0.731  -9.297  -0.690
   76    HE2  TYR  31           HE1      TYR  31   0.751 -12.384   1.842
   77    HH   TYR  31           HH       TYR  31   0.029 -11.576  -1.342
   78    HB2  TYR  31           HB2      TYR  31   1.507  -8.531   4.222
   79    HB3  TYR  31           HB3      TYR  31  -0.077  -7.813   4.007
   80    H    TYR  32           HN       TYR  32  -0.001  -5.300   4.387
   81    HA   TYR  32           HA       TYR  32   2.016  -4.989   6.491
   82    HD1  TYR  32           HD2      TYR  32   1.436  -3.038   3.252
   83    HD2  TYR  32           HD1      TYR  32   3.378  -2.077   6.908
   84    HE1  TYR  32           HE2      TYR  32   3.358  -2.185   1.997
   85    HE2  TYR  32           HE1      TYR  32   5.304  -1.240   5.649
   86    HH   TYR  32           HH       TYR  32   5.229  -0.723   2.240
   87    HB2  TYR  32           HB2      TYR  32   0.173  -2.837   5.421
   88    HB3  TYR  32           HB3      TYR  32   1.080  -2.702   6.928
   89    H    THR  33           HN       THR  33   1.094  -4.725   8.638
   90    HA   THR  33           HA       THR  33  -1.323  -6.303   8.863
   91    HB   THR  33           HB       THR  33  -0.939  -6.196  11.308
   92    HG1  THR  33           HG1      THR  33   1.288  -4.592  10.504
   93   HG21  THR  33          HG23      THR  33   1.511  -7.018   9.779
   94   HG22  THR  33          HG21      THR  33   0.018  -7.960   9.858
   95   HG23  THR  33          HG22      THR  33   0.955  -7.642  11.326
   96    H    LEU  34           HN       LEU  34  -3.308  -5.596   9.495
   97    HA   LEU  34           HA       LEU  34  -3.967  -2.988   8.756
   98    HG   LEU  34           HG       LEU  34  -6.486  -2.504  10.179
   99    HB2  LEU  34           HB2      LEU  34  -5.499  -4.933   8.699
  100    HB3  LEU  34           HB3      LEU  34  -5.589  -4.894  10.440
  101   HD11  LEU  34          HD11      LEU  34  -7.508  -1.953   8.038
  102   HD12  LEU  34          HD12      LEU  34  -5.764  -2.202   7.857
  103   HD13  LEU  34          HD13      LEU  34  -6.895  -3.460   7.355
  104   HD21  LEU  34          HD23      LEU  34  -7.898  -4.377  10.816
  105   HD22  LEU  34          HD21      LEU  34  -8.763  -3.249   9.766
  106   HD23  LEU  34          HD22      LEU  34  -8.142  -4.768   9.115
  107    H    GLU  35           HN       GLU  35  -3.269  -4.509  11.759
  108    HA   GLU  35           HA       GLU  35  -4.303  -2.586  13.552
  109    HB2  GLU  35           HB2      GLU  35  -2.896  -3.781  15.239
  110    HB3  GLU  35           HB3      GLU  35  -3.932  -4.849  14.303
  111    HG2  GLU  35           HG2      GLU  35  -1.186  -4.425  13.307
  112    HG3  GLU  35           HG3      GLU  35  -1.367  -5.363  14.782
  113    H    GLU  36           HN       GLU  36  -1.378  -2.768  11.713
  114    HA   GLU  36           HA       GLU  36   0.027  -0.902  13.439
  115    HB2  GLU  36           HB2      GLU  36   1.960  -1.381  12.185
  116    HB3  GLU  36           HB3      GLU  36   1.106  -2.906  12.255
  117    HG2  GLU  36           HG2      GLU  36   0.308  -2.613   9.965
  118    HG3  GLU  36           HG3      GLU  36   1.073  -1.019   9.899
  119    H    ILE  37           HN       ILE  37  -1.625  -1.053  10.420
  120    HA   ILE  37           HA       ILE  37  -0.836   1.476   9.388
  121    HB   ILE  37           HB       ILE  37  -3.306  -0.151   8.763
  122   HG12  ILE  37          HG12      ILE  37  -0.640  -0.076   7.325
  123   HG13  ILE  37          HG13      ILE  37  -1.124  -1.346   8.442
  124   HG21  ILE  37          HG21      ILE  37  -3.459   2.194   8.040
  125   HG22  ILE  37          HG22      ILE  37  -1.946   2.008   7.157
  126   HG23  ILE  37          HG23      ILE  37  -3.370   1.092   6.666
  127   HD11  ILE  37          HD13      ILE  37  -2.531  -0.655   5.874
  128   HD12  ILE  37          HD11      ILE  37  -1.447  -2.019   6.132
  129   HD13  ILE  37          HD12      ILE  37  -2.974  -1.934   6.997
  130    H    GLN  38           HN       GLN  38  -3.369   0.344  11.468
  131    HA   GLN  38           HA       GLN  38  -4.968   2.624  11.632
  132    HB2  GLN  38           HB2      GLN  38  -4.330   0.418  13.586
  133    HB3  GLN  38           HB3      GLN  38  -5.428   1.717  14.005
  134    HG2  GLN  38           HG2      GLN  38  -5.786  -0.053  11.610
  135    HG3  GLN  38           HG3      GLN  38  -6.511  -0.379  13.176
  136   HE21  GLN  38          HE21      GLN  38  -6.138   2.822  11.727
  137   HE22  GLN  38          HE22      GLN  38  -7.829   3.111  11.545
  138    H    LYS  39           HN       LYS  39  -1.953   1.804  13.161
  139    HA   LYS  39           HA       LYS  39  -2.057   4.049  14.994
  140    HB2  LYS  39           HB2      LYS  39  -1.166   1.567  15.354
  141    HB3  LYS  39           HB3      LYS  39   0.312   2.257  14.701
  142    HG2  LYS  39           HG2      LYS  39   0.534   3.772  16.478
  143    HG3  LYS  39           HG3      LYS  39  -1.127   3.511  17.018
  144    HD2  LYS  39           HD2      LYS  39   0.362   2.384  18.522
  145    HD3  LYS  39           HD3      LYS  39  -0.527   1.190  17.588
  146    HE2  LYS  39           HE2      LYS  39   1.416   0.904  16.111
  147    HE3  LYS  39           HE3      LYS  39   2.307   2.081  17.082
  148    HZ1  LYS  39           HZ3      LYS  39   1.994   0.595  19.005
  149    HZ2  LYS  39           HZ1      LYS  39   2.892  -0.111  17.754
  150    HZ3  LYS  39           HZ2      LYS  39   1.272  -0.559  17.993
  151    H    HIS  40           HN       HIS  40  -1.508   3.899  11.888
  152    HA   HIS  40           HA       HIS  40   0.772   5.753  11.909
  153    HD1  HIS  40           HD1      HIS  40   1.713   1.727   9.872
  154    HD2  HIS  40           HD2      HIS  40   2.908   4.861  12.323
  155    HE1  HIS  40           HE1      HIS  40   3.773   0.898  11.059
  156    HE2  HIS  40           HE2      HIS  40   4.573   2.883  12.410
  157    HB2  HIS  40           HB2      HIS  40   0.050   3.605   9.912
  158    HB3  HIS  40           HB3      HIS  40   1.132   4.932   9.508
  159    H    ASN  41           HN       ASN  41  -1.709   6.693  12.371
  160    HA   ASN  41           HA       ASN  41  -2.896   7.514   9.792
  161    HB2  ASN  41           HB2      ASN  41  -4.979   7.762  11.016
  162    HB3  ASN  41           HB3      ASN  41  -4.318   6.163  11.335
  163   HD21  ASN  41          HD21      ASN  41  -6.142   7.987  12.873
  164   HD22  ASN  41          HD22      ASN  41  -5.444   8.075  14.456
  165    H    HIS  42           HN       HIS  42  -0.660   8.861  11.445
  166    HA   HIS  42           HA       HIS  42  -1.950  11.426  11.971
  167    HD1  HIS  42           HD1      HIS  42   1.425   9.845  13.322
  168    HD2  HIS  42           HD2      HIS  42  -1.589   8.301  15.735
  169    HE1  HIS  42           HE1      HIS  42   2.453   7.886  14.543
  170    HE2  HIS  42           HE2      HIS  42   0.653   7.077  16.106
  171    HB2  HIS  42           HB2      HIS  42  -0.964  11.488  14.293
  172    HB3  HIS  42           HB3      HIS  42  -2.269  10.331  14.067
  173    H    SER  43           HN       SER  43   0.169  12.414  13.573
  174    HA   SER  43           HA       SER  43   1.718  13.737  11.741
  175    HG   SER  43           HG       SER  43   2.756  13.311  15.657
  176    HB2  SER  43           HB2      SER  43   3.241  14.190  13.709
  177    HB3  SER  43           HB3      SER  43   1.540  14.559  13.968
  178    H    LYS  44           HN       LYS  44   2.929  11.135  13.838
  179    HA   LYS  44           HA       LYS  44   5.484  11.075  12.637
  180    HB2  LYS  44           HB2      LYS  44   4.084   9.409  14.676
  181    HB3  LYS  44           HB3      LYS  44   5.632   8.869  14.033
  182    HG2  LYS  44           HG2      LYS  44   5.037  11.403  15.536
  183    HG3  LYS  44           HG3      LYS  44   6.052  10.052  16.045
  184    HD2  LYS  44           HD2      LYS  44   6.606  11.962  13.775
  185    HD3  LYS  44           HD3      LYS  44   7.453  11.896  15.321
  186    HE2  LYS  44           HE2      LYS  44   8.270   9.644  14.771
  187    HE3  LYS  44           HE3      LYS  44   7.410   9.714  13.227
  188    HZ1  LYS  44           HZ3      LYS  44   9.817  10.249  13.095
  189    HZ2  LYS  44           HZ1      LYS  44   9.533  11.624  14.042
  190    HZ3  LYS  44           HZ2      LYS  44   8.814  11.487  12.516
  191    H    SER  45           HN       SER  45   2.807  10.009  11.201
  192    HA   SER  45           HA       SER  45   4.012   8.719   9.131
  193    HG   SER  45           HG       SER  45   3.769   6.579   8.379
  194    HB2  SER  45           HB2      SER  45   4.541   6.867  10.713
  195    HB3  SER  45           HB3      SER  45   2.813   6.671  11.027
  196    H    THR  46           HN       THR  46   2.534   8.865   7.497
  197    HA   THR  46           HA       THR  46  -0.293   8.928   8.291
  198    HB   THR  46           HB       THR  46   0.870  10.595   6.053
  199    HG1  THR  46           HG1      THR  46   0.671  11.083   8.811
  200   HG21  THR  46          HG23      THR  46  -1.505  10.176   5.863
  201   HG22  THR  46          HG21      THR  46  -1.243  11.855   6.336
  202   HG23  THR  46          HG22      THR  46  -1.756  10.666   7.533
  203    H    TRP  47           HN       TRP  47  -0.591   6.753   7.694
  204    HA   TRP  47           HA       TRP  47  -0.245   6.140   4.847
  205    HD1  TRP  47           HD1      TRP  47   1.915   6.213   5.751
  206    HE1  TRP  47           HE1      TRP  47   4.190   5.099   6.174
  207    HE3  TRP  47           HE3      TRP  47   0.299   1.584   7.149
  208    HZ2  TRP  47           HZ2      TRP  47   5.163   2.607   6.992
  209    HZ3  TRP  47           HZ3      TRP  47   1.971  -0.117   7.739
  210    HH2  TRP  47           HH2      TRP  47   4.359   0.387   7.660
  211    HB2  TRP  47           HB2      TRP  47  -0.791   4.304   7.198
  212    HB3  TRP  47           HB3      TRP  47  -0.739   3.778   5.524
  213    H    LEU  48           HN       LEU  48  -2.022   5.176   3.710
  214    HA   LEU  48           HA       LEU  48  -4.572   5.124   5.054
  215    HG   LEU  48           HG       LEU  48  -4.580   6.230   1.410
  216    HB2  LEU  48           HB2      LEU  48  -5.769   6.562   3.574
  217    HB3  LEU  48           HB3      LEU  48  -4.401   7.454   4.186
  218   HD11  LEU  48          HD11      LEU  48  -4.834   9.084   2.356
  219   HD12  LEU  48          HD12      LEU  48  -4.698   8.586   0.670
  220   HD13  LEU  48          HD13      LEU  48  -6.096   8.095   1.629
  221   HD21  LEU  48          HD23      LEU  48  -2.509   8.058   2.641
  222   HD22  LEU  48          HD21      LEU  48  -2.281   6.346   2.277
  223   HD23  LEU  48          HD22      LEU  48  -2.541   7.497   0.966
  224    H    ILE  49           HN       ILE  49  -6.280   4.081   3.717
  225    HA   ILE  49           HA       ILE  49  -5.000   2.150   1.901
  226    HB   ILE  49           HB       ILE  49  -7.419   1.716   3.668
  227   HG12  ILE  49          HG12      ILE  49  -4.604   0.603   3.823
  228   HG13  ILE  49          HG13      ILE  49  -5.253   1.871   4.859
  229   HG21  ILE  49          HG21      ILE  49  -5.967  -0.206   1.849
  230   HG22  ILE  49          HG22      ILE  49  -7.309  -0.611   2.922
  231   HG23  ILE  49          HG23      ILE  49  -7.565   0.483   1.561
  232   HD11  ILE  49          HD13      ILE  49  -5.226  -0.260   6.001
  233   HD12  ILE  49          HD11      ILE  49  -6.885   0.298   5.773
  234   HD13  ILE  49          HD12      ILE  49  -6.228  -0.979   4.741
  235    H    LEU  50           HN       LEU  50  -5.845   1.832  -0.069
  236    HA   LEU  50           HA       LEU  50  -8.305   3.286  -0.744
  237    HG   LEU  50           HG       LEU  50  -5.982   5.746  -2.340
  238    HB2  LEU  50           HB2      LEU  50  -5.638   3.293  -2.148
  239    HB3  LEU  50           HB3      LEU  50  -7.109   3.727  -2.982
  240   HD11  LEU  50          HD11      LEU  50  -7.661   6.825  -0.919
  241   HD12  LEU  50          HD12      LEU  50  -8.379   5.840  -2.198
  242   HD13  LEU  50          HD13      LEU  50  -8.334   5.234  -0.542
  243   HD21  LEU  50          HD23      LEU  50  -4.586   4.896  -0.565
  244   HD22  LEU  50          HD21      LEU  50  -5.503   6.300  -0.024
  245   HD23  LEU  50          HD22      LEU  50  -6.000   4.686   0.464
  246    H    HIS  51           HN       HIS  51  -9.418   1.292  -0.602
  247    HA   HIS  51           HA       HIS  51 -10.549  -0.392  -1.613
  248    HD1  HIS  51           HD1      HIS  51 -11.586  -0.844  -5.351
  249    HD2  HIS  51           HD2      HIS  51 -10.410   2.562  -3.263
  250    HE1  HIS  51           HE1      HIS  51 -13.240   0.965  -6.016
  251    HE2  HIS  51           HE2      HIS  51 -12.601   2.973  -4.597
  252    HB2  HIS  51           HB2      HIS  51  -8.590   0.120  -3.849
  253    HB3  HIS  51           HB3      HIS  51  -9.653  -1.282  -3.878
  254    H    HIS  52           HN       HIS  52  -7.029  -0.785  -1.999
  255    HA   HIS  52           HA       HIS  52  -7.123  -3.230  -0.370
  256    HD1  HIS  52           HD1      HIS  52  -5.958  -6.343  -2.953
  257    HD2  HIS  52           HD2      HIS  52  -9.328  -4.017  -2.219
  258    HE1  HIS  52           HE1      HIS  52  -7.917  -7.883  -3.278
  259    HE2  HIS  52           HE2      HIS  52  -9.931  -6.501  -2.630
  260    HB2  HIS  52           HB2      HIS  52  -6.358  -3.057  -3.248
  261    HB3  HIS  52           HB3      HIS  52  -5.377  -4.062  -2.218
  262    H    LYS  53           HN       LYS  53  -5.291  -0.775  -2.096
  263    HA   LYS  53           HA       LYS  53  -2.799  -1.684  -0.963
  264    HB2  LYS  53           HB2      LYS  53  -3.396   0.519  -2.948
  265    HB3  LYS  53           HB3      LYS  53  -1.786   0.152  -2.351
  266    HG2  LYS  53           HG2      LYS  53  -1.869  -0.926  -4.388
  267    HG3  LYS  53           HG3      LYS  53  -2.195  -2.209  -3.231
  268    HD2  LYS  53           HD2      LYS  53  -3.877  -2.678  -4.672
  269    HD3  LYS  53           HD3      LYS  53  -4.709  -1.426  -3.756
  270    HE2  LYS  53           HE2      LYS  53  -3.137  -0.915  -6.260
  271    HE3  LYS  53           HE3      LYS  53  -4.868  -1.205  -6.249
  272    HZ1  LYS  53           HZ3      LYS  53  -4.525   1.124  -6.313
  273    HZ2  LYS  53           HZ1      LYS  53  -3.427   1.069  -5.025
  274    HZ3  LYS  53           HZ2      LYS  53  -5.063   0.760  -4.746
  275    H    VAL  54           HN       VAL  54  -1.582  -0.670   0.521
  276    HA   VAL  54           HA       VAL  54  -2.771   1.604   1.940
  277    HB   VAL  54           HB       VAL  54  -1.964  -0.303   3.263
  278   HG11  VAL  54          HG11      VAL  54   0.489  -0.698   3.462
  279   HG12  VAL  54          HG12      VAL  54  -0.194  -1.147   1.898
  280   HG13  VAL  54          HG13      VAL  54   0.717   0.355   2.063
  281   HG21  VAL  54          HG23      VAL  54  -0.343   2.212   3.642
  282   HG22  VAL  54          HG21      VAL  54  -1.950   1.885   4.291
  283   HG23  VAL  54          HG22      VAL  54  -0.561   0.956   4.866
  284    H    TYR  55           HN       TYR  55  -1.746   3.628   2.002
  285    HA   TYR  55           HA       TYR  55   0.619   3.919   0.242
  286    HD1  TYR  55           HD2      TYR  55  -2.802   3.457  -0.106
  287    HD2  TYR  55           HD1      TYR  55  -0.665   6.052  -2.692
  288    HE1  TYR  55           HE2      TYR  55  -4.023   2.521  -2.004
  289    HE2  TYR  55           HE1      TYR  55  -1.884   5.139  -4.601
  290    HH   TYR  55           HH       TYR  55  -4.643   3.578  -4.464
  291    HB2  TYR  55           HB2      TYR  55  -1.626   5.938   0.524
  292    HB3  TYR  55           HB3      TYR  55  -0.186   6.123  -0.460
  293    H    ASP  56           HN       ASP  56   1.823   5.987   0.709
  294    HA   ASP  56           HA       ASP  56   1.387   6.977   3.457
  295    HB2  ASP  56           HB2      ASP  56   3.359   5.545   3.561
  296    HB3  ASP  56           HB3      ASP  56   4.082   6.378   2.183
  297    H    LEU  57           HN       LEU  57   1.660   9.254   3.716
  298    HA   LEU  57           HA       LEU  57   2.296  10.664   1.197
  299    HG   LEU  57           HG       LEU  57  -1.177  11.936   1.844
  300    HB2  LEU  57           HB2      LEU  57   0.750  11.852   3.496
  301    HB3  LEU  57           HB3      LEU  57   1.059  12.596   1.948
  302   HD11  LEU  57          HD11      LEU  57  -1.267  10.171   0.175
  303   HD12  LEU  57          HD12      LEU  57   0.013  11.327  -0.163
  304   HD13  LEU  57          HD13      LEU  57   0.405   9.750   0.519
  305   HD21  LEU  57          HD23      LEU  57  -1.986   9.690   2.462
  306   HD22  LEU  57          HD21      LEU  57  -0.360   9.285   3.021
  307   HD23  LEU  57          HD22      LEU  57  -1.272  10.570   3.812
  308    H    THR  58           HN       THR  58   2.510  11.066   4.687
  309    HA   THR  58           HA       THR  58   3.825  12.282   6.052
  310    HB   THR  58           HB       THR  58   6.322  11.930   5.668
  311    HG1  THR  58           HG1      THR  58   5.514   9.931   3.833
  312   HG21  THR  58          HG23      THR  58   4.536   9.510   5.853
  313   HG22  THR  58          HG21      THR  58   4.946  10.588   7.186
  314   HG23  THR  58          HG22      THR  58   6.202   9.623   6.413
  315    H    LYS  59           HN       LYS  59   5.741  12.745   3.135
  316    HA   LYS  59           HA       LYS  59   6.250  15.501   3.770
  317    HB2  LYS  59           HB2      LYS  59   6.860  13.962   1.229
  318    HB3  LYS  59           HB3      LYS  59   7.607  15.473   1.747
  319    HG2  LYS  59           HG2      LYS  59   8.711  14.408   3.547
  320    HG3  LYS  59           HG3      LYS  59   7.780  12.928   3.325
  321    HD2  LYS  59           HD2      LYS  59   8.845  12.647   1.116
  322    HD3  LYS  59           HD3      LYS  59   9.829  14.077   1.435
  323    HE2  LYS  59           HE2      LYS  59  11.040  11.984   1.912
  324    HE3  LYS  59           HE3      LYS  59  10.850  13.012   3.338
  325    HZ1  LYS  59           HZ3      LYS  59  10.417  10.555   3.644
  326    HZ2  LYS  59           HZ1      LYS  59   8.995  10.772   2.750
  327    HZ3  LYS  59           HZ2      LYS  59   9.209  11.595   4.218
  328    H    PHE  60           HN       PHE  60   4.167  13.687   1.668
  329    HA   PHE  60           HA       PHE  60   3.621  15.651  -0.263
  330    HD1  PHE  60           HD1      PHE  60   3.511  15.069  -2.390
  331    HD2  PHE  60           HD2      PHE  60  -0.053  13.258  -0.920
  332    HE1  PHE  60           HE1      PHE  60   2.406  15.510  -4.547
  333    HE2  PHE  60           HE2      PHE  60  -1.169  13.696  -3.062
  334    HZ   PHE  60           HZ       PHE  60   0.058  14.992  -4.845
  335    HB2  PHE  60           HB2      PHE  60   3.261  13.118  -0.399
  336    HB3  PHE  60           HB3      PHE  60   1.751  13.402   0.462
  337    H    LEU  61           HN       LEU  61   2.572  15.337   2.884
  338    HA   LEU  61           HA       LEU  61  -0.131  16.006   2.928
  339    HG   LEU  61           HG       LEU  61   1.797  14.111   4.493
  340    HB2  LEU  61           HB2      LEU  61   2.013  16.518   4.982
  341    HB3  LEU  61           HB3      LEU  61   0.292  16.609   5.295
  342   HD11  LEU  61          HD11      LEU  61   1.352  13.392   6.790
  343   HD12  LEU  61          HD12      LEU  61   2.352  14.851   6.733
  344   HD13  LEU  61          HD13      LEU  61   0.639  14.965   7.139
  345   HD21  LEU  61          HD23      LEU  61  -0.292  12.956   4.994
  346   HD22  LEU  61          HD21      LEU  61  -1.074  14.496   5.327
  347   HD23  LEU  61          HD22      LEU  61  -0.530  14.121   3.694
  348    H    GLU  62           HN       GLU  62   2.611  18.015   2.437
  349    HA   GLU  62           HA       GLU  62   1.050  20.446   3.031
  350    HB2  GLU  62           HB2      GLU  62   3.299  21.538   3.247
  351    HB3  GLU  62           HB3      GLU  62   2.982  20.283   4.442
  352    HG2  GLU  62           HG2      GLU  62   4.303  18.710   3.020
  353    HG3  GLU  62           HG3      GLU  62   4.708  20.077   1.980
  354    H    GLU  63           HN       GLU  63   1.791  18.577   0.532
  355    HA   GLU  63           HA       GLU  63   2.417  20.776  -1.339
  356    HB2  GLU  63           HB2      GLU  63   2.937  17.817  -1.669
  357    HB3  GLU  63           HB3      GLU  63   3.369  19.081  -2.808
  358    HG2  GLU  63           HG2      GLU  63   4.927  20.034  -1.205
  359    HG3  GLU  63           HG3      GLU  63   4.472  18.816  -0.013
  360    H    HIS  64           HN       HIS  64   0.278  18.261  -0.461
  361    HA   HIS  64           HA       HIS  64  -1.023  17.947  -2.936
  362    HD1  HIS  64           HD1      HIS  64  -4.312  16.932  -0.011
  363    HD2  HIS  64           HD2      HIS  64  -2.648  15.131  -3.425
  364    HE1  HIS  64           HE1      HIS  64  -6.177  15.589  -1.114
  365    HB2  HIS  64           HB3      HIS  64  -0.968  16.185  -1.272
  366    HB3  HIS  64           HB2      HIS  64  -1.801  17.182  -0.126
  367    HA   PRO  65           HA       PRO  65  -3.276  21.642  -3.681
  368    HB2  PRO  65           HB2      PRO  65  -5.622  19.771  -3.625
  369    HB3  PRO  65           HB3      PRO  65  -5.224  21.043  -4.782
  370    HG2  PRO  65           HG2      PRO  65  -4.673  18.411  -5.182
  371    HG3  PRO  65           HG3      PRO  65  -3.785  19.731  -5.943
  372    HD2  PRO  65           HD2      PRO  65  -2.807  17.849  -4.010
  373    HD3  PRO  65           HD3      PRO  65  -1.916  19.172  -4.787
  374    H    GLY  66           HN       GLY  66  -5.218  19.581  -1.523
  375    HA2  GLY  66           HA1      GLY  66  -6.515  21.937  -0.441
  376    HA3  GLY  66           HA2      GLY  66  -6.929  20.268  -0.085
  377    H    GLY  67           HN       GLY  67  -7.169  21.252   2.051
  378    HA2  GLY  67           HA1      GLY  67  -4.890  22.293   3.430
  379    HA3  GLY  67           HA2      GLY  67  -6.478  21.980   4.115
  380    H    GLU  68           HN       GLU  68  -4.334  21.492   5.577
  381    HA   GLU  68           HA       GLU  68  -3.216  18.876   5.269
  382    HB2  GLU  68           HB2      GLU  68  -2.134  20.916   6.285
  383    HB3  GLU  68           HB3      GLU  68  -3.212  20.731   7.659
  384    HG2  GLU  68           HG2      GLU  68  -2.194  18.567   8.151
  385    HG3  GLU  68           HG3      GLU  68  -1.092  18.765   6.783
  386    H    GLU  69           HN       GLU  69  -5.938  20.228   6.837
  387    HA   GLU  69           HA       GLU  69  -5.915  18.629   9.197
  388    HB2  GLU  69           HB2      GLU  69  -8.112  19.787   9.599
  389    HB3  GLU  69           HB3      GLU  69  -6.724  20.843   9.328
  390    HG2  GLU  69           HG2      GLU  69  -7.504  20.940   6.889
  391    HG3  GLU  69           HG3      GLU  69  -9.001  20.222   7.465
  392    H    VAL  70           HN       VAL  70  -7.972  18.581   6.291
  393    HA   VAL  70           HA       VAL  70  -9.677  16.605   7.597
  394    HB   VAL  70           HB       VAL  70 -11.117  16.813   5.563
  395   HG11  VAL  70          HG11      VAL  70 -12.021  18.999   6.147
  396   HG12  VAL  70          HG12      VAL  70 -11.611  18.079   7.595
  397   HG13  VAL  70          HG13      VAL  70 -10.553  19.379   7.041
  398   HG21  VAL  70          HG23      VAL  70  -9.437  17.517   3.977
  399   HG22  VAL  70          HG21      VAL  70 -10.719  18.725   4.064
  400   HG23  VAL  70          HG22      VAL  70  -9.180  19.010   4.876
  401    H    LEU  71           HN       LEU  71  -6.992  16.534   5.646
  402    HA   LEU  71           HA       LEU  71  -7.593  14.137   4.190
  403    HG   LEU  71           HG       LEU  71  -6.019  16.937   3.723
  404    HB2  LEU  71           HB2      LEU  71  -4.893  15.214   5.054
  405    HB3  LEU  71           HB3      LEU  71  -5.204  14.035   3.793
  406   HD11  LEU  71          HD11      LEU  71  -3.618  16.623   3.409
  407   HD12  LEU  71          HD12      LEU  71  -3.926  15.428   2.158
  408   HD13  LEU  71          HD13      LEU  71  -4.391  17.105   1.898
  409   HD21  LEU  71          HD23      LEU  71  -7.637  15.500   2.607
  410   HD22  LEU  71          HD21      LEU  71  -6.740  16.506   1.467
  411   HD23  LEU  71          HD22      LEU  71  -6.343  14.795   1.633
  412    H    ARG  72           HN       ARG  72  -6.613  15.057   7.315
  413    HA   ARG  72           HA       ARG  72  -5.023  12.954   8.188
  414    HE   ARG  72           HE       ARG  72  -3.668  15.737   9.777
  415    HB2  ARG  72           HB2      ARG  72  -5.335  15.249   9.128
  416    HB3  ARG  72           HB3      ARG  72  -6.839  14.688   9.838
  417    HG2  ARG  72           HG2      ARG  72  -5.724  13.293  11.354
  418    HG3  ARG  72           HG3      ARG  72  -4.218  13.346  10.426
  419    HD2  ARG  72           HD2      ARG  72  -5.495  15.650  11.872
  420    HD3  ARG  72           HD3      ARG  72  -4.051  14.777  12.385
  421   HH11  ARG  72          HH12      ARG  72  -3.949  16.947  13.035
  422   HH12  ARG  72          HH11      ARG  72  -2.884  18.294  12.764
  423   HH21  ARG  72          HH22      ARG  72  -2.339  17.519   9.370
  424   HH22  ARG  72          HH21      ARG  72  -2.007  18.656  10.640
  425    H    GLU  73           HN       GLU  73  -8.487  13.397   8.343
  426    HA   GLU  73           HA       GLU  73  -9.123  11.370  10.245
  427    HB2  GLU  73           HB2      GLU  73 -10.525  13.359   9.665
  428    HB3  GLU  73           HB3      GLU  73 -10.853  12.629   8.102
  429    HG2  GLU  73           HG2      GLU  73 -12.725  12.142   9.342
  430    HG3  GLU  73           HG3      GLU  73 -11.788  10.651   9.447
  431    H    GLN  74           HN       GLN  74  -8.571  11.395   6.863
  432    HA   GLN  74           HA       GLN  74 -10.089   8.972   6.319
  433    HB2  GLN  74           HB2      GLN  74  -8.450  10.727   4.481
  434    HB3  GLN  74           HB3      GLN  74  -9.555   9.458   3.977
  435    HG2  GLN  74           HG2      GLN  74 -10.309  12.015   5.383
  436    HG3  GLN  74           HG3      GLN  74 -10.531  11.674   3.674
  437   HE21  GLN  74          HE21      GLN  74 -11.349   8.912   4.143
  438   HE22  GLN  74          HE22      GLN  74 -12.961   8.975   4.787
  439    H    ALA  75           HN       ALA  75  -7.102   9.768   7.432
  440    HA   ALA  75           HA       ALA  75  -5.622   7.700   6.027
  441    HB1  ALA  75           HB3      ALA  75  -3.684   8.518   7.295
  442    HB2  ALA  75           HB1      ALA  75  -4.485   9.812   6.394
  443    HB3  ALA  75           HB2      ALA  75  -4.739   9.659   8.132
  444    H    GLY  76           HN       GLY  76  -4.678   5.948   7.056
  445    HA2  GLY  76           HA1      GLY  76  -4.320   4.560   9.025
  446    HA3  GLY  76           HA2      GLY  76  -5.789   5.260   9.714
  447    H    GLY  77           HN       GLY  77  -7.286   5.089   7.254
  448    HA2  GLY  77           HA1      GLY  77  -7.450   2.197   6.734
  449    HA3  GLY  77           HA2      GLY  77  -8.878   3.009   7.365
  450    H    ASP  78           HN       ASP  78 -10.027   2.447   5.399
  451    HA   ASP  78           HA       ASP  78  -9.046   3.268   2.889
  452    HB2  ASP  78           HB2      ASP  78 -11.779   2.445   3.800
  453    HB3  ASP  78           HB3      ASP  78 -11.533   3.116   2.191
  454    H    ALA  79           HN       ALA  79  -8.776   5.242   2.138
  455    HA   ALA  79           HA       ALA  79 -10.480   7.408   3.113
  456    HB1  ALA  79           HB3      ALA  79  -8.891   8.913   2.070
  457    HB2  ALA  79           HB1      ALA  79  -8.030   7.753   3.091
  458    HB3  ALA  79           HB2      ALA  79  -8.041   7.549   1.339
  459    H    THR  80           HN       THR  80 -10.881   5.144   1.021
  460    HA   THR  80           HA       THR  80 -11.061   6.456  -1.486
  461    HB   THR  80           HB       THR  80 -10.666   3.964  -1.008
  462    HG1  THR  80           HG1      THR  80 -12.657   4.359  -2.994
  463   HG21  THR  80          HG23      THR  80 -12.677   3.619   0.390
  464   HG22  THR  80          HG21      THR  80 -12.659   2.549  -1.014
  465   HG23  THR  80          HG22      THR  80 -13.676   3.984  -1.016
  466    H    GLU  81           HN       GLU  81 -13.096   6.574   1.177
  467    HA   GLU  81           HA       GLU  81 -15.663   6.708   0.169
  468    HB2  GLU  81           HB2      GLU  81 -14.398   8.588   2.186
  469    HB3  GLU  81           HB3      GLU  81 -16.125   8.308   1.974
  470    HG2  GLU  81           HG2      GLU  81 -15.897   6.035   2.697
  471    HG3  GLU  81           HG3      GLU  81 -14.141   6.193   2.762
  472    H    ASN  82           HN       ASN  82 -13.052   9.030   0.010
  473    HA   ASN  82           HA       ASN  82 -14.645  11.083  -1.203
  474    HB2  ASN  82           HB2      ASN  82 -12.872  11.672   0.362
  475    HB3  ASN  82           HB3      ASN  82 -11.671  10.872  -0.654
  476   HD21  ASN  82          HD21      ASN  82 -10.951  11.897  -2.527
  477   HD22  ASN  82          HD22      ASN  82 -11.334  13.540  -2.894
  478    H    PHE  83           HN       PHE  83 -12.676   8.452  -2.196
  479    HA   PHE  83           HA       PHE  83 -11.754   9.621  -4.650
  480    HD1  PHE  83           HD1      PHE  83  -9.174   9.144  -5.210
  481    HD2  PHE  83           HD2      PHE  83 -11.357   5.545  -5.726
  482    HE1  PHE  83           HE1      PHE  83  -7.916   8.678  -7.270
  483    HE2  PHE  83           HE2      PHE  83 -10.090   5.072  -7.779
  484    HZ   PHE  83           HZ       PHE  83  -8.420   6.674  -8.594
  485    HB2  PHE  83           HB2      PHE  83 -10.411   7.991  -3.321
  486    HB3  PHE  83           HB3      PHE  83 -11.592   6.751  -3.748
  487    H    GLU  84           HN       GLU  84 -14.247   7.403  -3.633
  488    HA   GLU  84           HA       GLU  84 -15.137   6.498  -6.148
  489    HB2  GLU  84           HB2      GLU  84 -15.990   6.456  -3.344
  490    HB3  GLU  84           HB3      GLU  84 -17.327   6.471  -4.478
  491    HG2  GLU  84           HG2      GLU  84 -16.576   4.222  -3.742
  492    HG3  GLU  84           HG3      GLU  84 -16.631   4.463  -5.479
  493    H    ASP  85           HN       ASP  85 -15.516   9.427  -4.438
  494    HA   ASP  85           HA       ASP  85 -17.813  10.359  -6.027
  495    HB2  ASP  85           HB2      ASP  85 -17.873  10.605  -3.546
  496    HB3  ASP  85           HB3      ASP  85 -16.429  11.597  -3.630
  497    H    VAL  86           HN       VAL  86 -14.697  11.658  -4.874
  498    HA   VAL  86           HA       VAL  86 -14.580  13.492  -7.134
  499    HB   VAL  86           HB       VAL  86 -12.631  13.151  -4.843
  500   HG11  VAL  86          HG11      VAL  86 -12.982  15.400  -6.828
  501   HG12  VAL  86          HG12      VAL  86 -11.813  15.356  -5.505
  502   HG13  VAL  86          HG13      VAL  86 -11.682  14.210  -6.837
  503   HG21  VAL  86          HG23      VAL  86 -14.799  13.790  -3.984
  504   HG22  VAL  86          HG21      VAL  86 -13.687  15.154  -3.883
  505   HG23  VAL  86          HG22      VAL  86 -14.906  15.101  -5.159
  506    H    GLY  87           HN       GLY  87 -14.257  12.079  -8.821
  507    HA2  GLY  87           HA1      GLY  87 -12.184  10.119  -8.841
  508    HA3  GLY  87           HA2      GLY  87 -13.072  10.693 -10.252
  509    H    HIS  88           HN       HIS  88 -10.164  10.689  -8.631
  510    HA   HIS  88           HA       HIS  88  -8.981  13.104  -9.265
  511    HD1  HIS  88           HD1      HIS  88  -9.221  10.753  -6.460
  512    HD2  HIS  88           HD2      HIS  88  -5.867  13.099  -7.305
  513    HE1  HIS  88           HE1      HIS  88  -8.426  11.729  -4.245
  514    HB2  HIS  88           HB2      HIS  88  -7.920  10.317  -8.870
  515    HB3  HIS  88           HB3      HIS  88  -6.836  11.613  -9.349
  516    H    SER  89           HN       SER  89  -7.990  13.937 -11.075
  517    HA   SER  89           HA       SER  89  -8.768  12.868 -13.595
  518    HG   SER  89           HG       SER  89  -6.707  16.285 -12.756
  519    HB2  SER  89           HB2      SER  89  -7.156  14.778 -14.366
  520    HB3  SER  89           HB3      SER  89  -8.681  15.198 -13.574
  521    H    THR  90           HN       THR  90  -7.013  12.749 -15.412
  522    HA   THR  90           HA       THR  90  -5.294  10.605 -14.663
  523    HB   THR  90           HB       THR  90  -5.263  12.029 -17.299
  524    HG1  THR  90           HG1      THR  90  -7.120  11.072 -17.797
  525   HG21  THR  90          HG23      THR  90  -4.658   9.195 -16.484
  526   HG22  THR  90          HG21      THR  90  -3.471  10.422 -16.927
  527   HG23  THR  90          HG22      THR  90  -4.611   9.808 -18.136
  528    H    ASP  91           HN       ASP  91  -3.749  11.235 -13.320
  529    HA   ASP  91           HA       ASP  91  -1.329  12.305 -14.152
  530    HB2  ASP  91           HB2      ASP  91  -2.683  14.440 -14.218
  531    HB3  ASP  91           HB3      ASP  91  -2.925  14.271 -12.483
  532    H    ALA  92           HN       ALA  92  -3.398  12.745 -11.345
  533    HA   ALA  92           HA       ALA  92  -1.640  11.787  -9.366
  534    HB1  ALA  92           HB3      ALA  92  -3.645  11.720  -7.960
  535    HB2  ALA  92           HB1      ALA  92  -3.504  13.231  -8.857
  536    HB3  ALA  92           HB2      ALA  92  -4.645  11.996  -9.387
  537    H    ARG  93           HN       ARG  93  -3.832  10.283 -11.531
  538    HA   ARG  93           HA       ARG  93  -4.177   7.766 -10.335
  539    HE   ARG  93           HE       ARG  93  -8.390   9.424 -12.489
  540    HB2  ARG  93           HB2      ARG  93  -4.109   8.591 -13.243
  541    HB3  ARG  93           HB3      ARG  93  -4.649   7.010 -12.682
  542    HG2  ARG  93           HG2      ARG  93  -6.464   8.060 -11.455
  543    HG3  ARG  93           HG3      ARG  93  -5.906   9.655 -11.956
  544    HD2  ARG  93           HD2      ARG  93  -6.332   9.101 -14.284
  545    HD3  ARG  93           HD3      ARG  93  -6.809   7.467 -13.825
  546   HH11  ARG  93          HH12      ARG  93  -7.942   7.927 -15.626
  547   HH12  ARG  93          HH11      ARG  93  -9.602   8.097 -16.096
  548   HH21  ARG  93          HH22      ARG  93 -10.572   9.609 -13.086
  549   HH22  ARG  93          HH21      ARG  93 -11.108   9.011 -14.623
  550    H    GLU  94           HN       GLU  94  -1.445   9.229 -11.597
  551    HA   GLU  94           HA       GLU  94  -0.123   6.684 -12.225
  552    HB2  GLU  94           HB2      GLU  94   0.483   9.459 -13.310
  553    HB3  GLU  94           HB3      GLU  94   1.361   7.992 -13.714
  554    HG2  GLU  94           HG2      GLU  94  -0.626   7.081 -14.799
  555    HG3  GLU  94           HG3      GLU  94  -1.535   8.528 -14.366
  556    H    MET  95           HN       MET  95   0.129   9.872 -10.878
  557    HA   MET  95           HA       MET  95   2.766   9.874  -9.984
  558    HB2  MET  95           HB2      MET  95   1.379  11.895 -10.269
  559    HB3  MET  95           HB3      MET  95   0.367  11.380  -8.922
  560    HG2  MET  95           HG2      MET  95   2.230  11.593  -7.390
  561    HG3  MET  95           HG3      MET  95   3.300  12.026  -8.727
  562    HE1  MET  95           HE3      MET  95   3.293  13.768  -6.209
  563    HE2  MET  95           HE1      MET  95   4.173  14.221  -7.667
  564    HE3  MET  95           HE2      MET  95   3.150  15.410  -6.855
  565    H    SER  96           HN       SER  96  -0.164   8.654  -8.556
  566    HA   SER  96           HA       SER  96   0.757   8.751  -5.864
  567    HG   SER  96           HG       SER  96  -0.631   7.415  -4.465
  568    HB2  SER  96           HB2      SER  96  -1.692   8.774  -6.669
  569    HB3  SER  96           HB3      SER  96  -1.504   7.035  -6.771
  570    H    LYS  97           HN       LYS  97   1.411   6.715  -8.375
  571    HA   LYS  97           HA       LYS  97   1.281   4.123  -7.316
  572    HB2  LYS  97           HB2      LYS  97   2.805   5.371  -9.581
  573    HB3  LYS  97           HB3      LYS  97   3.099   3.697  -9.128
  574    HG2  LYS  97           HG2      LYS  97   0.740   3.166  -9.509
  575    HG3  LYS  97           HG3      LYS  97   0.446   4.849  -9.964
  576    HD2  LYS  97           HD2      LYS  97   1.881   4.655 -11.852
  577    HD3  LYS  97           HD3      LYS  97   2.442   3.058 -11.346
  578    HE2  LYS  97           HE2      LYS  97  -0.415   3.697 -12.045
  579    HE3  LYS  97           HE3      LYS  97   0.765   3.059 -13.196
  580    HZ1  LYS  97           HZ3      LYS  97   0.978   1.073 -11.913
  581    HZ2  LYS  97           HZ1      LYS  97  -0.676   1.335 -12.144
  582    HZ3  LYS  97           HZ2      LYS  97   0.044   1.689 -10.651
  583    H    THR  98           HN       THR  98   3.561   6.654  -6.852
  584    HA   THR  98           HA       THR  98   5.647   4.869  -5.861
  585    HB   THR  98           HB       THR  98   6.894   7.041  -5.462
  586    HG1  THR  98           HG1      THR  98   5.169   8.352  -7.227
  587   HG21  THR  98          HG23      THR  98   7.294   5.679  -7.452
  588   HG22  THR  98          HG21      THR  98   7.369   7.399  -7.856
  589   HG23  THR  98          HG22      THR  98   5.937   6.457  -8.263
  590    H    PHE  99           HN       PHE  99   2.922   6.368  -4.747
  591    HA   PHE  99           HA       PHE  99   3.841   6.618  -1.992
  592    HD1  PHE  99           HD1      PHE  99   3.477   9.065  -1.026
  593    HD2  PHE  99           HD2      PHE  99   1.628   8.895  -4.838
  594    HE1  PHE  99           HE1      PHE  99   4.370  11.281  -1.553
  595    HE2  PHE  99           HE2      PHE  99   2.517  11.126  -5.391
  596    HZ   PHE  99           HZ       PHE  99   3.835  12.368  -3.694
  597    HB2  PHE  99           HB2      PHE  99   1.169   7.248  -3.273
  598    HB3  PHE  99           HB3      PHE  99   1.555   7.507  -1.575
  599    H    ILE 100           HN       ILE 100   2.307   4.505  -4.149
  600    HA   ILE 100           HA       ILE 100   0.723   2.959  -2.374
  601    HB   ILE 100           HB       ILE 100   2.006   2.027  -4.947
  602   HG12  ILE 100          HG12      ILE 100  -0.732   3.224  -4.441
  603   HG13  ILE 100          HG13      ILE 100   0.569   3.988  -5.347
  604   HG21  ILE 100          HG21      ILE 100   1.276   0.216  -3.513
  605   HG22  ILE 100          HG22      ILE 100  -0.315   0.959  -3.357
  606   HG23  ILE 100          HG23      ILE 100   0.224   0.351  -4.920
  607   HD11  ILE 100          HD13      ILE 100  -1.120   3.044  -6.834
  608   HD12  ILE 100          HD11      ILE 100   0.424   2.205  -7.027
  609   HD13  ILE 100          HD12      ILE 100  -0.877   1.460  -6.101
  610    H    ILE 101           HN       ILE 101   1.749   1.941  -0.602
  611    HA   ILE 101           HA       ILE 101   4.484   1.000  -1.084
  612    HB   ILE 101           HB       ILE 101   4.791   1.028   1.370
  613   HG12  ILE 101          HG12      ILE 101   2.080   2.352   1.357
  614   HG13  ILE 101          HG13      ILE 101   2.427   0.749   1.999
  615   HG21  ILE 101          HG21      ILE 101   4.967   3.444   1.576
  616   HG22  ILE 101          HG22      ILE 101   5.496   2.906  -0.017
  617   HG23  ILE 101          HG23      ILE 101   3.907   3.648   0.178
  618   HD11  ILE 101          HD13      ILE 101   2.303   2.388   3.782
  619   HD12  ILE 101          HD11      ILE 101   3.938   1.736   3.641
  620   HD13  ILE 101          HD12      ILE 101   3.568   3.339   3.004
  621    H    GLY 102           HN       GLY 102   1.393  -0.314  -0.652
  622    HA2  GLY 102           HA1      GLY 102   2.139  -2.859  -1.277
  623    HA3  GLY 102           HA2      GLY 102   2.308  -2.801   0.467
  624    H    GLU 103           HN       GLU 103   0.634  -4.589   0.140
  625    HA   GLU 103           HA       GLU 103  -2.051  -3.375   0.120
  626    HB2  GLU 103           HB2      GLU 103  -1.169  -6.165  -0.609
  627    HB3  GLU 103           HB3      GLU 103  -2.833  -5.824  -0.156
  628    HG2  GLU 103           HG2      GLU 103  -2.904  -4.122  -1.980
  629    HG3  GLU 103           HG3      GLU 103  -1.312  -4.679  -2.492
  630    H    LEU 104           HN       LEU 104  -3.581  -5.050   1.442
  631    HA   LEU 104           HA       LEU 104  -2.612  -4.923   4.169
  632    HG   LEU 104           HG       LEU 104  -5.092  -3.709   2.483
  633    HB2  LEU 104           HB2      LEU 104  -5.204  -6.054   3.126
  634    HB3  LEU 104           HB3      LEU 104  -4.849  -5.633   4.783
  635   HD11  LEU 104          HD11      LEU 104  -7.229  -4.573   3.273
  636   HD12  LEU 104          HD12      LEU 104  -6.798  -4.136   4.928
  637   HD13  LEU 104          HD13      LEU 104  -7.038  -2.874   3.717
  638   HD21  LEU 104          HD23      LEU 104  -4.464  -3.206   5.388
  639   HD22  LEU 104          HD21      LEU 104  -3.367  -2.966   4.022
  640   HD23  LEU 104          HD22      LEU 104  -4.802  -1.958   4.189
  641    H    HIS 105           HN       HIS 105  -2.566  -6.729   5.668
  642    HA   HIS 105           HA       HIS 105  -1.458  -9.098   4.568
  643    HD1  HIS 105           HD1      HIS 105  -2.803 -10.798   8.534
  644    HD2  HIS 105           HD2      HIS 105  -3.413  -6.768   7.759
  645    HE1  HIS 105           HE1      HIS 105  -4.479 -10.024  10.240
  646    HE2  HIS 105           HE2      HIS 105  -5.109  -7.706   9.480
  647    HB2  HIS 105           HB2      HIS 105  -1.285  -9.896   6.806
  648    HB3  HIS 105           HB3      HIS 105  -1.012  -8.175   6.858
  649    HA   PRO 106           HA       PRO 106  -3.893 -12.279   3.112
  650    HB2  PRO 106           HB2      PRO 106  -4.486 -13.121   5.934
  651    HB3  PRO 106           HB3      PRO 106  -4.161 -14.129   4.513
  652    HG2  PRO 106           HG2      PRO 106  -2.265 -13.357   6.357
  653    HG3  PRO 106           HG3      PRO 106  -1.916 -13.863   4.702
  654    HD2  PRO 106           HD2      PRO 106  -1.462 -11.310   5.828
  655    HD3  PRO 106           HD3      PRO 106  -1.326 -11.755   4.122
  656    H    ASP 107           HN       ASP 107  -5.716 -11.418   6.107
  657    HA   ASP 107           HA       ASP 107  -8.112 -12.333   4.757
  658    HB2  ASP 107           HB2      ASP 107  -7.644 -13.005   7.079
  659    HB3  ASP 107           HB3      ASP 107  -7.688 -11.317   7.560
  660    H    ASP 108           HN       ASP 108  -6.639  -9.477   5.822
  661    HA   ASP 108           HA       ASP 108  -8.888  -7.734   5.599
  662    HB2  ASP 108           HB2      ASP 108  -5.934  -7.195   5.807
  663    HB3  ASP 108           HB3      ASP 108  -7.218  -6.014   6.102
  664    H    ARG 109           HN       ARG 109  -6.454  -9.008   3.568
  665    HA   ARG 109           HA       ARG 109  -6.014  -6.801   1.901
  666    HE   ARG 109           HE       ARG 109  -3.105  -8.071  -1.960
  667    HB2  ARG 109           HB2      ARG 109  -4.429  -8.612   2.101
  668    HB3  ARG 109           HB3      ARG 109  -5.586  -9.740   1.396
  669    HG2  ARG 109           HG2      ARG 109  -5.528  -8.389  -0.695
  670    HG3  ARG 109           HG3      ARG 109  -4.258  -7.403   0.032
  671    HD2  ARG 109           HD2      ARG 109  -2.883  -9.427   0.305
  672    HD3  ARG 109           HD3      ARG 109  -4.131 -10.367  -0.515
  673   HH11  ARG 109          HH12      ARG 109  -3.011 -11.540  -1.450
  674   HH12  ARG 109          HH11      ARG 109  -2.140 -11.867  -2.921
  675   HH21  ARG 109          HH22      ARG 109  -2.007  -8.466  -3.886
  676   HH22  ARG 109          HH21      ARG 109  -1.601 -10.096  -4.341
  677    HA   PRO 110           HA       PRO 110  -9.065  -8.798  -1.266
  678    HB2  PRO 110           HB2      PRO 110 -10.874 -10.381   0.400
  679    HB3  PRO 110           HB3      PRO 110 -10.097 -10.835  -1.118
  680    HG2  PRO 110           HG2      PRO 110  -9.352 -11.902   1.242
  681    HG3  PRO 110           HG3      PRO 110  -8.165 -11.584  -0.039
  682    HD2  PRO 110           HD2      PRO 110  -8.779 -10.014   2.426
  683    HD3  PRO 110           HD3      PRO 110  -7.211 -10.372   1.681
  684    H    LYS 111           HN       LYS 111 -10.349  -8.452   2.031
  685    HA   LYS 111           HA       LYS 111 -12.025  -7.197   2.930
  686    HB2  LYS 111           HB2      LYS 111 -11.403  -5.491   0.528
  687    HB3  LYS 111           HB3      LYS 111 -12.613  -5.034   1.710
  688    HG2  LYS 111           HG2      LYS 111 -11.028  -4.754   3.403
  689    HG3  LYS 111           HG3      LYS 111  -9.793  -5.649   2.503
  690    HD2  LYS 111           HD2      LYS 111  -9.328  -3.259   2.456
  691    HD3  LYS 111           HD3      LYS 111  -9.712  -3.856   0.835
  692    HE2  LYS 111           HE2      LYS 111 -10.868  -1.817   1.070
  693    HE3  LYS 111           HE3      LYS 111 -12.077  -3.082   1.249
  694    HZ1  LYS 111           HZ3      LYS 111 -12.534  -1.631   2.974
  695    HZ2  LYS 111           HZ1      LYS 111 -10.898  -1.332   3.317
  696    HZ3  LYS 111           HZ2      LYS 111 -11.604  -2.819   3.730
  697    H    LEU 112           HN       LEU 112 -12.746  -6.759  -0.507
  698    HA   LEU 112           HA       LEU 112 -15.559  -7.368  -0.071
  699    HG   LEU 112           HG       LEU 112 -16.087  -7.759  -3.172
  700    HB2  LEU 112           HB2      LEU 112 -14.919  -5.527  -1.520
  701    HB3  LEU 112           HB3      LEU 112 -13.957  -6.590  -2.520
  702   HD11  LEU 112          HD11      LEU 112 -18.183  -6.572  -2.827
  703   HD12  LEU 112          HD12      LEU 112 -17.482  -7.046  -1.280
  704   HD13  LEU 112          HD13      LEU 112 -17.363  -5.373  -1.825
  705   HD21  LEU 112          HD23      LEU 112 -14.976  -6.115  -4.598
  706   HD22  LEU 112          HD21      LEU 112 -16.727  -6.019  -4.747
  707   HD23  LEU 112          HD22      LEU 112 -15.860  -4.812  -3.802
  708    H    ASN 113           HN       ASN 113 -16.641  -9.115  -0.912
  709    HA   ASN 113           HA       ASN 113 -17.044 -11.153  -1.843
  710    HB2  ASN 113           HB2      ASN 113 -16.447  -9.668  -3.802
  711    HB3  ASN 113           HB3      ASN 113 -14.860 -10.419  -3.779
  712   HD21  ASN 113          HD21      ASN 113 -14.620 -12.522  -4.460
  713   HD22  ASN 113          HD22      ASN 113 -15.872 -13.373  -5.297
  714    H    LYS 114           HN       LYS 114 -15.838 -11.755   0.265
  715    HA   LYS 114           HA       LYS 114 -13.475 -13.388  -0.368
  716    HB2  LYS 114           HB2      LYS 114 -12.968 -11.566   1.185
  717    HB3  LYS 114           HB3      LYS 114 -14.255 -12.086   2.257
  718    HG2  LYS 114           HG2      LYS 114 -13.050 -14.178   2.677
  719    HG3  LYS 114           HG3      LYS 114 -11.761 -13.645   1.600
  720    HD2  LYS 114           HD2      LYS 114 -11.153 -13.248   3.908
  721    HD3  LYS 114           HD3      LYS 114 -11.345 -11.727   3.045
  722    HE2  LYS 114           HE2      LYS 114 -13.595 -11.480   4.006
  723    HE3  LYS 114           HE3      LYS 114 -13.374 -12.989   4.877
  724    HZ1  LYS 114           HZ3      LYS 114 -11.581 -12.021   6.123
  725    HZ2  LYS 114           HZ1      LYS 114 -12.947 -11.025   6.255
  726    HZ3  LYS 114           HZ2      LYS 114 -11.676 -10.584   5.231
  727    HA   PRO 115           HA       PRO 115 -16.668 -16.430   0.771
  728    HB2  PRO 115           HB2      PRO 115 -15.578 -18.184  -1.203
  729    HB3  PRO 115           HB3      PRO 115 -17.088 -17.276  -1.270
  730    HG2  PRO 115           HG2      PRO 115 -14.870 -16.838  -2.874
  731    HG3  PRO 115           HG3      PRO 115 -16.161 -15.666  -2.591
  732    HD2  PRO 115           HD2      PRO 115 -13.448 -15.832  -1.356
  733    HD3  PRO 115           HD3      PRO 115 -14.405 -14.402  -1.807
  734    HA   PRO 116           HA       PRO 116 -13.692 -18.626   3.327
  735    HB2  PRO 116           HB2      PRO 116 -15.945 -20.094   4.425
  736    HB3  PRO 116           HB3      PRO 116 -14.955 -18.862   5.202
  737    HG2  PRO 116           HG2      PRO 116 -17.566 -18.516   4.538
  738    HG3  PRO 116           HG3      PRO 116 -16.396 -17.193   4.696
  739    HD2  PRO 116           HD2      PRO 116 -17.474 -18.510   2.231
  740    HD3  PRO 116           HD3      PRO 116 -17.066 -16.799   2.520
  741    H    GLU 117           HN       GLU 117 -16.487 -20.352   1.983
  742    HA   GLU 117           HA       GLU 117 -14.968 -22.448   0.821
  743    HB2  GLU 117           HB2      GLU 117 -14.875 -22.888   3.338
  744    HB3  GLU 117           HB3      GLU 117 -16.609 -23.169   3.264
  745    HG2  GLU 117           HG2      GLU 117 -16.159 -24.996   1.624
  746    HG3  GLU 117           HG3      GLU 117 -14.436 -24.763   1.922
  747    H    THR 118           HN       THR 118 -16.871 -24.375   0.445
  748    HA   THR 118           HA       THR 118 -18.938 -23.076  -1.007
  749    HB   THR 118           HB       THR 118 -18.856 -25.981  -0.122
  750    HG1  THR 118           HG1      THR 118 -17.604 -26.369  -1.803
  751   HG21  THR 118          HG23      THR 118 -21.072 -25.173  -0.885
  752   HG22  THR 118          HG21      THR 118 -20.380 -26.388  -1.967
  753   HG23  THR 118          HG22      THR 118 -20.336 -24.683  -2.412
  754    H    LEU 119           HN       LEU 119 -19.126 -25.152   1.873
  755    HA   LEU 119           HA       LEU 119 -20.786 -23.569   3.458
  756    HG   LEU 119           HG       LEU 119 -23.198 -23.162   3.566
  757    HB2  LEU 119           HB2      LEU 119 -22.329 -24.082   1.410
  758    HB3  LEU 119           HB3      LEU 119 -22.449 -25.684   2.103
  759   HD11  LEU 119          HD11      LEU 119 -25.516 -23.872   3.115
  760   HD12  LEU 119          HD12      LEU 119 -24.640 -23.411   1.661
  761   HD13  LEU 119          HD13      LEU 119 -24.901 -25.113   2.029
  762   HD21  LEU 119          HD23      LEU 119 -24.375 -24.691   5.081
  763   HD22  LEU 119          HD21      LEU 119 -23.774 -26.069   4.153
  764   HD23  LEU 119          HD22      LEU 119 -22.642 -25.038   5.038
  765    H    ILE 120           HN       ILE 120 -20.582 -26.919   2.308
  766    HA   ILE 120           HA       ILE 120 -20.167 -27.806   5.083
  767    HB   ILE 120           HB       ILE 120 -21.265 -29.379   2.751
  768   HG12  ILE 120          HG12      ILE 120 -22.633 -28.440   5.282
  769   HG13  ILE 120          HG13      ILE 120 -22.823 -27.666   3.713
  770   HG21  ILE 120          HG21      ILE 120 -21.728 -31.105   4.459
  771   HG22  ILE 120          HG22      ILE 120 -20.020 -30.833   4.137
  772   HG23  ILE 120          HG23      ILE 120 -20.753 -30.177   5.600
  773   HD11  ILE 120          HD13      ILE 120 -24.666 -29.204   4.373
  774   HD12  ILE 120          HD11      ILE 120 -23.924 -29.601   2.821
  775   HD13  ILE 120          HD12      ILE 120 -23.517 -30.534   4.272
  776    H    THR 121           HN       THR 121 -18.066 -28.035   5.397
  777    HA   THR 121           HA       THR 121 -16.060 -28.623   3.571
  778    HB   THR 121           HB       THR 121 -16.024 -29.533   6.437
  779    HG1  THR 121           HG1      THR 121 -16.017 -26.900   5.369
  780   HG21  THR 121          HG23      THR 121 -14.039 -30.028   5.073
  781   HG22  THR 121          HG21      THR 121 -13.680 -28.843   6.325
  782   HG23  THR 121          HG22      THR 121 -13.906 -28.322   4.661
  783    H    THR 122           HN       THR 122 -14.962 -30.541   3.067
  784    HA   THR 122           HA       THR 122 -16.425 -32.742   2.367
  785    HB   THR 122           HB       THR 122 -14.178 -33.967   2.343
  786    HG1  THR 122           HG1      THR 122 -13.064 -32.839   3.898
  787   HG21  THR 122          HG23      THR 122 -13.333 -32.668   0.444
  788   HG22  THR 122          HG21      THR 122 -14.344 -31.299   0.915
  789   HG23  THR 122          HG22      THR 122 -15.090 -32.799   0.364
  790    H    ILE 123           HN       ILE 123 -17.630 -33.934   3.639
  791    HA   ILE 123           HA       ILE 123 -17.170 -34.240   6.418
  792    HB   ILE 123           HB       ILE 123 -19.416 -34.322   5.482
  793   HG12  ILE 123          HG12      ILE 123 -18.686 -36.986   6.736
  794   HG13  ILE 123          HG13      ILE 123 -18.962 -35.485   7.613
  795   HG21  ILE 123          HG21      ILE 123 -19.028 -35.348   3.359
  796   HG22  ILE 123          HG22      ILE 123 -18.518 -36.860   4.115
  797   HG23  ILE 123          HG23      ILE 123 -20.195 -36.330   4.238
  798   HD11  ILE 123          HD13      ILE 123 -20.886 -37.045   7.614
  799   HD12  ILE 123          HD11      ILE 123 -21.265 -35.452   6.967
  800   HD13  ILE 123          HD12      ILE 123 -21.020 -36.817   5.875
  801    H    ASP 124           HN       ASP 124 -16.288 -36.112   3.613
  802    HA   ASP 124           HA       ASP 124 -15.184 -38.205   5.342
  803    HB2  ASP 124           HB2      ASP 124 -14.939 -39.560   3.328
  804    HB3  ASP 124           HB3      ASP 124 -16.595 -38.970   3.456
  805    H    SER 125           HN       SER 125 -12.992 -38.990   4.856
  806    HA   SER 125           HA       SER 125 -11.254 -36.730   4.257
  807    HG   SER 125           HG       SER 125 -10.706 -37.264   6.886
  808    HB2  SER 125           HB2      SER 125 -10.467 -39.514   5.195
  809    HB3  SER 125           HB3      SER 125  -9.502 -38.036   5.255
  810    H    SER 126           HN       SER 126 -12.743 -39.066   2.519
  811    HA   SER 126           HA       SER 126 -12.410 -40.211   0.589
  812    HG   SER 126           HG       SER 126 -12.905 -37.854   0.363
  813    HB2  SER 126           HB2      SER 126 -10.277 -38.103   0.157
  814    HB3  SER 126           HB3      SER 126 -10.974 -39.132  -1.092
  815    H    SER 127           HN       SER 127  -9.813 -40.558  -0.802
  816    HA   SER 127           HA       SER 127  -8.599 -42.445   1.076
  817    HG   SER 127           HG       SER 127  -9.911 -43.654  -0.399
  818    HB2  SER 127           HB2      SER 127  -8.114 -42.083  -1.900
  819    HB3  SER 127           HB3      SER 127  -7.475 -43.393  -0.904
  820    H    SER 128           HN       SER 128  -7.585 -39.989  -1.277
  821    HA   SER 128           HA       SER 128  -5.917 -38.679   0.593
  822    HG   SER 128           HG       SER 128  -4.055 -39.800  -2.542
  823    HB2  SER 128           HB2      SER 128  -3.766 -39.015  -0.620
  824    HB3  SER 128           HB3      SER 128  -4.374 -40.499   0.108
  825    HHA  HEM 129           HHA      HEM 129  -6.119  17.350  -6.731
  826    HHB  HEM 129           HHB      HEM 129  -2.048  12.377  -6.161
  827    HHC  HEM 129           HHC      HEM 129  -5.372  10.257  -1.151
  828    HHD  HEM 129           HHD      HEM 129  -9.490  15.208  -1.652
  829    HAB  HEM 129           HAB      HEM 129  -2.415   9.535  -0.942
  830    HAC  HEM 129           HAC      HEM 129 -10.270  13.789   0.097
  831   HMA1  HEM 129          HMA1      HEM 129  -1.455  15.574  -8.427
  832   HMA2  HEM 129          HMA2      HEM 129  -0.771  14.947  -6.926
  833   HMA3  HEM 129          HMA3      HEM 129  -1.433  13.835  -8.138
  834   HAA1  HEM 129          HAA1      HEM 129  -3.200  17.617  -8.339
  835   HAA2  HEM 129          HAA2      HEM 129  -3.275  16.250  -8.947
  836   HBA1  HEM 129          HBA1      HEM 129  -5.293  17.719  -9.783
  837   HBA2  HEM 129          HBA2      HEM 129  -5.822  16.126  -9.203
  838   HMB1  HEM 129          HMB1      HEM 129  -0.191  11.071  -3.572
  839   HMB2  HEM 129          HMB2      HEM 129  -0.904  10.086  -5.010
  840   HMB3  HEM 129          HMB3      HEM 129  -1.050   9.858  -3.511
  841   HBB1  HEM 129          HBB1      HEM 129  -3.804   8.023  -3.172
  842   HBB2  HEM 129          HBB2      HEM 129  -2.977   7.329  -1.649
  843   HMC1  HEM 129          HMC1      HEM 129  -8.717  10.121   0.141
  844   HMC2  HEM 129          HMC2      HEM 129  -7.010   9.740  -0.101
  845   HMC3  HEM 129          HMC3      HEM 129  -7.551  10.749   1.287
  846   HBC1  HEM 129          HBC1      HEM 129 -10.231  13.129   2.357
  847   HBC2  HEM 129          HBC2      HEM 129  -8.574  12.326   2.163
  848   HMD1  HEM 129          HMD1      HEM 129 -10.453  17.018  -2.217
  849   HMD2  HEM 129          HMD2      HEM 129 -10.596  18.217  -3.651
  850   HMD3  HEM 129          HMD3      HEM 129  -9.465  18.081  -2.659
  851   HAD1  HEM 129          HAD1      HEM 129  -8.638  18.040  -6.951
  852   HAD2  HEM 129          HAD2      HEM 129  -9.608  18.027  -5.796
  853   HBD1  HEM 129          HBD1      HEM 129  -8.556  20.411  -6.268
  854   HBD2  HEM 129          HBD2      HEM 129  -8.420  19.972  -4.556
  Start of MODEL    7
    1    HA   MET  21           HA       MET  21  16.131 -13.918   0.164
    2    H1   MET  21           1H       MET  21  14.118 -13.438  -1.862
    3    HB2  MET  21           HB2      MET  21  15.332 -11.702   0.818
    4    HB3  MET  21           HB3      MET  21  13.676 -12.288   0.832
    5    HG2  MET  21           HG2      MET  21  14.304 -13.876   2.626
    6    HG3  MET  21           HG3      MET  21  15.911 -13.155   2.653
    7    HE1  MET  21           HE3      MET  21  12.406 -11.446   2.179
    8    HE2  MET  21           HE1      MET  21  12.087 -12.625   3.450
    9    HE3  MET  21           HE2      MET  21  12.052 -10.900   3.817
   10    H    ALA  22           HN       ALA  22  12.544 -13.921  -0.005
   11    HA   ALA  22           HA       ALA  22  12.558 -16.794   0.512
   12    HB1  ALA  22           HB3      ALA  22  11.163 -16.625   2.499
   13    HB2  ALA  22           HB1      ALA  22  12.705 -15.794   2.745
   14    HB3  ALA  22           HB2      ALA  22  11.246 -14.863   2.418
   15    H    GLU  23           HN       GLU  23  11.752 -15.381  -1.735
   16    HA   GLU  23           HA       GLU  23   8.861 -15.865  -1.639
   17    HB2  GLU  23           HB2      GLU  23   8.599 -14.132  -3.417
   18    HB3  GLU  23           HB3      GLU  23   9.128 -13.499  -1.868
   19    HG2  GLU  23           HG2      GLU  23  10.876 -13.983  -4.273
   20    HG3  GLU  23           HG3      GLU  23  10.265 -12.422  -3.738
   21    H    GLN  24           HN       GLN  24   9.658 -15.084  -4.765
   22    HA   GLN  24           HA       GLN  24  10.827 -17.485  -5.685
   23    HB2  GLN  24           HB2      GLN  24   8.797 -18.398  -6.861
   24    HB3  GLN  24           HB3      GLN  24   8.797 -18.600  -5.119
   25    HG2  GLN  24           HG2      GLN  24   7.252 -16.745  -4.886
   26    HG3  GLN  24           HG3      GLN  24   7.284 -16.482  -6.630
   27   HE21  GLN  24          HE21      GLN  24   7.351 -19.641  -5.166
   28   HE22  GLN  24          HE22      GLN  24   5.786 -20.144  -5.692
   29    H    SER  25           HN       SER  25   8.453 -14.996  -6.555
   30    HA   SER  25           HA       SER  25   9.534 -14.916  -9.264
   31    HG   SER  25           HG       SER  25   7.503 -16.173  -9.187
   32    HB2  SER  25           HB2      SER  25   7.046 -13.576  -8.187
   33    HB3  SER  25           HB3      SER  25   7.486 -13.800  -9.880
   34    H    ASP  26           HN       ASP  26   8.883 -12.487 -10.111
   35    HA   ASP  26           HA       ASP  26  11.169 -11.010  -9.653
   36    HB2  ASP  26           HB2      ASP  26   9.684 -10.860 -11.644
   37    HB3  ASP  26           HB3      ASP  26   8.520  -9.967 -10.674
   38    H    GLU  27           HN       GLU  27   7.950  -9.708  -8.874
   39    HA   GLU  27           HA       GLU  27   9.143  -8.519  -6.470
   40    HB2  GLU  27           HB2      GLU  27   8.669  -6.850  -8.259
   41    HB3  GLU  27           HB3      GLU  27   6.972  -7.303  -8.183
   42    HG2  GLU  27           HG2      GLU  27   6.801  -6.471  -5.930
   43    HG3  GLU  27           HG3      GLU  27   8.534  -6.139  -5.881
   44    H    ALA  28           HN       ALA  28   7.817  -8.379  -4.623
   45    HA   ALA  28           HA       ALA  28   5.661 -10.372  -4.638
   46    HB1  ALA  28           HB3      ALA  28   6.116 -10.615  -2.239
   47    HB2  ALA  28           HB1      ALA  28   7.551 -10.926  -3.213
   48    HB3  ALA  28           HB2      ALA  28   7.377  -9.393  -2.364
   49    H    VAL  29           HN       VAL  29   3.744  -9.990  -3.484
   50    HA   VAL  29           HA       VAL  29   2.981  -7.193  -3.221
   51    HB   VAL  29           HB       VAL  29   1.173  -9.464  -2.418
   52   HG11  VAL  29          HG11      VAL  29   0.629  -6.829  -3.772
   53   HG12  VAL  29          HG12      VAL  29  -0.571  -7.986  -3.194
   54   HG13  VAL  29          HG13      VAL  29   0.473  -7.152  -2.045
   55   HG21  VAL  29          HG23      VAL  29   1.648  -8.600  -5.276
   56   HG22  VAL  29          HG21      VAL  29   2.093 -10.160  -4.580
   57   HG23  VAL  29          HG22      VAL  29   0.393  -9.707  -4.722
   58    H    LYS  30           HN       LYS  30   4.327  -6.634  -1.464
   59    HA   LYS  30           HA       LYS  30   4.431  -8.130   0.935
   60    HB2  LYS  30           HB2      LYS  30   6.043  -6.282  -0.056
   61    HB3  LYS  30           HB3      LYS  30   5.058  -5.211   0.930
   62    HG2  LYS  30           HG2      LYS  30   6.032  -7.615   2.301
   63    HG3  LYS  30           HG3      LYS  30   7.284  -6.486   1.785
   64    HD2  LYS  30           HD2      LYS  30   5.908  -4.669   2.903
   65    HD3  LYS  30           HD3      LYS  30   4.964  -5.977   3.621
   66    HE2  LYS  30           HE2      LYS  30   6.893  -6.851   4.733
   67    HE3  LYS  30           HE3      LYS  30   7.959  -5.740   3.872
   68    HZ1  LYS  30           HZ3      LYS  30   5.935  -5.037   5.920
   69    HZ2  LYS  30           HZ1      LYS  30   6.788  -3.894   5.005
   70    HZ3  LYS  30           HZ2      LYS  30   7.616  -4.919   6.070
   71    H    TYR  31           HN       TYR  31   3.111  -8.186   2.631
   72    HA   TYR  31           HA       TYR  31   0.758  -6.436   2.526
   73    HD1  TYR  31           HD2      TYR  31  -0.624  -7.346   1.224
   74    HD2  TYR  31           HD1      TYR  31   0.701 -11.032   2.886
   75    HE1  TYR  31           HE2      TYR  31  -1.441  -8.527  -0.763
   76    HE2  TYR  31           HE1      TYR  31  -0.119 -12.225   0.895
   77    HH   TYR  31           HH       TYR  31  -1.064 -10.567  -1.949
   78    HB2  TYR  31           HB2      TYR  31   1.192  -9.046   3.993
   79    HB3  TYR  31           HB3      TYR  31  -0.292  -8.107   4.014
   80    H    TYR  32           HN       TYR  32  -0.129  -5.624   4.464
   81    HA   TYR  32           HA       TYR  32   1.597  -5.659   6.834
   82    HD1  TYR  32           HD2      TYR  32   1.937  -3.303   3.859
   83    HD2  TYR  32           HD1      TYR  32   2.878  -3.045   7.998
   84    HE1  TYR  32           HE2      TYR  32   4.215  -2.566   3.290
   85    HE2  TYR  32           HE1      TYR  32   5.154  -2.316   7.445
   86    HH   TYR  32           HH       TYR  32   6.128  -1.594   4.170
   87    HB2  TYR  32           HB2      TYR  32   0.183  -3.291   5.596
   88    HB3  TYR  32           HB3      TYR  32   0.622  -3.307   7.299
   89    H    THR  33           HN       THR  33  -0.262  -4.431   8.589
   90    HA   THR  33           HA       THR  33  -2.660  -6.099   8.208
   91    HB   THR  33           HB       THR  33  -2.949  -5.899  10.704
   92    HG1  THR  33           HG1      THR  33  -0.680  -5.549  11.674
   93   HG21  THR  33          HG23      THR  33  -2.153  -7.963   9.701
   94   HG22  THR  33          HG21      THR  33  -1.311  -7.667  11.222
   95   HG23  THR  33          HG22      THR  33  -0.500  -7.344   9.689
   96    H    LEU  34           HN       LEU  34  -4.649  -5.112   9.383
   97    HA   LEU  34           HA       LEU  34  -5.166  -2.493   8.560
   98    HG   LEU  34           HG       LEU  34  -7.026  -1.554  10.872
   99    HB2  LEU  34           HB2      LEU  34  -6.904  -4.127   9.281
  100    HB3  LEU  34           HB3      LEU  34  -6.369  -3.925  10.938
  101   HD11  LEU  34          HD11      LEU  34  -8.251  -0.638   9.022
  102   HD12  LEU  34          HD12      LEU  34  -6.708  -1.249   8.427
  103   HD13  LEU  34          HD13      LEU  34  -8.186  -2.173   8.156
  104   HD21  LEU  34          HD23      LEU  34  -9.419  -1.910  10.918
  105   HD22  LEU  34          HD21      LEU  34  -9.240  -3.416  10.022
  106   HD23  LEU  34          HD22      LEU  34  -8.592  -3.281  11.658
  107    H    GLU  35           HN       GLU  35  -4.158  -3.827  11.585
  108    HA   GLU  35           HA       GLU  35  -3.987  -1.762  13.343
  109    HB2  GLU  35           HB2      GLU  35  -3.533  -4.162  13.800
  110    HB3  GLU  35           HB3      GLU  35  -1.981  -4.001  12.993
  111    HG2  GLU  35           HG2      GLU  35  -1.472  -2.191  14.714
  112    HG3  GLU  35           HG3      GLU  35  -2.864  -2.819  15.594
  113    H    GLU  36           HN       GLU  36  -1.513  -2.823  11.079
  114    HA   GLU  36           HA       GLU  36   0.533  -1.098  11.862
  115    HB2  GLU  36           HB2      GLU  36  -0.037  -2.761   9.468
  116    HB3  GLU  36           HB3      GLU  36   1.235  -1.553   9.343
  117    HG2  GLU  36           HG2      GLU  36   1.086  -3.719  11.425
  118    HG3  GLU  36           HG3      GLU  36   2.093  -3.752   9.978
  119    H    ILE  37           HN       ILE  37  -2.153  -0.632   9.736
  120    HA   ILE  37           HA       ILE  37  -1.035   1.833   8.653
  121    HB   ILE  37           HB       ILE  37  -3.706   0.547   8.063
  122   HG12  ILE  37          HG12      ILE  37  -1.122   0.368   6.493
  123   HG13  ILE  37          HG13      ILE  37  -1.752  -0.917   7.520
  124   HG21  ILE  37          HG21      ILE  37  -3.672   1.965   6.079
  125   HG22  ILE  37          HG22      ILE  37  -3.557   2.937   7.546
  126   HG23  ILE  37          HG23      ILE  37  -2.118   2.634   6.573
  127   HD11  ILE  37          HD13      ILE  37  -3.715  -1.098   6.108
  128   HD12  ILE  37          HD11      ILE  37  -3.119   0.216   5.095
  129   HD13  ILE  37          HD12      ILE  37  -2.237  -1.310   5.170
  130    H    GLN  38           HN       GLN  38  -3.538   0.676  10.773
  131    HA   GLN  38           HA       GLN  38  -5.012   3.008  11.216
  132    HB2  GLN  38           HB2      GLN  38  -5.468   0.592  11.935
  133    HB3  GLN  38           HB3      GLN  38  -4.405   0.908  13.291
  134    HG2  GLN  38           HG2      GLN  38  -6.681   1.164  13.975
  135    HG3  GLN  38           HG3      GLN  38  -5.898   2.743  13.990
  136   HE21  GLN  38          HE21      GLN  38  -6.445   4.252  12.380
  137   HE22  GLN  38          HE22      GLN  38  -7.903   4.110  11.452
  138    H    LYS  39           HN       LYS  39  -2.121   1.739  12.776
  139    HA   LYS  39           HA       LYS  39  -1.962   3.726  14.825
  140    HB2  LYS  39           HB2      LYS  39   0.157   2.673  15.387
  141    HB3  LYS  39           HB3      LYS  39  -1.053   1.437  15.068
  142    HG2  LYS  39           HG2      LYS  39  -0.125   1.113  12.832
  143    HG3  LYS  39           HG3      LYS  39   1.092   2.347  13.163
  144    HD2  LYS  39           HD2      LYS  39   2.086   0.185  13.508
  145    HD3  LYS  39           HD3      LYS  39   1.877   0.966  15.078
  146    HE2  LYS  39           HE2      LYS  39   0.057  -0.405  15.639
  147    HE3  LYS  39           HE3      LYS  39  -0.166  -0.945  13.974
  148    HZ1  LYS  39           HZ3      LYS  39   0.855  -2.676  15.284
  149    HZ2  LYS  39           HZ1      LYS  39   2.110  -1.631  15.757
  150    HZ3  LYS  39           HZ2      LYS  39   1.974  -2.104  14.134
  151    H    HIS  40           HN       HIS  40  -1.383   3.945  11.580
  152    HA   HIS  40           HA       HIS  40   0.761   5.939  11.921
  153    HD1  HIS  40           HD1      HIS  40   1.966   2.075   9.761
  154    HD2  HIS  40           HD2      HIS  40   2.912   5.102  12.435
  155    HE1  HIS  40           HE1      HIS  40   3.926   1.217  11.074
  156    HE2  HIS  40           HE2      HIS  40   4.348   2.988  12.820
  157    HB2  HIS  40           HB2      HIS  40   0.331   3.945   9.689
  158    HB3  HIS  40           HB3      HIS  40   1.392   5.342   9.523
  159    H    ASN  41           HN       ASN  41  -1.804   6.648  12.262
  160    HA   ASN  41           HA       ASN  41  -2.758   7.909   9.771
  161    HB2  ASN  41           HB2      ASN  41  -4.901   7.967  10.806
  162    HB3  ASN  41           HB3      ASN  41  -4.236   6.400  11.244
  163   HD21  ASN  41          HD21      ASN  41  -5.414   9.388  12.376
  164   HD22  ASN  41          HD22      ASN  41  -5.198   9.088  14.065
  165    H    HIS  42           HN       HIS  42  -0.667   8.636  12.002
  166    HA   HIS  42           HA       HIS  42  -1.846  11.112  13.037
  167    HD1  HIS  42           HD1      HIS  42   1.852   9.950  12.526
  168    HD2  HIS  42           HD2      HIS  42   0.507   7.662  15.715
  169    HE1  HIS  42           HE1      HIS  42   3.605   8.185  12.863
  170    HE2  HIS  42           HE2      HIS  42   2.882   6.963  14.948
  171    HB2  HIS  42           HB2      HIS  42  -0.071  10.955  14.786
  172    HB3  HIS  42           HB3      HIS  42  -1.178   9.589  14.769
  173    H    SER  43           HN       SER  43   0.186  12.581  13.812
  174    HA   SER  43           HA       SER  43   0.926  14.104  11.671
  175    HG   SER  43           HG       SER  43   2.158  14.062  15.491
  176    HB2  SER  43           HB2      SER  43   2.820  14.856  13.281
  177    HB3  SER  43           HB3      SER  43   1.144  15.054  13.804
  178    H    LYS  44           HN       LYS  44   3.027  11.773  13.340
  179    HA   LYS  44           HA       LYS  44   5.276  12.336  11.733
  180    HB2  LYS  44           HB2      LYS  44   4.670  10.140  13.693
  181    HB3  LYS  44           HB3      LYS  44   6.221  10.279  12.880
  182    HG2  LYS  44           HG2      LYS  44   6.438  12.570  13.797
  183    HG3  LYS  44           HG3      LYS  44   4.945  12.310  14.693
  184    HD2  LYS  44           HD2      LYS  44   5.948  10.526  15.956
  185    HD3  LYS  44           HD3      LYS  44   7.414  10.599  14.968
  186    HE2  LYS  44           HE2      LYS  44   7.748  12.937  15.746
  187    HE3  LYS  44           HE3      LYS  44   6.367  12.743  16.818
  188    HZ1  LYS  44           HZ3      LYS  44   8.697  10.925  16.950
  189    HZ2  LYS  44           HZ1      LYS  44   7.509  11.205  18.129
  190    HZ3  LYS  44           HZ2      LYS  44   8.669  12.396  17.789
  191    H    SER  45           HN       SER  45   2.597  10.480  10.969
  192    HA   SER  45           HA       SER  45   3.806   9.508   8.580
  193    HG   SER  45           HG       SER  45   5.325   8.369  10.089
  194    HB2  SER  45           HB2      SER  45   2.754   7.371  10.455
  195    HB3  SER  45           HB3      SER  45   3.493   7.134   8.875
  196    H    THR  46           HN       THR  46   2.234   9.820   7.081
  197    HA   THR  46           HA       THR  46  -0.540   9.484   8.011
  198    HB   THR  46           HB       THR  46   0.316  11.119   5.614
  199    HG1  THR  46           HG1      THR  46   0.246  11.723   8.350
  200   HG21  THR  46          HG23      THR  46  -2.033  10.366   5.660
  201   HG22  THR  46          HG21      THR  46  -1.907  12.113   5.861
  202   HG23  THR  46          HG22      THR  46  -2.226  11.083   7.257
  203    H    TRP  47           HN       TRP  47  -0.729   7.300   7.591
  204    HA   TRP  47           HA       TRP  47  -0.309   6.421   4.836
  205    HD1  TRP  47           HD1      TRP  47   1.803   6.582   5.909
  206    HE1  TRP  47           HE1      TRP  47   4.040   5.363   6.216
  207    HE3  TRP  47           HE3      TRP  47   0.022   1.963   7.194
  208    HZ2  TRP  47           HZ2      TRP  47   4.934   2.773   6.927
  209    HZ3  TRP  47           HZ3      TRP  47   1.636   0.171   7.671
  210    HH2  TRP  47           HH2      TRP  47   4.042   0.568   7.540
  211    HB2  TRP  47           HB2      TRP  47  -0.925   4.897   7.364
  212    HB3  TRP  47           HB3      TRP  47  -0.979   4.153   5.772
  213    H    LEU  48           HN       LEU  48  -1.969   5.152   3.779
  214    HA   LEU  48           HA       LEU  48  -4.644   5.252   4.808
  215    HG   LEU  48           HG       LEU  48  -3.549   6.000   1.348
  216    HB2  LEU  48           HB2      LEU  48  -5.649   6.370   2.885
  217    HB3  LEU  48           HB3      LEU  48  -4.577   7.445   3.761
  218   HD11  LEU  48          HD11      LEU  48  -5.628   6.924   0.578
  219   HD12  LEU  48          HD12      LEU  48  -5.272   8.470   1.343
  220   HD13  LEU  48          HD13      LEU  48  -4.302   7.921  -0.022
  221   HD21  LEU  48          HD23      LEU  48  -2.015   7.307   2.770
  222   HD22  LEU  48          HD21      LEU  48  -2.158   7.977   1.146
  223   HD23  LEU  48          HD22      LEU  48  -3.003   8.741   2.492
  224    H    ILE  49           HN       ILE  49  -6.163   4.335   2.953
  225    HA   ILE  49           HA       ILE  49  -4.688   2.332   1.383
  226    HB   ILE  49           HB       ILE  49  -7.264   1.824   2.893
  227   HG12  ILE  49          HG12      ILE  49  -4.532   0.607   3.339
  228   HG13  ILE  49          HG13      ILE  49  -5.194   1.921   4.308
  229   HG21  ILE  49          HG21      ILE  49  -7.195   0.626   0.784
  230   HG22  ILE  49          HG22      ILE  49  -5.587   0.004   1.168
  231   HG23  ILE  49          HG23      ILE  49  -6.982  -0.501   2.126
  232   HD11  ILE  49          HD13      ILE  49  -6.432  -0.800   4.013
  233   HD12  ILE  49          HD11      ILE  49  -5.436  -0.274   5.371
  234   HD13  ILE  49          HD12      ILE  49  -6.989   0.505   5.058
  235    H    LEU  50           HN       LEU  50  -5.451   2.043  -0.686
  236    HA   LEU  50           HA       LEU  50  -8.072   3.209  -1.339
  237    HG   LEU  50           HG       LEU  50  -5.623   5.121  -1.576
  238    HB2  LEU  50           HB2      LEU  50  -5.607   3.178  -3.086
  239    HB3  LEU  50           HB3      LEU  50  -7.216   3.602  -3.649
  240   HD11  LEU  50          HD11      LEU  50  -6.363   5.823  -4.416
  241   HD12  LEU  50          HD12      LEU  50  -5.485   6.850  -3.280
  242   HD13  LEU  50          HD13      LEU  50  -4.757   5.353  -3.859
  243   HD21  LEU  50          HD23      LEU  50  -7.996   5.266  -1.111
  244   HD22  LEU  50          HD21      LEU  50  -7.430   6.789  -1.793
  245   HD23  LEU  50          HD22      LEU  50  -8.332   5.657  -2.801
  246    H    HIS  51           HN       HIS  51  -8.994   1.215  -0.917
  247    HA   HIS  51           HA       HIS  51 -10.141  -0.534  -1.778
  248    HD1  HIS  51           HD1      HIS  51 -11.359  -0.936  -5.485
  249    HD2  HIS  51           HD2      HIS  51  -9.926   2.361  -3.398
  250    HE1  HIS  51           HE1      HIS  51 -12.971   0.932  -5.970
  251    HE2  HIS  51           HE2      HIS  51 -12.236   2.814  -4.461
  252    HB2  HIS  51           HB2      HIS  51  -8.272  -0.222  -4.120
  253    HB3  HIS  51           HB3      HIS  51  -9.450  -1.531  -4.020
  254    H    HIS  52           HN       HIS  52  -6.607  -1.005  -2.284
  255    HA   HIS  52           HA       HIS  52  -6.823  -3.312  -0.462
  256    HD1  HIS  52           HD1      HIS  52  -5.638  -3.708  -5.090
  257    HD2  HIS  52           HD2      HIS  52  -8.710  -4.814  -2.507
  258    HE1  HIS  52           HE1      HIS  52  -7.552  -4.383  -6.569
  259    HE2  HIS  52           HE2      HIS  52  -9.453  -4.887  -4.993
  260    HB2  HIS  52           HB2      HIS  52  -4.935  -3.589  -2.754
  261    HB3  HIS  52           HB3      HIS  52  -5.689  -4.831  -1.789
  262    H    LYS  53           HN       LYS  53  -4.997  -0.721  -1.857
  263    HA   LYS  53           HA       LYS  53  -2.477  -1.777  -0.832
  264    HB2  LYS  53           HB2      LYS  53  -2.838   0.573  -2.685
  265    HB3  LYS  53           HB3      LYS  53  -1.398  -0.417  -2.456
  266    HG2  LYS  53           HG2      LYS  53  -2.468  -2.295  -3.499
  267    HG3  LYS  53           HG3      LYS  53  -3.993  -1.418  -3.621
  268    HD2  LYS  53           HD2      LYS  53  -3.278  -1.012  -5.714
  269    HD3  LYS  53           HD3      LYS  53  -2.349   0.269  -4.933
  270    HE2  LYS  53           HE2      LYS  53  -0.878  -0.946  -6.368
  271    HE3  LYS  53           HE3      LYS  53  -0.457  -1.331  -4.702
  272    HZ1  LYS  53           HZ3      LYS  53  -1.981  -3.019  -6.610
  273    HZ2  LYS  53           HZ1      LYS  53  -1.837  -3.382  -4.957
  274    HZ3  LYS  53           HZ2      LYS  53  -0.457  -3.333  -5.946
  275    H    VAL  54           HN       VAL  54  -1.270  -0.786   0.661
  276    HA   VAL  54           HA       VAL  54  -2.396   1.516   2.038
  277    HB   VAL  54           HB       VAL  54  -1.582  -0.291   3.419
  278   HG11  VAL  54          HG11      VAL  54   1.097   0.117   2.113
  279   HG12  VAL  54          HG12      VAL  54   0.783  -0.926   3.498
  280   HG13  VAL  54          HG13      VAL  54   0.045  -1.286   1.939
  281   HG21  VAL  54          HG23      VAL  54   0.009   0.923   4.852
  282   HG22  VAL  54          HG21      VAL  54   0.228   2.110   3.565
  283   HG23  VAL  54          HG22      VAL  54  -1.347   1.927   4.336
  284    H    TYR  55           HN       TYR  55  -1.516   3.543   2.009
  285    HA   TYR  55           HA       TYR  55   0.828   3.941   0.266
  286    HD1  TYR  55           HD2      TYR  55  -2.657   3.476  -0.231
  287    HD2  TYR  55           HD1      TYR  55  -0.119   6.020  -2.515
  288    HE1  TYR  55           HE2      TYR  55  -3.571   2.525  -2.303
  289    HE2  TYR  55           HE1      TYR  55  -1.030   5.068  -4.588
  290    HH   TYR  55           HH       TYR  55  -3.799   2.987  -4.575
  291    HB2  TYR  55           HB2      TYR  55  -1.568   5.738   0.658
  292    HB3  TYR  55           HB3      TYR  55  -0.115   6.220  -0.202
  293    H    ASP  56           HN       ASP  56   1.901   6.125   0.708
  294    HA   ASP  56           HA       ASP  56   1.716   6.965   3.513
  295    HB2  ASP  56           HB2      ASP  56   3.680   5.474   3.345
  296    HB3  ASP  56           HB3      ASP  56   4.303   6.444   2.023
  297    H    LEU  57           HN       LEU  57   1.604   9.181   3.685
  298    HA   LEU  57           HA       LEU  57   2.510  10.708   1.332
  299    HG   LEU  57           HG       LEU  57  -0.626  10.130   2.257
  300    HB2  LEU  57           HB2      LEU  57   0.700  11.703   3.537
  301    HB3  LEU  57           HB3      LEU  57   1.143  12.569   2.087
  302   HD11  LEU  57          HD11      LEU  57  -1.681  12.222   2.940
  303   HD12  LEU  57          HD12      LEU  57  -1.204  12.963   1.413
  304   HD13  LEU  57          HD13      LEU  57  -2.351  11.621   1.424
  305   HD21  LEU  57          HD23      LEU  57   0.206  11.665  -0.201
  306   HD22  LEU  57          HD21      LEU  57   0.824  10.077   0.251
  307   HD23  LEU  57          HD22      LEU  57  -0.886  10.281  -0.137
  308    H    THR  58           HN       THR  58   2.113  11.390   4.759
  309    HA   THR  58           HA       THR  58   3.433  12.118   6.411
  310    HB   THR  58           HB       THR  58   5.663  10.887   4.819
  311    HG1  THR  58           HG1      THR  58   4.617   9.102   5.290
  312   HG21  THR  58          HG23      THR  58   6.758  10.618   7.018
  313   HG22  THR  58          HG21      THR  58   5.442  11.520   7.770
  314   HG23  THR  58          HG22      THR  58   6.510  12.315   6.615
  315    H    LYS  59           HN       LYS  59   5.607  12.675   3.626
  316    HA   LYS  59           HA       LYS  59   6.061  15.398   4.580
  317    HB2  LYS  59           HB2      LYS  59   7.242  13.787   2.317
  318    HB3  LYS  59           HB3      LYS  59   7.662  15.466   2.638
  319    HG2  LYS  59           HG2      LYS  59   8.330  14.727   4.954
  320    HG3  LYS  59           HG3      LYS  59   8.168  13.069   4.370
  321    HD2  LYS  59           HD2      LYS  59   9.824  13.484   2.653
  322    HD3  LYS  59           HD3      LYS  59   9.949  15.174   3.149
  323    HE2  LYS  59           HE2      LYS  59  11.789  14.019   4.108
  324    HE3  LYS  59           HE3      LYS  59  10.648  14.359   5.408
  325    HZ1  LYS  59           HZ3      LYS  59  10.885  12.198   5.871
  326    HZ2  LYS  59           HZ1      LYS  59  11.517  11.827   4.338
  327    HZ3  LYS  59           HZ2      LYS  59   9.843  11.940   4.560
  328    H    PHE  60           HN       PHE  60   4.273  13.645   2.308
  329    HA   PHE  60           HA       PHE  60   4.082  15.539   0.224
  330    HD1  PHE  60           HD2      PHE  60   4.239  14.341  -2.103
  331    HD2  PHE  60           HD1      PHE  60   0.348  13.574  -0.557
  332    HE1  PHE  60           HE2      PHE  60   3.278  14.739  -4.330
  333    HE2  PHE  60           HE1      PHE  60  -0.618  13.975  -2.786
  334    HZ   PHE  60           HZ       PHE  60   0.810  14.369  -4.687
  335    HB2  PHE  60           HB2      PHE  60   3.785  13.036   0.088
  336    HB3  PHE  60           HB3      PHE  60   2.202  13.263   0.813
  337    H    LEU  61           HN       LEU  61   2.818  15.579   3.213
  338    HA   LEU  61           HA       LEU  61   0.090  15.987   3.035
  339    HG   LEU  61           HG       LEU  61   2.277  14.735   5.061
  340    HB2  LEU  61           HB2      LEU  61   2.023  17.143   5.039
  341    HB3  LEU  61           HB3      LEU  61   0.290  17.000   5.255
  342   HD11  LEU  61          HD11      LEU  61   2.217  15.934   7.206
  343   HD12  LEU  61          HD12      LEU  61   0.484  15.625   7.313
  344   HD13  LEU  61          HD13      LEU  61   1.622  14.279   7.343
  345   HD21  LEU  61          HD23      LEU  61   0.278  13.313   5.551
  346   HD22  LEU  61          HD21      LEU  61  -0.730  14.711   5.178
  347   HD23  LEU  61          HD22      LEU  61   0.306  14.016   3.934
  348    H    GLU  62           HN       GLU  62   2.730  18.242   2.722
  349    HA   GLU  62           HA       GLU  62   1.127  20.604   3.064
  350    HB2  GLU  62           HB2      GLU  62   3.922  20.443   1.946
  351    HB3  GLU  62           HB3      GLU  62   3.150  21.816   2.725
  352    HG2  GLU  62           HG2      GLU  62   3.107  20.536   4.837
  353    HG3  GLU  62           HG3      GLU  62   4.005  19.243   4.027
  354    H    GLU  63           HN       GLU  63   2.407  18.720   0.483
  355    HA   GLU  63           HA       GLU  63   2.238  20.819  -1.505
  356    HB2  GLU  63           HB2      GLU  63   2.997  17.925  -1.887
  357    HB3  GLU  63           HB3      GLU  63   3.421  19.291  -2.911
  358    HG2  GLU  63           HG2      GLU  63   4.886  20.173  -1.244
  359    HG3  GLU  63           HG3      GLU  63   4.356  18.969  -0.069
  360    H    HIS  64           HN       HIS  64   0.523  18.019  -0.463
  361    HA   HIS  64           HA       HIS  64  -0.965  17.528  -2.773
  362    HD1  HIS  64           HD1      HIS  64  -3.880  16.099   0.503
  363    HD2  HIS  64           HD2      HIS  64  -2.497  15.012  -3.314
  364    HE1  HIS  64           HE1      HIS  64  -5.733  14.732  -0.593
  365    HB2  HIS  64           HB3      HIS  64  -0.649  15.864  -1.019
  366    HB3  HIS  64           HB2      HIS  64  -1.520  16.836   0.124
  367    HA   PRO  65           HA       PRO  65  -3.639  21.140  -2.779
  368    HB2  PRO  65           HB2      PRO  65  -5.463  19.206  -4.152
  369    HB3  PRO  65           HB3      PRO  65  -4.971  20.831  -4.642
  370    HG2  PRO  65           HG2      PRO  65  -3.890  18.731  -5.826
  371    HG3  PRO  65           HG3      PRO  65  -2.878  20.115  -5.376
  372    HD2  PRO  65           HD2      PRO  65  -3.163  17.456  -4.032
  373    HD3  PRO  65           HD3      PRO  65  -1.703  18.433  -4.302
  374    H    GLY  66           HN       GLY  66  -4.442  18.119  -1.377
  375    HA2  GLY  66           HA1      GLY  66  -7.079  18.817  -0.439
  376    HA3  GLY  66           HA2      GLY  66  -6.166  17.377  -0.023
  377    H    GLY  67           HN       GLY  67  -4.654  20.419   0.354
  378    HA2  GLY  67           HA1      GLY  67  -4.311  21.837   2.112
  379    HA3  GLY  67           HA2      GLY  67  -5.646  21.057   2.944
  380    H    GLU  68           HN       GLU  68  -5.265  19.294   4.233
  381    HA   GLU  68           HA       GLU  68  -2.899  18.063   4.928
  382    HB2  GLU  68           HB2      GLU  68  -2.082  20.401   5.333
  383    HB3  GLU  68           HB3      GLU  68  -3.358  20.613   6.520
  384    HG2  GLU  68           HG2      GLU  68  -1.581  18.307   6.949
  385    HG3  GLU  68           HG3      GLU  68  -0.829  19.896   7.105
  386    H    GLU  69           HN       GLU  69  -5.299  20.006   6.536
  387    HA   GLU  69           HA       GLU  69  -5.702  18.503   8.813
  388    HB2  GLU  69           HB2      GLU  69  -6.322  20.835   8.598
  389    HB3  GLU  69           HB3      GLU  69  -7.541  20.442   7.394
  390    HG2  GLU  69           HG2      GLU  69  -9.039  19.772   8.932
  391    HG3  GLU  69           HG3      GLU  69  -7.805  19.084   9.989
  392    H    VAL  70           HN       VAL  70  -7.385  18.318   5.722
  393    HA   VAL  70           HA       VAL  70  -9.432  16.591   6.847
  394    HB   VAL  70           HB       VAL  70  -9.225  17.448   3.962
  395   HG11  VAL  70          HG11      VAL  70 -11.528  16.546   5.689
  396   HG12  VAL  70          HG12      VAL  70 -11.708  17.213   4.065
  397   HG13  VAL  70          HG13      VAL  70 -10.832  15.702   4.308
  398   HG21  VAL  70          HG23      VAL  70  -9.111  19.449   5.358
  399   HG22  VAL  70          HG21      VAL  70 -10.656  19.357   4.512
  400   HG23  VAL  70          HG22      VAL  70 -10.562  18.936   6.222
  401    H    LEU  71           HN       LEU  71  -6.397  16.085   5.781
  402    HA   LEU  71           HA       LEU  71  -6.911  13.623   4.354
  403    HG   LEU  71           HG       LEU  71  -5.285  16.008   3.449
  404    HB2  LEU  71           HB2      LEU  71  -4.357  14.808   5.454
  405    HB3  LEU  71           HB3      LEU  71  -4.437  13.316   4.533
  406   HD11  LEU  71          HD11      LEU  71  -2.888  15.985   3.908
  407   HD12  LEU  71          HD12      LEU  71  -2.725  14.455   3.041
  408   HD13  LEU  71          HD13      LEU  71  -3.190  15.918   2.169
  409   HD21  LEU  71          HD23      LEU  71  -6.353  13.995   2.468
  410   HD22  LEU  71          HD21      LEU  71  -5.333  14.863   1.326
  411   HD23  LEU  71          HD22      LEU  71  -4.753  13.376   2.075
  412    H    ARG  72           HN       ARG  72  -6.002  14.746   7.497
  413    HA   ARG  72           HA       ARG  72  -4.917  12.465   8.626
  414    HE   ARG  72           HE       ARG  72  -6.130  16.130  11.378
  415    HB2  ARG  72           HB2      ARG  72  -6.449  14.604  10.104
  416    HB3  ARG  72           HB3      ARG  72  -5.158  13.588  10.733
  417    HG2  ARG  72           HG2      ARG  72  -3.590  14.640   9.157
  418    HG3  ARG  72           HG3      ARG  72  -4.885  15.701   8.606
  419    HD2  ARG  72           HD2      ARG  72  -3.667  15.576  11.359
  420    HD3  ARG  72           HD3      ARG  72  -3.543  16.890  10.191
  421   HH11  ARG  72          HH12      ARG  72  -3.759  18.532  10.451
  422   HH12  ARG  72          HH11      ARG  72  -4.619  19.845  11.209
  423   HH21  ARG  72          HH22      ARG  72  -7.299  17.880  12.318
  424   HH22  ARG  72          HH21      ARG  72  -6.672  19.492  12.178
  425    H    GLU  73           HN       GLU  73  -8.241  13.350   8.229
  426    HA   GLU  73           HA       GLU  73  -9.273  11.742  10.363
  427    HB2  GLU  73           HB2      GLU  73 -10.282  13.886   9.547
  428    HB3  GLU  73           HB3      GLU  73 -10.753  13.054   8.073
  429    HG2  GLU  73           HG2      GLU  73 -12.255  11.641   9.251
  430    HG3  GLU  73           HG3      GLU  73 -11.643  12.190  10.811
  431    H    GLN  74           HN       GLN  74  -8.610  11.309   7.014
  432    HA   GLN  74           HA       GLN  74 -10.199   8.859   6.801
  433    HB2  GLN  74           HB2      GLN  74  -8.816  10.671   4.850
  434    HB3  GLN  74           HB3      GLN  74  -9.198   9.027   4.381
  435    HG2  GLN  74           HG2      GLN  74 -10.907  10.540   3.610
  436    HG3  GLN  74           HG3      GLN  74 -11.562   9.436   4.821
  437   HE21  GLN  74          HE21      GLN  74 -10.590  12.712   4.149
  438   HE22  GLN  74          HE22      GLN  74 -11.410  13.437   5.480
  439    H    ALA  75           HN       ALA  75  -7.045   9.968   7.356
  440    HA   ALA  75           HA       ALA  75  -5.523   7.850   6.279
  441    HB1  ALA  75           HB3      ALA  75  -4.571  10.039   6.822
  442    HB2  ALA  75           HB1      ALA  75  -4.840   9.725   8.537
  443    HB3  ALA  75           HB2      ALA  75  -3.701   8.735   7.630
  444    H    GLY  76           HN       GLY  76  -4.736   6.012   7.186
  445    HA2  GLY  76           HA1      GLY  76  -4.334   4.615   9.131
  446    HA3  GLY  76           HA2      GLY  76  -5.809   5.271   9.831
  447    H    GLY  77           HN       GLY  77  -7.190   5.080   7.182
  448    HA2  GLY  77           HA1      GLY  77  -7.207   2.180   6.753
  449    HA3  GLY  77           HA2      GLY  77  -8.726   2.968   7.177
  450    H    ASP  78           HN       ASP  78  -9.602   2.316   5.129
  451    HA   ASP  78           HA       ASP  78  -8.354   3.208   2.714
  452    HB2  ASP  78           HB2      ASP  78 -10.017   1.226   3.049
  453    HB3  ASP  78           HB3      ASP  78 -11.254   2.467   2.873
  454    H    ALA  79           HN       ALA  79  -9.072   4.854   1.323
  455    HA   ALA  79           HA       ALA  79 -10.809   6.859   2.596
  456    HB1  ALA  79           HB3      ALA  79  -8.505   7.577   2.832
  457    HB2  ALA  79           HB1      ALA  79  -8.254   7.409   1.092
  458    HB3  ALA  79           HB2      ALA  79  -9.365   8.631   1.709
  459    H    THR  80           HN       THR  80 -10.932   4.717   0.321
  460    HA   THR  80           HA       THR  80 -11.322   5.990  -2.136
  461    HB   THR  80           HB       THR  80 -11.256   3.521  -1.858
  462    HG1  THR  80           HG1      THR  80 -13.709   4.336  -3.077
  463   HG21  THR  80          HG23      THR  80 -12.694   3.353   0.138
  464   HG22  THR  80          HG21      THR  80 -13.252   2.304  -1.167
  465   HG23  THR  80          HG22      THR  80 -14.087   3.825  -0.835
  466    H    GLU  81           HN       GLU  81 -13.202   6.064   0.712
  467    HA   GLU  81           HA       GLU  81 -15.788   6.469  -0.141
  468    HB2  GLU  81           HB2      GLU  81 -14.857   6.341   2.247
  469    HB3  GLU  81           HB3      GLU  81 -14.458   8.042   2.086
  470    HG2  GLU  81           HG2      GLU  81 -16.469   8.271   3.084
  471    HG3  GLU  81           HG3      GLU  81 -17.025   8.169   1.411
  472    H    ASN  82           HN       ASN  82 -13.356   8.967   0.496
  473    HA   ASN  82           HA       ASN  82 -14.881  11.146  -0.441
  474    HB2  ASN  82           HB2      ASN  82 -11.871  10.877  -0.246
  475    HB3  ASN  82           HB3      ASN  82 -12.782  12.387  -0.318
  476   HD21  ASN  82          HD21      ASN  82 -13.853  13.113   1.495
  477   HD22  ASN  82          HD22      ASN  82 -13.683  12.376   3.051
  478    H    PHE  83           HN       PHE  83 -12.603   8.991  -1.926
  479    HA   PHE  83           HA       PHE  83 -12.240  10.268  -4.392
  480    HD1  PHE  83           HD1      PHE  83  -9.900   9.221  -5.894
  481    HD2  PHE  83           HD2      PHE  83 -12.810   6.155  -5.410
  482    HE1  PHE  83           HE1      PHE  83  -9.437   8.423  -8.177
  483    HE2  PHE  83           HE2      PHE  83 -12.358   5.356  -7.689
  484    HZ   PHE  83           HZ       PHE  83 -10.668   6.487  -9.077
  485    HB2  PHE  83           HB2      PHE  83 -10.730   8.539  -3.679
  486    HB3  PHE  83           HB3      PHE  83 -12.027   7.364  -3.537
  487    H    GLU  84           HN       GLU  84 -14.850   8.351  -3.129
  488    HA   GLU  84           HA       GLU  84 -16.069   8.120  -5.801
  489    HB2  GLU  84           HB2      GLU  84 -17.167   6.160  -5.022
  490    HB3  GLU  84           HB3      GLU  84 -15.509   6.055  -4.454
  491    HG2  GLU  84           HG2      GLU  84 -16.203   6.790  -2.244
  492    HG3  GLU  84           HG3      GLU  84 -17.876   6.855  -2.799
  493    H    ASP  85           HN       ASP  85 -16.261   9.894  -3.016
  494    HA   ASP  85           HA       ASP  85 -19.174  10.253  -3.002
  495    HB2  ASP  85           HB2      ASP  85 -18.001   9.825  -0.859
  496    HB3  ASP  85           HB3      ASP  85 -17.060  11.291  -1.093
  497    H    VAL  86           HN       VAL  86 -16.166  12.141  -3.319
  498    HA   VAL  86           HA       VAL  86 -17.776  14.271  -4.565
  499    HB   VAL  86           HB       VAL  86 -16.137  15.958  -3.689
  500   HG11  VAL  86          HG11      VAL  86 -17.669  14.426  -1.586
  501   HG12  VAL  86          HG12      VAL  86 -17.139  16.107  -1.479
  502   HG13  VAL  86          HG13      VAL  86 -18.348  15.637  -2.675
  503   HG21  VAL  86          HG23      VAL  86 -15.260  13.671  -1.927
  504   HG22  VAL  86          HG21      VAL  86 -14.287  14.477  -3.157
  505   HG23  VAL  86          HG22      VAL  86 -14.799  15.361  -1.721
  506    H    GLY  87           HN       GLY  87 -14.960  12.267  -4.734
  507    HA2  GLY  87           HA1      GLY  87 -14.385  11.678  -7.018
  508    HA3  GLY  87           HA2      GLY  87 -14.555  13.372  -7.435
  509    H    HIS  88           HN       HIS  88 -12.443  12.667  -8.403
  510    HA   HIS  88           HA       HIS  88 -10.258  13.757  -6.895
  511    HD1  HIS  88           HD1      HIS  88  -7.453  10.153  -7.254
  512    HD2  HIS  88           HD2      HIS  88  -8.675  13.487  -5.068
  513    HE1  HIS  88           HE1      HIS  88  -5.466  10.845  -5.824
  514    HB2  HIS  88           HB2      HIS  88 -10.532  11.162  -6.345
  515    HB3  HIS  88           HB3      HIS  88  -9.770  10.968  -7.916
  516    H    SER  89           HN       SER  89  -8.235  12.649  -8.702
  517    HA   SER  89           HA       SER  89  -9.366  13.074 -11.342
  518    HG   SER  89           HG       SER  89  -6.602  15.252 -12.271
  519    HB2  SER  89           HB2      SER  89  -8.592  15.256 -10.821
  520    HB3  SER  89           HB3      SER  89  -7.064  14.609 -10.261
  521    H    THR  90           HN       THR  90  -8.327  12.004 -13.014
  522    HA   THR  90           HA       THR  90  -7.049   9.607 -12.355
  523    HB   THR  90           HB       THR  90  -6.904  10.954 -15.055
  524    HG1  THR  90           HG1      THR  90  -8.934   9.695 -15.347
  525   HG21  THR  90          HG23      THR  90  -6.913   8.071 -14.152
  526   HG22  THR  90          HG21      THR  90  -5.585   8.944 -14.916
  527   HG23  THR  90          HG22      THR  90  -7.045   8.586 -15.835
  528    H    ASP  91           HN       ASP  91  -5.723  12.746 -13.119
  529    HA   ASP  91           HA       ASP  91  -3.091  12.331 -13.736
  530    HB2  ASP  91           HB2      ASP  91  -4.180  14.537 -13.437
  531    HB3  ASP  91           HB3      ASP  91  -4.206  14.287 -11.697
  532    H    ALA  92           HN       ALA  92  -4.626  12.069 -10.608
  533    HA   ALA  92           HA       ALA  92  -2.210  11.768  -9.117
  534    HB1  ALA  92           HB3      ALA  92  -3.658  11.550  -7.218
  535    HB2  ALA  92           HB1      ALA  92  -4.249  12.846  -8.257
  536    HB3  ALA  92           HB2      ALA  92  -5.049  11.276  -8.266
  537    H    ARG  93           HN       ARG  93  -3.804   9.608 -11.060
  538    HA   ARG  93           HA       ARG  93  -3.466   7.273  -9.360
  539    HE   ARG  93           HE       ARG  93  -5.759   5.082 -12.073
  540    HB2  ARG  93           HB2      ARG  93  -4.325   7.575 -12.242
  541    HB3  ARG  93           HB3      ARG  93  -4.283   6.047 -11.380
  542    HG2  ARG  93           HG2      ARG  93  -5.971   6.835  -9.842
  543    HG3  ARG  93           HG3      ARG  93  -5.970   8.418 -10.623
  544    HD2  ARG  93           HD2      ARG  93  -7.835   7.005 -11.366
  545    HD3  ARG  93           HD3      ARG  93  -6.761   7.440 -12.687
  546   HH11  ARG  93          HH12      ARG  93  -9.128   6.027 -12.300
  547   HH12  ARG  93          HH11      ARG  93  -9.675   4.436 -12.741
  548   HH21  ARG  93          HH22      ARG  93  -6.472   3.002 -12.667
  549   HH22  ARG  93          HH21      ARG  93  -8.167   2.720 -12.946
  550    H    GLU  94           HN       GLU  94  -1.589   9.142 -11.358
  551    HA   GLU  94           HA       GLU  94   0.182   6.965 -12.265
  552    HB2  GLU  94           HB2      GLU  94  -0.732   8.352 -14.053
  553    HB3  GLU  94           HB3      GLU  94  -0.231   9.812 -13.228
  554    HG2  GLU  94           HG2      GLU  94   1.253   9.437 -15.038
  555    HG3  GLU  94           HG3      GLU  94   2.127   9.127 -13.544
  556    H    MET  95           HN       MET  95  -0.146   9.867 -10.478
  557    HA   MET  95           HA       MET  95   2.607  10.360  -9.900
  558    HB2  MET  95           HB2      MET  95   0.822  12.099  -9.916
  559    HB3  MET  95           HB3      MET  95   0.105  11.336  -8.508
  560    HG2  MET  95           HG2      MET  95   1.299  13.046  -7.554
  561    HG3  MET  95           HG3      MET  95   2.434  11.704  -7.434
  562    HE1  MET  95           HE3      MET  95   2.698  14.980 -10.676
  563    HE2  MET  95           HE1      MET  95   1.501  13.686 -10.706
  564    HE3  MET  95           HE2      MET  95   1.435  14.919  -9.448
  565    H    SER  96           HN       SER  96   0.066   8.435  -8.536
  566    HA   SER  96           HA       SER  96   1.071   8.654  -5.849
  567    HG   SER  96           HG       SER  96  -2.111   7.515  -7.655
  568    HB2  SER  96           HB2      SER  96  -0.903   7.306  -5.245
  569    HB3  SER  96           HB3      SER  96  -1.313   8.745  -6.171
  570    H    LYS  97           HN       LYS  97   1.721   6.658  -8.386
  571    HA   LYS  97           HA       LYS  97   1.587   4.066  -7.409
  572    HB2  LYS  97           HB2      LYS  97   3.648   5.180  -9.325
  573    HB3  LYS  97           HB3      LYS  97   3.201   3.488  -9.147
  574    HG2  LYS  97           HG2      LYS  97   0.935   4.013  -9.923
  575    HG3  LYS  97           HG3      LYS  97   1.406   5.702 -10.119
  576    HD2  LYS  97           HD2      LYS  97   2.477   3.314 -11.617
  577    HD3  LYS  97           HD3      LYS  97   1.524   4.652 -12.264
  578    HE2  LYS  97           HE2      LYS  97   3.394   6.184 -11.607
  579    HE3  LYS  97           HE3      LYS  97   4.343   4.758 -11.202
  580    HZ1  LYS  97           HZ3      LYS  97   4.887   5.489 -13.402
  581    HZ2  LYS  97           HZ1      LYS  97   3.256   5.463 -13.870
  582    HZ3  LYS  97           HZ2      LYS  97   4.073   4.012 -13.513
  583    H    THR  98           HN       THR  98   4.096   6.502  -7.035
  584    HA   THR  98           HA       THR  98   6.052   4.664  -6.013
  585    HB   THR  98           HB       THR  98   6.507   7.513  -5.514
  586    HG1  THR  98           HG1      THR  98   5.960   8.234  -7.431
  587   HG21  THR  98          HG23      THR  98   7.941   5.460  -7.216
  588   HG22  THR  98          HG21      THR  98   8.310   5.844  -5.534
  589   HG23  THR  98          HG22      THR  98   8.558   7.055  -6.791
  590    H    PHE  99           HN       PHE  99   3.349   5.822  -4.661
  591    HA   PHE  99           HA       PHE  99   4.478   6.171  -1.972
  592    HD1  PHE  99           HD1      PHE  99   4.284   8.611  -1.004
  593    HD2  PHE  99           HD2      PHE  99   2.130   8.536  -4.670
  594    HE1  PHE  99           HE1      PHE  99   5.193  10.823  -1.577
  595    HE2  PHE  99           HE2      PHE  99   3.038  10.744  -5.253
  596    HZ   PHE  99           HZ       PHE  99   4.576  11.891  -3.700
  597    HB2  PHE  99           HB2      PHE  99   1.766   6.879  -3.110
  598    HB3  PHE  99           HB3      PHE  99   2.230   7.118  -1.429
  599    H    ILE 100           HN       ILE 100   3.117   3.842  -3.931
  600    HA   ILE 100           HA       ILE 100   1.377   2.616  -1.980
  601    HB   ILE 100           HB       ILE 100   2.409   1.302  -4.491
  602   HG12  ILE 100          HG12      ILE 100  -0.053   3.030  -4.172
  603   HG13  ILE 100          HG13      ILE 100   1.390   3.466  -5.083
  604   HG21  ILE 100          HG21      ILE 100  -0.042   0.871  -2.807
  605   HG22  ILE 100          HG22      ILE 100   0.361  -0.012  -4.278
  606   HG23  ILE 100          HG23      ILE 100   1.392  -0.155  -2.855
  607   HD11  ILE 100          HD13      ILE 100  -0.437   2.731  -6.528
  608   HD12  ILE 100          HD11      ILE 100   0.966   1.669  -6.656
  609   HD13  ILE 100          HD12      ILE 100  -0.444   1.163  -5.721
  610    H    ILE 101           HN       ILE 101   2.558   1.963  -0.216
  611    HA   ILE 101           HA       ILE 101   5.205   0.854  -0.562
  612    HB   ILE 101           HB       ILE 101   5.204   0.738   1.932
  613   HG12  ILE 101          HG12      ILE 101   2.487   2.016   1.593
  614   HG13  ILE 101          HG13      ILE 101   2.811   0.427   2.278
  615   HG21  ILE 101          HG21      ILE 101   5.277   3.174   2.267
  616   HG22  ILE 101          HG22      ILE 101   6.101   2.682   0.788
  617   HG23  ILE 101          HG23      ILE 101   4.496   3.401   0.706
  618   HD11  ILE 101          HD13      ILE 101   3.989   1.448   4.127
  619   HD12  ILE 101          HD11      ILE 101   3.711   3.044   3.437
  620   HD13  ILE 101          HD12      ILE 101   2.349   2.076   3.997
  621    H    GLY 102           HN       GLY 102   2.027  -0.385  -0.252
  622    HA2  GLY 102           HA1      GLY 102   2.708  -2.968  -0.926
  623    HA3  GLY 102           HA2      GLY 102   2.704  -2.938   0.832
  624    H    GLU 103           HN       GLU 103   0.925  -4.511   0.607
  625    HA   GLU 103           HA       GLU 103  -1.592  -3.016   0.383
  626    HB2  GLU 103           HB2      GLU 103  -1.101  -5.829  -0.584
  627    HB3  GLU 103           HB3      GLU 103  -2.704  -5.137  -0.373
  628    HG2  GLU 103           HG2      GLU 103  -1.915  -3.277  -1.932
  629    HG3  GLU 103           HG3      GLU 103  -0.566  -4.343  -2.317
  630    H    LEU 104           HN       LEU 104  -3.283  -5.076   1.236
  631    HA   LEU 104           HA       LEU 104  -2.743  -4.710   4.074
  632    HG   LEU 104           HG       LEU 104  -5.534  -5.519   5.223
  633    HB2  LEU 104           HB2      LEU 104  -4.845  -4.003   2.725
  634    HB3  LEU 104           HB3      LEU 104  -5.296  -5.685   2.876
  635   HD11  LEU 104          HD11      LEU 104  -4.258  -2.791   5.038
  636   HD12  LEU 104          HD12      LEU 104  -4.885  -3.545   6.501
  637   HD13  LEU 104          HD13      LEU 104  -3.492  -4.244   5.676
  638   HD21  LEU 104          HD23      LEU 104  -7.386  -4.572   4.017
  639   HD22  LEU 104          HD21      LEU 104  -7.091  -3.592   5.457
  640   HD23  LEU 104          HD22      LEU 104  -6.557  -3.024   3.874
  641    H    HIS 105           HN       HIS 105  -3.558  -6.514   5.580
  642    HA   HIS 105           HA       HIS 105  -2.082  -8.877   5.027
  643    HD1  HIS 105           HD1      HIS 105  -3.802 -11.134   8.175
  644    HD2  HIS 105           HD2      HIS 105  -0.271  -9.210   7.078
  645    HE1  HIS 105           HE1      HIS 105  -1.936 -12.625   8.961
  646    HE2  HIS 105           HE2      HIS 105   0.188 -11.498   8.200
  647    HB2  HIS 105           HB2      HIS 105  -2.916  -7.771   7.321
  648    HB3  HIS 105           HB3      HIS 105  -4.224  -8.933   7.097
  649    HA   PRO 106           HA       PRO 106  -4.687 -11.694   2.783
  650    HB2  PRO 106           HB2      PRO 106  -4.377 -13.273   5.311
  651    HB3  PRO 106           HB3      PRO 106  -4.318 -13.835   3.635
  652    HG2  PRO 106           HG2      PRO 106  -2.078 -13.358   5.015
  653    HG3  PRO 106           HG3      PRO 106  -2.197 -13.003   3.285
  654    HD2  PRO 106           HD2      PRO 106  -2.035 -11.152   5.558
  655    HD3  PRO 106           HD3      PRO 106  -1.729 -10.854   3.838
  656    H    ASP 107           HN       ASP 107  -5.483 -11.127   6.151
  657    HA   ASP 107           HA       ASP 107  -8.169 -12.161   5.945
  658    HB2  ASP 107           HB2      ASP 107  -6.897 -10.597   8.209
  659    HB3  ASP 107           HB3      ASP 107  -8.302 -11.655   8.310
  660    H    ASP 108           HN       ASP 108  -6.504  -9.121   6.061
  661    HA   ASP 108           HA       ASP 108  -8.907  -7.537   6.441
  662    HB2  ASP 108           HB2      ASP 108  -6.005  -6.749   6.146
  663    HB3  ASP 108           HB3      ASP 108  -7.312  -5.659   6.597
  664    H    ARG 109           HN       ARG 109  -6.691  -8.460   3.977
  665    HA   ARG 109           HA       ARG 109  -6.674  -6.289   2.266
  666    HE   ARG 109           HE       ARG 109  -3.988  -7.397  -1.821
  667    HB2  ARG 109           HB2      ARG 109  -5.243  -8.419   2.237
  668    HB3  ARG 109           HB3      ARG 109  -6.548  -9.144   1.312
  669    HG2  ARG 109           HG2      ARG 109  -6.143  -6.905  -0.122
  670    HG3  ARG 109           HG3      ARG 109  -4.517  -7.175   0.510
  671    HD2  ARG 109           HD2      ARG 109  -4.642  -9.511  -0.309
  672    HD3  ARG 109           HD3      ARG 109  -6.190  -9.126  -1.056
  673   HH11  ARG 109          HH12      ARG 109  -5.779 -10.315  -2.607
  674   HH12  ARG 109          HH11      ARG 109  -5.356 -10.264  -4.293
  675   HH21  ARG 109          HH22      ARG 109  -3.402  -7.348  -3.980
  676   HH22  ARG 109          HH21      ARG 109  -3.995  -8.569  -5.075
  677    HA   PRO 110           HA       PRO 110 -10.490  -7.732   0.003
  678    HB2  PRO 110           HB2      PRO 110 -11.354 -10.270   0.048
  679    HB3  PRO 110           HB3      PRO 110  -9.947  -9.771  -0.896
  680    HG2  PRO 110           HG2      PRO 110 -10.074 -11.399   1.542
  681    HG3  PRO 110           HG3      PRO 110  -8.762 -11.243   0.362
  682    HD2  PRO 110           HD2      PRO 110  -9.073  -9.916   2.932
  683    HD3  PRO 110           HD3      PRO 110  -7.671  -9.921   1.845
  684    H    LYS 111           HN       LYS 111 -10.401  -8.815   3.286
  685    HA   LYS 111           HA       LYS 111 -11.914  -8.842   4.975
  686    HB2  LYS 111           HB2      LYS 111 -13.447  -7.130   3.027
  687    HB3  LYS 111           HB3      LYS 111 -14.065  -7.516   4.628
  688    HG2  LYS 111           HG2      LYS 111 -12.627  -6.120   5.668
  689    HG3  LYS 111           HG3      LYS 111 -11.330  -6.416   4.508
  690    HD2  LYS 111           HD2      LYS 111 -12.210  -4.108   4.400
  691    HD3  LYS 111           HD3      LYS 111 -12.380  -4.985   2.884
  692    HE2  LYS 111           HE2      LYS 111 -14.405  -3.792   3.234
  693    HE3  LYS 111           HE3      LYS 111 -14.748  -5.490   3.552
  694    HZ1  LYS 111           HZ3      LYS 111 -14.277  -3.377   5.586
  695    HZ2  LYS 111           HZ1      LYS 111 -14.521  -5.018   5.939
  696    HZ3  LYS 111           HZ2      LYS 111 -15.760  -4.112   5.221
  697    H    LEU 112           HN       LEU 112 -14.195  -8.901   2.256
  698    HA   LEU 112           HA       LEU 112 -15.461 -11.269   3.400
  699    HG   LEU 112           HG       LEU 112 -17.432 -11.602   0.929
  700    HB2  LEU 112           HB2      LEU 112 -16.853  -9.331   2.832
  701    HB3  LEU 112           HB3      LEU 112 -16.315  -9.419   1.170
  702   HD11  LEU 112          HD11      LEU 112 -17.300 -12.312   3.278
  703   HD12  LEU 112          HD12      LEU 112 -18.488 -11.082   3.703
  704   HD13  LEU 112          HD13      LEU 112 -18.941 -12.413   2.642
  705   HD21  LEU 112          HD23      LEU 112 -18.593  -9.529   0.328
  706   HD22  LEU 112          HD21      LEU 112 -19.711 -10.757   0.920
  707   HD23  LEU 112          HD22      LEU 112 -19.235  -9.419   1.967
  708    H    ASN 113           HN       ASN 113 -14.506 -10.181   0.115
  709    HA   ASN 113           HA       ASN 113 -13.501 -12.845  -0.452
  710    HB2  ASN 113           HB2      ASN 113 -15.942 -12.896  -1.047
  711    HB3  ASN 113           HB3      ASN 113 -15.626 -11.633  -2.235
  712   HD21  ASN 113          HD21      ASN 113 -13.553 -14.340  -1.402
  713   HD22  ASN 113          HD22      ASN 113 -13.625 -15.107  -2.951
  714    H    LYS 114           HN       LYS 114 -12.342 -12.904  -2.591
  715    HA   LYS 114           HA       LYS 114 -11.410 -10.223  -3.355
  716    HB2  LYS 114           HB2      LYS 114  -9.103 -11.140  -3.513
  717    HB3  LYS 114           HB3      LYS 114  -9.735 -11.126  -1.873
  718    HG2  LYS 114           HG2      LYS 114 -10.319 -13.533  -2.154
  719    HG3  LYS 114           HG3      LYS 114  -9.470 -13.495  -3.701
  720    HD2  LYS 114           HD2      LYS 114  -7.413 -12.858  -2.580
  721    HD3  LYS 114           HD3      LYS 114  -8.252 -12.804  -1.030
  722    HE2  LYS 114           HE2      LYS 114  -8.809 -15.216  -1.337
  723    HE3  LYS 114           HE3      LYS 114  -7.769 -15.218  -2.760
  724    HZ1  LYS 114           HZ3      LYS 114  -6.957 -14.669   0.042
  725    HZ2  LYS 114           HZ1      LYS 114  -5.932 -14.480  -1.297
  726    HZ3  LYS 114           HZ2      LYS 114  -6.529 -16.017  -0.900
  727    HA   PRO 115           HA       PRO 115 -11.856 -11.736  -7.537
  728    HB2  PRO 115           HB2      PRO 115  -9.778  -9.865  -8.370
  729    HB3  PRO 115           HB3      PRO 115 -11.504  -9.841  -8.739
  730    HG2  PRO 115           HG2      PRO 115 -10.340  -8.019  -7.116
  731    HG3  PRO 115           HG3      PRO 115 -12.014  -8.563  -6.899
  732    HD2  PRO 115           HD2      PRO 115  -9.538  -9.405  -5.427
  733    HD3  PRO 115           HD3      PRO 115 -11.160  -9.053  -4.792
  734    HA   PRO 116           HA       PRO 116  -8.616 -14.835  -7.469
  735    HB2  PRO 116           HB2      PRO 116  -9.233 -15.627 -10.111
  736    HB3  PRO 116           HB3      PRO 116  -9.830 -16.354  -8.618
  737    HG2  PRO 116           HG2      PRO 116 -11.133 -14.375 -10.418
  738    HG3  PRO 116           HG3      PRO 116 -11.859 -15.654  -9.429
  739    HD2  PRO 116           HD2      PRO 116 -12.018 -13.081  -8.708
  740    HD3  PRO 116           HD3      PRO 116 -11.813 -14.372  -7.500
  741    H    GLU 117           HN       GLU 117  -9.140 -13.217 -10.591
  742    HA   GLU 117           HA       GLU 117  -6.623 -11.934 -10.634
  743    HB2  GLU 117           HB2      GLU 117  -5.731 -14.148 -10.976
  744    HB3  GLU 117           HB3      GLU 117  -6.898 -14.480 -12.242
  745    HG2  GLU 117           HG2      GLU 117  -5.849 -12.798 -13.660
  746    HG3  GLU 117           HG3      GLU 117  -4.691 -12.439 -12.382
  747    H    THR 118           HN       THR 118  -8.473 -13.559 -13.216
  748    HA   THR 118           HA       THR 118  -9.375 -10.932 -14.161
  749    HB   THR 118           HB       THR 118  -8.242 -13.000 -16.050
  750    HG1  THR 118           HG1      THR 118  -6.806 -11.732 -14.348
  751   HG21  THR 118          HG23      THR 118  -8.174 -11.179 -17.635
  752   HG22  THR 118          HG21      THR 118  -8.687 -10.032 -16.393
  753   HG23  THR 118          HG22      THR 118  -9.799 -11.278 -16.956
  754    H    LEU 119           HN       LEU 119 -11.248 -11.053 -15.546
  755    HA   LEU 119           HA       LEU 119 -12.707 -13.595 -15.295
  756    HG   LEU 119           HG       LEU 119 -14.251 -13.295 -13.458
  757    HB2  LEU 119           HB2      LEU 119 -13.623 -10.765 -14.978
  758    HB3  LEU 119           HB3      LEU 119 -14.753 -11.971 -15.549
  759   HD11  LEU 119          HD11      LEU 119 -13.233 -12.204 -11.582
  760   HD12  LEU 119          HD12      LEU 119 -12.102 -12.162 -12.933
  761   HD13  LEU 119          HD13      LEU 119 -13.016 -10.714 -12.504
  762   HD21  LEU 119          HD23      LEU 119 -15.389 -10.546 -13.001
  763   HD22  LEU 119          HD21      LEU 119 -16.249 -11.859 -13.804
  764   HD23  LEU 119          HD22      LEU 119 -15.767 -12.022 -12.113
  765    H    ILE 120           HN       ILE 120 -14.815 -13.105 -16.994
  766    HA   ILE 120           HA       ILE 120 -13.582 -13.637 -19.502
  767    HB   ILE 120           HB       ILE 120 -16.491 -13.015 -18.947
  768   HG12  ILE 120          HG12      ILE 120 -15.063 -15.676 -19.008
  769   HG13  ILE 120          HG13      ILE 120 -15.677 -14.871 -17.565
  770   HG21  ILE 120          HG21      ILE 120 -15.262 -14.555 -21.230
  771   HG22  ILE 120          HG22      ILE 120 -16.978 -14.261 -20.965
  772   HG23  ILE 120          HG23      ILE 120 -15.904 -12.912 -21.336
  773   HD11  ILE 120          HD13      ILE 120 -17.190 -16.619 -18.264
  774   HD12  ILE 120          HD11      ILE 120 -17.953 -15.043 -18.467
  775   HD13  ILE 120          HD12      ILE 120 -17.316 -15.901 -19.870
  776    H    THR 121           HN       THR 121 -14.449 -10.741 -17.967
  777    HA   THR 121           HA       THR 121 -15.668  -9.047 -19.605
  778    HB   THR 121           HB       THR 121 -13.946  -7.263 -18.766
  779    HG1  THR 121           HG1      THR 121 -12.463  -9.109 -18.208
  780   HG21  THR 121          HG23      THR 121 -16.183  -7.496 -17.860
  781   HG22  THR 121          HG21      THR 121 -15.024  -7.296 -16.542
  782   HG23  THR 121          HG22      THR 121 -15.677  -8.893 -16.910
  783    H    THR 122           HN       THR 122 -15.492  -9.201 -21.717
  784    HA   THR 122           HA       THR 122 -14.921  -8.703 -23.797
  785    HB   THR 122           HB       THR 122 -14.428  -6.452 -22.667
  786    HG1  THR 122           HG1      THR 122 -12.940  -6.732 -25.041
  787   HG21  THR 122          HG23      THR 122 -12.237  -6.993 -21.705
  788   HG22  THR 122          HG21      THR 122 -12.133  -5.647 -22.841
  789   HG23  THR 122          HG22      THR 122 -11.596  -7.254 -23.328
  790    H    ILE 123           HN       ILE 123 -13.886  -9.644 -25.380
  791    HA   ILE 123           HA       ILE 123 -11.411 -11.072 -24.811
  792    HB   ILE 123           HB       ILE 123 -13.098 -11.077 -27.330
  793   HG12  ILE 123          HG12      ILE 123 -12.847 -13.155 -25.142
  794   HG13  ILE 123          HG13      ILE 123 -14.219 -12.069 -25.352
  795   HG21  ILE 123          HG21      ILE 123 -11.751 -13.094 -27.900
  796   HG22  ILE 123          HG22      ILE 123 -10.809 -11.606 -27.855
  797   HG23  ILE 123          HG23      ILE 123 -10.718 -12.748 -26.516
  798   HD11  ILE 123          HD13      ILE 123 -14.628 -14.334 -26.219
  799   HD12  ILE 123          HD11      ILE 123 -14.747 -13.096 -27.468
  800   HD13  ILE 123          HD12      ILE 123 -13.311 -14.111 -27.368
  801    H    ASP 124           HN       ASP 124  -9.523 -10.216 -25.271
  802    HA   ASP 124           HA       ASP 124  -7.905  -8.809 -26.005
  803    HB2  ASP 124           HB2      ASP 124  -8.900  -9.527 -28.291
  804    HB3  ASP 124           HB3      ASP 124  -9.679  -7.953 -28.290
  805    H    SER 125           HN       SER 125  -8.645  -6.194 -27.457
  806    HA   SER 125           HA       SER 125  -9.233  -4.745 -25.022
  807    HG   SER 125           HG       SER 125  -6.626  -3.532 -27.215
  808    HB2  SER 125           HB2      SER 125  -8.731  -3.684 -27.812
  809    HB3  SER 125           HB3      SER 125  -8.736  -2.743 -26.320
  810    H    SER 126           HN       SER 126 -10.643  -2.586 -25.743
  811    HA   SER 126           HA       SER 126 -13.090  -3.516 -27.055
  812    HG   SER 126           HG       SER 126 -15.182  -3.158 -25.892
  813    HB2  SER 126           HB2      SER 126 -13.372  -3.702 -24.581
  814    HB3  SER 126           HB3      SER 126 -13.042  -1.975 -24.445
  815    H    SER 127           HN       SER 127 -12.367  -0.504 -25.315
  816    HA   SER 127           HA       SER 127 -11.837   0.853 -27.838
  817    HG   SER 127           HG       SER 127 -12.700   3.379 -27.248
  818    HB2  SER 127           HB2      SER 127 -14.293   1.050 -27.472
  819    HB3  SER 127           HB3      SER 127 -13.979   1.826 -25.921
  820    H    SER 128           HN       SER 128 -10.724   0.111 -25.010
  821    HA   SER 128           HA       SER 128  -8.896   2.209 -24.742
  822    HG   SER 128           HG       SER 128  -9.755   3.485 -21.545
  823    HB2  SER 128           HB2      SER 128 -10.927   3.397 -23.853
  824    HB3  SER 128           HB3      SER 128 -11.030   2.182 -22.586
  825    HHA  HEM 129           HHA      HEM 129  -5.914  17.307  -6.041
  826    HHB  HEM 129           HHB      HEM 129  -1.650  12.459  -5.934
  827    HHC  HEM 129           HHC      HEM 129  -4.942   9.720  -1.207
  828    HHD  HEM 129           HHD      HEM 129  -9.157  14.597  -1.179
  829    HAB  HEM 129           HAB      HEM 129  -1.837   9.060  -1.190
  830    HAC  HEM 129           HAC      HEM 129  -9.856  13.053   0.444
  831   HMA1  HEM 129          HMA1      HEM 129  -1.673  15.384  -8.536
  832   HMA2  HEM 129          HMA2      HEM 129  -0.756  14.734  -7.176
  833   HMA3  HEM 129          HMA3      HEM 129  -1.677  13.652  -8.228
  834   HAA1  HEM 129          HAA1      HEM 129  -3.117  17.622  -7.874
  835   HAA2  HEM 129          HAA2      HEM 129  -3.431  16.356  -8.613
  836   HBA1  HEM 129          HBA1      HEM 129  -5.027  18.036  -9.328
  837   HBA2  HEM 129          HBA2      HEM 129  -6.063  16.982  -8.344
  838   HMB1  HEM 129          HMB1      HEM 129   0.169  10.952  -3.632
  839   HMB2  HEM 129          HMB2      HEM 129  -0.516   9.971  -5.086
  840   HMB3  HEM 129          HMB3      HEM 129  -0.631   9.690  -3.592
  841   HBB1  HEM 129          HBB1      HEM 129  -3.606   7.707  -3.268
  842   HBB2  HEM 129          HBB2      HEM 129  -2.721   6.928  -1.817
  843   HMC1  HEM 129          HMC1      HEM 129  -6.937   9.481   0.788
  844   HMC2  HEM 129          HMC2      HEM 129  -8.549   9.507   0.066
  845   HMC3  HEM 129          HMC3      HEM 129  -7.125   8.908  -0.855
  846   HBC1  HEM 129          HBC1      HEM 129  -9.880  11.838   2.479
  847   HBC2  HEM 129          HBC2      HEM 129  -8.325  10.940   2.033
  848   HMD1  HEM 129          HMD1      HEM 129 -10.318  16.316  -1.705
  849   HMD2  HEM 129          HMD2      HEM 129 -10.453  17.691  -2.970
  850   HMD3  HEM 129          HMD3      HEM 129  -9.363  17.474  -1.946
  851   HAD1  HEM 129          HAD1      HEM 129  -8.253  18.264  -5.972
  852   HAD2  HEM 129          HAD2      HEM 129  -9.246  18.031  -4.857
  853   HBD1  HEM 129          HBD1      HEM 129  -8.050  20.422  -4.713
  854   HBD2  HEM 129          HBD2      HEM 129  -8.148  19.576  -3.158
  Start of MODEL    8
    1    HA   MET  21           HA       MET  21   9.968 -20.259  10.315
    2    H1   MET  21           1H       MET  21  11.855 -19.377   8.413
    3    HB2  MET  21           HB2      MET  21  10.103 -17.860   8.520
    4    HB3  MET  21           HB3      MET  21   8.693 -18.155   9.526
    5    HG2  MET  21           HG2      MET  21  10.149 -18.154  11.516
    6    HG3  MET  21           HG3      MET  21  11.523 -17.774  10.481
    7    HE1  MET  21           HE3      MET  21  10.779 -14.433  12.478
    8    HE2  MET  21           HE1      MET  21  10.682 -16.104  13.037
    9    HE3  MET  21           HE2      MET  21  12.041 -15.586  12.041
   10    H    ALA  22           HN       ALA  22   8.735 -18.808   7.379
   11    HA   ALA  22           HA       ALA  22   7.635 -21.305   6.402
   12    HB1  ALA  22           HB3      ALA  22   5.312 -20.556   6.438
   13    HB2  ALA  22           HB1      ALA  22   5.966 -20.594   8.074
   14    HB3  ALA  22           HB2      ALA  22   5.793 -19.054   7.234
   15    H    GLU  23           HN       GLU  23   7.343 -17.779   6.150
   16    HA   GLU  23           HA       GLU  23   7.140 -17.900   3.264
   17    HB2  GLU  23           HB2      GLU  23   7.572 -15.341   4.757
   18    HB3  GLU  23           HB3      GLU  23   6.585 -15.640   3.335
   19    HG2  GLU  23           HG2      GLU  23   5.021 -15.228   4.984
   20    HG3  GLU  23           HG3      GLU  23   5.075 -16.987   4.926
   21    H    GLN  24           HN       GLN  24   9.551 -17.831   5.589
   22    HA   GLN  24           HA       GLN  24  11.805 -17.593   5.568
   23    HB2  GLN  24           HB2      GLN  24  11.804 -18.690   3.358
   24    HB3  GLN  24           HB3      GLN  24  11.520 -17.136   2.587
   25    HG2  GLN  24           HG2      GLN  24  13.842 -17.709   2.383
   26    HG3  GLN  24           HG3      GLN  24  13.677 -16.332   3.471
   27   HE21  GLN  24          HE21      GLN  24  15.674 -16.732   4.448
   28   HE22  GLN  24          HE22      GLN  24  15.930 -18.075   5.512
   29    H    SER  25           HN       SER  25  10.587 -15.279   3.148
   30    HA   SER  25           HA       SER  25  11.107 -13.074   4.953
   31    HG   SER  25           HG       SER  25  13.531 -13.286   1.678
   32    HB2  SER  25           HB2      SER  25  12.416 -11.873   3.111
   33    HB3  SER  25           HB3      SER  25  13.265 -13.160   3.966
   34    H    ASP  26           HN       ASP  26  10.669 -13.430   1.443
   35    HA   ASP  26           HA       ASP  26   8.003 -12.221   1.698
   36    HB2  ASP  26           HB2      ASP  26  10.184 -11.339  -0.200
   37    HB3  ASP  26           HB3      ASP  26   8.492 -10.920  -0.414
   38    H    GLU  27           HN       GLU  27   6.739 -12.471  -0.331
   39    HA   GLU  27           HA       GLU  27   7.728 -14.600  -2.100
   40    HB2  GLU  27           HB2      GLU  27   5.419 -15.465  -2.300
   41    HB3  GLU  27           HB3      GLU  27   6.063 -15.625  -0.674
   42    HG2  GLU  27           HG2      GLU  27   4.751 -13.729   0.070
   43    HG3  GLU  27           HG3      GLU  27   4.166 -13.462  -1.574
   44    H    ALA  28           HN       ALA  28   5.590 -11.854  -1.639
   45    HA   ALA  28           HA       ALA  28   5.961 -11.013  -4.396
   46    HB1  ALA  28           HB3      ALA  28   3.212 -11.492  -3.243
   47    HB2  ALA  28           HB1      ALA  28   3.586 -10.866  -4.850
   48    HB3  ALA  28           HB2      ALA  28   4.006 -12.526  -4.433
   49    H    VAL  29           HN       VAL  29   3.601  -9.268  -4.044
   50    HA   VAL  29           HA       VAL  29   4.524  -6.862  -3.235
   51    HB   VAL  29           HB       VAL  29   1.742  -7.821  -2.523
   52   HG11  VAL  29          HG11      VAL  29   1.108  -5.484  -2.903
   53   HG12  VAL  29          HG12      VAL  29   2.313  -5.629  -1.623
   54   HG13  VAL  29          HG13      VAL  29   2.791  -5.082  -3.232
   55   HG21  VAL  29          HG23      VAL  29   2.109  -8.429  -4.815
   56   HG22  VAL  29          HG21      VAL  29   1.087  -6.995  -4.779
   57   HG23  VAL  29          HG22      VAL  29   2.797  -6.844  -5.177
   58    H    LYS  30           HN       LYS  30   4.971  -5.800  -1.348
   59    HA   LYS  30           HA       LYS  30   5.255  -7.373   1.010
   60    HB2  LYS  30           HB2      LYS  30   5.673  -4.424   0.518
   61    HB3  LYS  30           HB3      LYS  30   5.895  -5.161   2.098
   62    HG2  LYS  30           HG2      LYS  30   8.040  -5.065   1.180
   63    HG3  LYS  30           HG3      LYS  30   7.534  -6.741   0.956
   64    HD2  LYS  30           HD2      LYS  30   6.779  -6.049  -1.368
   65    HD3  LYS  30           HD3      LYS  30   7.659  -4.542  -1.094
   66    HE2  LYS  30           HE2      LYS  30   9.110  -6.024  -2.272
   67    HE3  LYS  30           HE3      LYS  30   9.693  -5.912  -0.614
   68    HZ1  LYS  30           HZ3      LYS  30   8.029  -8.118  -1.701
   69    HZ2  LYS  30           HZ1      LYS  30   8.639  -8.020  -0.117
   70    HZ3  LYS  30           HZ2      LYS  30   9.698  -8.186  -1.434
   71    H    TYR  31           HN       TYR  31   4.162  -7.177   2.989
   72    HA   TYR  31           HA       TYR  31   1.461  -6.020   2.688
   73    HD1  TYR  31           HD2      TYR  31   0.014  -7.616   1.363
   74    HD2  TYR  31           HD1      TYR  31   2.901 -10.263   3.005
   75    HE1  TYR  31           HE2      TYR  31  -0.137  -9.016  -0.654
   76    HE2  TYR  31           HE1      TYR  31   2.771 -11.675   1.001
   77    HH   TYR  31           HH       TYR  31   1.056 -10.660  -1.856
   78    HB2  TYR  31           HB2      TYR  31   2.181  -8.490   4.277
   79    HB3  TYR  31           HB3      TYR  31   0.570  -7.857   3.962
   80    H    TYR  32           HN       TYR  32   0.498  -5.152   4.523
   81    HA   TYR  32           HA       TYR  32   2.091  -5.135   6.993
   82    HD1  TYR  32           HD1      TYR  32   3.249  -2.635   8.060
   83    HD2  TYR  32           HD2      TYR  32   1.858  -2.376   4.046
   84    HE1  TYR  32           HE1      TYR  32   5.367  -1.578   7.403
   85    HE2  TYR  32           HE2      TYR  32   3.977  -1.318   3.376
   86    HH   TYR  32           HH       TYR  32   6.732  -1.335   5.295
   87    HB2  TYR  32           HB2      TYR  32   0.330  -2.953   5.854
   88    HB3  TYR  32           HB3      TYR  32   0.881  -2.957   7.523
   89    H    THR  33           HN       THR  33   0.001  -4.218   8.688
   90    HA   THR  33           HA       THR  33  -2.129  -6.210   8.226
   91    HB   THR  33           HB       THR  33  -2.378  -6.274  10.734
   92    HG1  THR  33           HG1      THR  33   0.233  -5.122  10.714
   93   HG21  THR  33          HG23      THR  33   0.261  -7.221   9.612
   94   HG22  THR  33          HG21      THR  33  -1.264  -8.103   9.566
   95   HG23  THR  33          HG22      THR  33  -0.473  -7.792  11.112
   96    H    LEU  34           HN       LEU  34  -4.254  -5.652   9.064
   97    HA   LEU  34           HA       LEU  34  -5.191  -3.082   8.756
   98    HG   LEU  34           HG       LEU  34  -7.084  -3.043  11.303
   99    HB2  LEU  34           HB2      LEU  34  -6.693  -4.957   9.016
  100    HB3  LEU  34           HB3      LEU  34  -6.128  -5.260  10.645
  101   HD11  LEU  34          HD11      LEU  34  -8.325  -3.146   8.563
  102   HD12  LEU  34          HD12      LEU  34  -8.742  -2.005   9.840
  103   HD13  LEU  34          HD13      LEU  34  -7.133  -1.971   9.120
  104   HD21  LEU  34          HD23      LEU  34  -9.037  -5.017  10.152
  105   HD22  LEU  34          HD21      LEU  34  -8.261  -5.140  11.730
  106   HD23  LEU  34          HD22      LEU  34  -9.383  -3.819  11.397
  107    H    GLU  35           HN       GLU  35  -3.794  -4.652  11.502
  108    HA   GLU  35           HA       GLU  35  -4.425  -2.960  13.602
  109    HB2  GLU  35           HB2      GLU  35  -1.984  -4.705  13.238
  110    HB3  GLU  35           HB3      GLU  35  -2.584  -4.095  14.773
  111    HG2  GLU  35           HG2      GLU  35  -4.527  -5.441  14.648
  112    HG3  GLU  35           HG3      GLU  35  -4.204  -5.867  12.968
  113    H    GLU  36           HN       GLU  36  -1.580  -2.989  11.519
  114    HA   GLU  36           HA       GLU  36  -0.429  -0.748  12.969
  115    HB2  GLU  36           HB2      GLU  36   1.540  -1.134  11.619
  116    HB3  GLU  36           HB3      GLU  36   0.986  -2.633  12.346
  117    HG2  GLU  36           HG2      GLU  36  -0.165  -3.093  10.114
  118    HG3  GLU  36           HG3      GLU  36   0.820  -1.770   9.479
  119    H    ILE  37           HN       ILE  37  -2.211  -1.383  10.132
  120    HA   ILE  37           HA       ILE  37  -1.715   1.249   9.020
  121    HB   ILE  37           HB       ILE  37  -3.627  -0.946   8.139
  122   HG12  ILE  37          HG12      ILE  37  -1.016   0.028   6.960
  123   HG13  ILE  37          HG13      ILE  37  -1.203  -1.437   7.916
  124   HG21  ILE  37          HG21      ILE  37  -2.898   1.597   6.676
  125   HG22  ILE  37          HG22      ILE  37  -3.945   0.307   6.083
  126   HG23  ILE  37          HG23      ILE  37  -4.446   1.284   7.462
  127   HD11  ILE  37          HD13      ILE  37  -2.677  -2.359   6.212
  128   HD12  ILE  37          HD11      ILE  37  -2.513  -0.881   5.264
  129   HD13  ILE  37          HD12      ILE  37  -1.110  -1.915   5.536
  130    H    GLN  38           HN       GLN  38  -2.895   0.622  11.726
  131    HA   GLN  38           HA       GLN  38  -5.007   2.654  11.486
  132    HB2  GLN  38           HB2      GLN  38  -4.880   0.189  13.081
  133    HB3  GLN  38           HB3      GLN  38  -5.441   1.611  13.958
  134    HG2  GLN  38           HG2      GLN  38  -6.579   0.669  11.337
  135    HG3  GLN  38           HG3      GLN  38  -7.262   0.289  12.917
  136   HE21  GLN  38          HE21      GLN  38  -6.515   2.897  10.671
  137   HE22  GLN  38          HE22      GLN  38  -7.677   4.013  11.295
  138    H    LYS  39           HN       LYS  39  -2.119   1.611  13.135
  139    HA   LYS  39           HA       LYS  39  -2.371   3.507  15.293
  140    HB2  LYS  39           HB2      LYS  39  -0.265   2.549  16.096
  141    HB3  LYS  39           HB3      LYS  39  -1.405   1.276  15.689
  142    HG2  LYS  39           HG2      LYS  39  -0.226   0.942  13.553
  143    HG3  LYS  39           HG3      LYS  39   0.936   2.185  14.023
  144    HD2  LYS  39           HD2      LYS  39   1.876   0.024  14.511
  145    HD3  LYS  39           HD3      LYS  39   1.502   0.845  16.025
  146    HE2  LYS  39           HE2      LYS  39  -0.597  -0.446  16.186
  147    HE3  LYS  39           HE3      LYS  39  -0.169  -1.296  14.706
  148    HZ1  LYS  39           HZ3      LYS  39   1.114  -1.460  17.357
  149    HZ2  LYS  39           HZ1      LYS  39   1.950  -1.935  15.960
  150    HZ3  LYS  39           HZ2      LYS  39   0.509  -2.711  16.398
  151    H    HIS  40           HN       HIS  40  -1.654   3.941  12.213
  152    HA   HIS  40           HA       HIS  40   0.687   5.671  12.540
  153    HD1  HIS  40           HD1      HIS  40  -0.781   2.753   9.178
  154    HD2  HIS  40           HD2      HIS  40  -2.150   6.635   9.632
  155    HE1  HIS  40           HE1      HIS  40  -2.850   2.910   7.750
  156    HE2  HIS  40           HE2      HIS  40  -3.560   5.322   7.906
  157    HB2  HIS  40           HB2      HIS  40   0.747   5.740  10.083
  158    HB3  HIS  40           HB3      HIS  40   0.671   4.072  10.630
  159    H    ASN  41           HN       ASN  41  -2.406   5.981  13.104
  160    HA   ASN  41           HA       ASN  41  -3.231   8.138  11.376
  161    HB2  ASN  41           HB2      ASN  41  -5.329   8.001  12.562
  162    HB3  ASN  41           HB3      ASN  41  -4.765   6.374  12.202
  163   HD21  ASN  41          HD21      ASN  41  -6.649   7.260  14.240
  164   HD22  ASN  41          HD22      ASN  41  -6.009   6.731  15.754
  165    H    HIS  42           HN       HIS  42  -0.989   9.014  12.645
  166    HA   HIS  42           HA       HIS  42  -1.914  10.864  14.706
  167    HD1  HIS  42           HD1      HIS  42   1.345   9.447  13.264
  168    HD2  HIS  42           HD2      HIS  42   0.827   7.082  16.648
  169    HE1  HIS  42           HE1      HIS  42   3.099   7.645  13.111
  170    HE2  HIS  42           HE2      HIS  42   2.760   6.213  15.158
  171    HB2  HIS  42           HB2      HIS  42   0.001  10.258  16.178
  172    HB3  HIS  42           HB3      HIS  42  -1.172   8.961  16.001
  173    H    SER  43           HN       SER  43  -0.177  12.416  15.316
  174    HA   SER  43           HA       SER  43   0.502  14.100  13.348
  175    HG   SER  43           HG       SER  43   2.274  16.043  15.345
  176    HB2  SER  43           HB2      SER  43   0.785  14.606  15.732
  177    HB3  SER  43           HB3      SER  43   2.171  13.526  15.816
  178    H    LYS  44           HN       LYS  44   2.582  11.462  14.435
  179    HA   LYS  44           HA       LYS  44   4.890  12.249  13.020
  180    HB2  LYS  44           HB2      LYS  44   4.069   9.727  14.425
  181    HB3  LYS  44           HB3      LYS  44   5.579   9.805  13.531
  182    HG2  LYS  44           HG2      LYS  44   6.276  10.312  15.641
  183    HG3  LYS  44           HG3      LYS  44   6.001  11.924  14.978
  184    HD2  LYS  44           HD2      LYS  44   3.820  12.010  16.073
  185    HD3  LYS  44           HD3      LYS  44   4.054  10.374  16.694
  186    HE2  LYS  44           HE2      LYS  44   6.154  11.254  17.807
  187    HE3  LYS  44           HE3      LYS  44   5.578  12.869  17.404
  188    HZ1  LYS  44           HZ3      LYS  44   3.517  12.318  18.664
  189    HZ2  LYS  44           HZ1      LYS  44   4.922  12.368  19.619
  190    HZ3  LYS  44           HZ2      LYS  44   4.259  10.881  19.167
  191    H    SER  45           HN       SER  45   2.081  10.809  11.762
  192    HA   SER  45           HA       SER  45   3.447  10.183   9.311
  193    HG   SER  45           HG       SER  45   4.683   8.770  10.608
  194    HB2  SER  45           HB2      SER  45   2.121   7.945  10.850
  195    HB3  SER  45           HB3      SER  45   2.661   7.836   9.177
  196    H    THR  46           HN       THR  46   1.903   9.347   7.635
  197    HA   THR  46           HA       THR  46  -0.906   9.514   8.261
  198    HB   THR  46           HB       THR  46   0.239  11.311   6.101
  199    HG1  THR  46           HG1      THR  46  -0.144  11.718   8.737
  200   HG21  THR  46          HG23      THR  46  -1.907  10.465   5.442
  201   HG22  THR  46          HG21      THR  46  -2.130  12.130   5.980
  202   HG23  THR  46          HG22      THR  46  -2.585  10.787   7.038
  203    H    TRP  47           HN       TRP  47  -1.136   7.382   7.632
  204    HA   TRP  47           HA       TRP  47  -0.501   6.761   4.824
  205    HD1  TRP  47           HD1      TRP  47   1.757   6.869   5.605
  206    HE1  TRP  47           HE1      TRP  47   4.051   5.854   6.226
  207    HE3  TRP  47           HE3      TRP  47   0.192   2.356   7.396
  208    HZ2  TRP  47           HZ2      TRP  47   5.048   3.446   7.312
  209    HZ3  TRP  47           HZ3      TRP  47   1.868   0.752   8.193
  210    HH2  TRP  47           HH2      TRP  47   4.241   1.279   8.152
  211    HB2  TRP  47           HB2      TRP  47  -0.943   4.873   7.147
  212    HB3  TRP  47           HB3      TRP  47  -0.808   4.358   5.472
  213    H    LEU  48           HN       LEU  48  -2.108   5.382   3.690
  214    HA   LEU  48           HA       LEU  48  -4.747   5.219   4.870
  215    HG   LEU  48           HG       LEU  48  -3.926   6.151   1.390
  216    HB2  LEU  48           HB2      LEU  48  -5.905   6.412   3.110
  217    HB3  LEU  48           HB3      LEU  48  -4.788   7.483   3.931
  218   HD11  LEU  48          HD11      LEU  48  -4.819   8.054   0.124
  219   HD12  LEU  48          HD12      LEU  48  -6.102   7.092   0.860
  220   HD13  LEU  48          HD13      LEU  48  -5.627   8.631   1.580
  221   HD21  LEU  48          HD23      LEU  48  -2.310   7.429   2.758
  222   HD22  LEU  48          HD21      LEU  48  -2.567   8.143   1.167
  223   HD23  LEU  48          HD22      LEU  48  -3.331   8.859   2.586
  224    H    ILE  49           HN       ILE  49  -6.276   4.434   2.932
  225    HA   ILE  49           HA       ILE  49  -4.808   2.632   1.125
  226    HB   ILE  49           HB       ILE  49  -7.400   1.884   2.520
  227   HG12  ILE  49          HG12      ILE  49  -4.646   0.812   3.154
  228   HG13  ILE  49          HG13      ILE  49  -5.466   2.038   4.115
  229   HG21  ILE  49          HG21      ILE  49  -7.050   0.806   0.364
  230   HG22  ILE  49          HG22      ILE  49  -5.466   0.240   0.898
  231   HG23  ILE  49          HG23      ILE  49  -6.923  -0.361   1.683
  232   HD11  ILE  49          HD13      ILE  49  -6.422  -0.774   3.636
  233   HD12  ILE  49          HD11      ILE  49  -5.691  -0.156   5.116
  234   HD13  ILE  49          HD12      ILE  49  -7.261   0.449   4.592
  235    H    LEU  50           HN       LEU  50  -6.026   2.266  -0.886
  236    HA   LEU  50           HA       LEU  50  -8.213   4.186  -1.253
  237    HG   LEU  50           HG       LEU  50  -5.687   5.662  -1.811
  238    HB2  LEU  50           HB2      LEU  50  -5.885   3.598  -3.013
  239    HB3  LEU  50           HB3      LEU  50  -7.402   4.100  -3.738
  240   HD11  LEU  50          HD11      LEU  50  -5.660   7.295  -3.645
  241   HD12  LEU  50          HD12      LEU  50  -4.991   5.742  -4.148
  242   HD13  LEU  50          HD13      LEU  50  -6.625   6.197  -4.630
  243   HD21  LEU  50          HD23      LEU  50  -8.011   5.950  -1.145
  244   HD22  LEU  50          HD21      LEU  50  -7.429   7.412  -1.944
  245   HD23  LEU  50          HD22      LEU  50  -8.467   6.286  -2.817
  246    H    HIS  51           HN       HIS  51  -6.963   1.054  -2.059
  247    HA   HIS  51           HA       HIS  51  -9.614   0.231  -2.990
  248    HD1  HIS  51           HD1      HIS  51  -9.005  -0.425  -7.165
  249    HD2  HIS  51           HD2      HIS  51  -9.178   2.712  -4.448
  250    HE1  HIS  51           HE1      HIS  51 -10.108   1.477  -8.387
  251    HE2  HIS  51           HE2      HIS  51 -10.507   3.214  -6.605
  252    HB2  HIS  51           HB2      HIS  51  -7.073   0.085  -4.593
  253    HB3  HIS  51           HB3      HIS  51  -8.328  -1.119  -4.836
  254    H    HIS  52           HN       HIS  52  -6.321  -0.832  -2.290
  255    HA   HIS  52           HA       HIS  52  -7.058  -2.500  -0.186
  256    HD1  HIS  52           HD1      HIS  52  -4.797  -5.363  -3.087
  257    HD2  HIS  52           HD2      HIS  52  -7.955  -2.917  -4.196
  258    HE1  HIS  52           HE1      HIS  52  -4.792  -5.360  -5.609
  259    HE2  HIS  52           HE2      HIS  52  -6.910  -4.138  -6.230
  260    HB2  HIS  52           HB2      HIS  52  -6.297  -4.704  -1.186
  261    HB3  HIS  52           HB3      HIS  52  -7.904  -4.148  -1.627
  262    H    LYS  53           HN       LYS  53  -5.073  -0.618  -1.631
  263    HA   LYS  53           HA       LYS  53  -2.595  -1.922  -0.738
  264    HB2  LYS  53           HB2      LYS  53  -2.901   0.274  -2.813
  265    HB3  LYS  53           HB3      LYS  53  -1.392  -0.478  -2.320
  266    HG2  LYS  53           HG2      LYS  53  -2.002  -2.544  -3.314
  267    HG3  LYS  53           HG3      LYS  53  -3.649  -1.975  -3.619
  268    HD2  LYS  53           HD2      LYS  53  -2.813  -0.319  -5.165
  269    HD3  LYS  53           HD3      LYS  53  -1.149  -0.783  -4.811
  270    HE2  LYS  53           HE2      LYS  53  -3.237  -2.577  -6.022
  271    HE3  LYS  53           HE3      LYS  53  -1.995  -1.717  -6.929
  272    HZ1  LYS  53           HZ3      LYS  53  -1.227  -3.912  -6.615
  273    HZ2  LYS  53           HZ1      LYS  53  -1.607  -3.915  -4.958
  274    HZ3  LYS  53           HZ2      LYS  53  -0.333  -2.953  -5.546
  275    H    VAL  54           HN       VAL  54  -1.329  -0.787   0.726
  276    HA   VAL  54           HA       VAL  54  -2.586   1.521   1.960
  277    HB   VAL  54           HB       VAL  54  -1.649  -0.146   3.446
  278   HG11  VAL  54          HG11      VAL  54   1.002   0.419   2.123
  279   HG12  VAL  54          HG12      VAL  54   0.775  -0.562   3.572
  280   HG13  VAL  54          HG13      VAL  54   0.078  -1.081   2.036
  281   HG21  VAL  54          HG23      VAL  54  -1.602   2.171   4.187
  282   HG22  VAL  54          HG21      VAL  54  -0.220   1.284   4.831
  283   HG23  VAL  54          HG22      VAL  54  -0.007   2.384   3.468
  284    H    TYR  55           HN       TYR  55  -1.977   3.579   1.691
  285    HA   TYR  55           HA       TYR  55   0.396   4.120   0.023
  286    HD1  TYR  55           HD2      TYR  55  -3.071   3.363  -0.492
  287    HD2  TYR  55           HD1      TYR  55  -0.730   6.029  -2.837
  288    HE1  TYR  55           HE2      TYR  55  -3.974   2.346  -2.536
  289    HE2  TYR  55           HE1      TYR  55  -1.635   5.023  -4.888
  290    HH   TYR  55           HH       TYR  55  -2.710   3.095  -5.676
  291    HB2  TYR  55           HB2      TYR  55  -2.142   5.741   0.323
  292    HB3  TYR  55           HB3      TYR  55  -0.723   6.281  -0.559
  293    H    ASP  56           HN       ASP  56   1.433   6.238   0.500
  294    HA   ASP  56           HA       ASP  56   0.921   7.165   3.240
  295    HB2  ASP  56           HB2      ASP  56   3.051   6.933   3.940
  296    HB3  ASP  56           HB3      ASP  56   3.190   5.768   2.632
  297    H    LEU  57           HN       LEU  57   1.204   9.401   3.582
  298    HA   LEU  57           HA       LEU  57   2.100  10.976   1.263
  299    HG   LEU  57           HG       LEU  57  -0.999  10.025   1.702
  300    HB2  LEU  57           HB2      LEU  57  -0.112  11.909   3.084
  301    HB3  LEU  57           HB3      LEU  57   0.453  12.671   1.622
  302   HD11  LEU  57          HD11      LEU  57  -1.988  12.807   1.109
  303   HD12  LEU  57          HD12      LEU  57  -2.885  11.333   0.748
  304   HD13  LEU  57          HD13      LEU  57  -2.502  11.746   2.420
  305   HD21  LEU  57          HD23      LEU  57   0.476  10.283  -0.240
  306   HD22  LEU  57          HD21      LEU  57  -1.222  10.358  -0.715
  307   HD23  LEU  57          HD22      LEU  57  -0.271  11.839  -0.603
  308    H    THR  58           HN       THR  58   3.507  10.038   3.613
  309    HA   THR  58           HA       THR  58   3.353  11.681   5.840
  310    HB   THR  58           HB       THR  58   5.689  10.904   6.360
  311    HG1  THR  58           HG1      THR  58   5.374   9.423   3.923
  312   HG21  THR  58          HG23      THR  58   3.669   8.804   5.537
  313   HG22  THR  58          HG21      THR  58   3.733   9.641   7.087
  314   HG23  THR  58          HG22      THR  58   5.034   8.546   6.627
  315    H    LYS  59           HN       LYS  59   5.385  12.123   2.963
  316    HA   LYS  59           HA       LYS  59   6.168  14.747   4.013
  317    HB2  LYS  59           HB2      LYS  59   7.312  12.900   1.988
  318    HB3  LYS  59           HB3      LYS  59   7.550  14.626   1.735
  319    HG2  LYS  59           HG2      LYS  59   8.336  13.073   4.195
  320    HG3  LYS  59           HG3      LYS  59   9.429  13.633   2.928
  321    HD2  LYS  59           HD2      LYS  59   7.721  15.416   4.668
  322    HD3  LYS  59           HD3      LYS  59   9.440  15.106   4.916
  323    HE2  LYS  59           HE2      LYS  59   9.920  16.086   2.715
  324    HE3  LYS  59           HE3      LYS  59   8.202  16.402   2.483
  325    HZ1  LYS  59           HZ3      LYS  59   9.520  18.340   3.277
  326    HZ2  LYS  59           HZ1      LYS  59   9.782  17.525   4.737
  327    HZ3  LYS  59           HZ2      LYS  59   8.205  17.950   4.274
  328    H    PHE  60           HN       PHE  60   4.029  13.225   1.923
  329    HA   PHE  60           HA       PHE  60   3.969  15.142  -0.182
  330    HD1  PHE  60           HD2      PHE  60   3.999  14.419  -2.370
  331    HD2  PHE  60           HD1      PHE  60   0.112  13.284  -1.061
  332    HE1  PHE  60           HE2      PHE  60   3.082  15.014  -4.575
  333    HE2  PHE  60           HE1      PHE  60  -0.810  13.873  -3.266
  334    HZ   PHE  60           HZ       PHE  60   0.693  14.733  -5.035
  335    HB2  PHE  60           HB2      PHE  60   3.418  12.675  -0.344
  336    HB3  PHE  60           HB3      PHE  60   1.871  13.067   0.398
  337    H    LEU  61           HN       LEU  61   2.671  14.995   2.852
  338    HA   LEU  61           HA       LEU  61   0.139  16.054   2.797
  339    HG   LEU  61           HG       LEU  61   1.853  14.185   4.635
  340    HB2  LEU  61           HB2      LEU  61   2.365  16.596   4.764
  341    HB3  LEU  61           HB3      LEU  61   0.672  16.935   5.053
  342   HD11  LEU  61          HD11      LEU  61   0.891  15.580   7.130
  343   HD12  LEU  61          HD12      LEU  61   1.323  13.873   7.026
  344   HD13  LEU  61          HD13      LEU  61   2.549  15.114   6.757
  345   HD21  LEU  61          HD23      LEU  61  -0.364  13.406   5.356
  346   HD22  LEU  61          HD21      LEU  61  -0.935  15.073   5.370
  347   HD23  LEU  61          HD22      LEU  61  -0.444  14.328   3.849
  348    H    GLU  62           HN       GLU  62   3.184  17.625   2.310
  349    HA   GLU  62           HA       GLU  62   2.172  20.311   2.694
  350    HB2  GLU  62           HB2      GLU  62   4.873  19.394   1.706
  351    HB3  GLU  62           HB3      GLU  62   4.473  20.982   2.344
  352    HG2  GLU  62           HG2      GLU  62   4.078  20.003   4.541
  353    HG3  GLU  62           HG3      GLU  62   4.446  18.404   3.890
  354    H    GLU  63           HN       GLU  63   2.344  18.067   0.197
  355    HA   GLU  63           HA       GLU  63   2.796  20.101  -1.891
  356    HB2  GLU  63           HB2      GLU  63   4.347  18.002  -1.464
  357    HB3  GLU  63           HB3      GLU  63   3.107  17.168  -2.391
  358    HG2  GLU  63           HG2      GLU  63   3.426  18.739  -4.227
  359    HG3  GLU  63           HG3      GLU  63   4.680  19.560  -3.301
  360    H    HIS  64           HN       HIS  64   0.633  17.753  -0.645
  361    HA   HIS  64           HA       HIS  64  -0.935  17.297  -2.916
  362    HD1  HIS  64           HD1      HIS  64  -4.075  16.708   0.378
  363    HD2  HIS  64           HD2      HIS  64  -2.778  14.991  -3.233
  364    HE1  HIS  64           HE1      HIS  64  -6.071  15.460  -0.604
  365    HB2  HIS  64           HB3      HIS  64  -0.898  15.829  -0.943
  366    HB3  HIS  64           HB2      HIS  64  -1.652  17.059   0.025
  367    HA   PRO  65           HA       PRO  65  -2.395  21.405  -3.242
  368    HB2  PRO  65           HB2      PRO  65  -4.386  21.075  -5.064
  369    HB3  PRO  65           HB3      PRO  65  -2.670  20.971  -5.472
  370    HG2  PRO  65           HG2      PRO  65  -4.631  18.776  -4.928
  371    HG3  PRO  65           HG3      PRO  65  -3.406  18.887  -6.205
  372    HD2  PRO  65           HD2      PRO  65  -3.032  17.427  -3.975
  373    HD3  PRO  65           HD3      PRO  65  -1.694  18.266  -4.787
  374    H    GLY  66           HN       GLY  66  -4.664  18.966  -2.223
  375    HA2  GLY  66           HA1      GLY  66  -6.297  21.077  -1.012
  376    HA3  GLY  66           HA2      GLY  66  -7.093  19.932  -2.079
  377    H    GLY  67           HN       GLY  67  -4.934  19.968   0.752
  378    HA2  GLY  67           HA1      GLY  67  -6.536  18.754   2.568
  379    HA3  GLY  67           HA2      GLY  67  -5.912  17.403   1.630
  380    H    GLU  68           HN       GLU  68  -5.254  19.715   4.065
  381    HA   GLU  68           HA       GLU  68  -2.610  18.460   4.412
  382    HB2  GLU  68           HB2      GLU  68  -2.700  20.996   4.113
  383    HB3  GLU  68           HB3      GLU  68  -3.494  21.055   5.683
  384    HG2  GLU  68           HG2      GLU  68  -1.571  20.101   6.758
  385    HG3  GLU  68           HG3      GLU  68  -0.781  19.835   5.206
  386    H    GLU  69           HN       GLU  69  -5.029  20.085   6.442
  387    HA   GLU  69           HA       GLU  69  -4.535  18.412   8.706
  388    HB2  GLU  69           HB2      GLU  69  -6.982  20.126   8.252
  389    HB3  GLU  69           HB3      GLU  69  -6.287  19.635   9.786
  390    HG2  GLU  69           HG2      GLU  69  -5.552  21.769   9.722
  391    HG3  GLU  69           HG3      GLU  69  -4.217  20.997   8.869
  392    H    VAL  70           HN       VAL  70  -6.913  18.519   6.150
  393    HA   VAL  70           HA       VAL  70  -8.842  16.877   7.417
  394    HB   VAL  70           HB       VAL  70 -10.010  16.857   5.287
  395   HG11  VAL  70          HG11      VAL  70 -10.325  19.269   5.013
  396   HG12  VAL  70          HG12      VAL  70 -10.241  18.812   6.714
  397   HG13  VAL  70          HG13      VAL  70  -8.849  19.562   5.935
  398   HG21  VAL  70          HG23      VAL  70  -8.091  16.582   3.794
  399   HG22  VAL  70          HG21      VAL  70  -9.097  17.947   3.305
  400   HG23  VAL  70          HG22      VAL  70  -7.574  18.226   4.150
  401    H    LEU  71           HN       LEU  71  -5.948  16.099   5.853
  402    HA   LEU  71           HA       LEU  71  -6.692  13.572   4.798
  403    HG   LEU  71           HG       LEU  71  -4.943  15.782   3.580
  404    HB2  LEU  71           HB2      LEU  71  -4.018  14.738   5.590
  405    HB3  LEU  71           HB3      LEU  71  -4.188  13.148   4.862
  406   HD11  LEU  71          HD11      LEU  71  -2.748  13.809   2.972
  407   HD12  LEU  71          HD12      LEU  71  -3.148  15.227   2.004
  408   HD13  LEU  71          HD13      LEU  71  -2.547  15.422   3.653
  409   HD21  LEU  71          HD23      LEU  71  -5.447  14.447   1.599
  410   HD22  LEU  71          HD21      LEU  71  -5.123  12.971   2.509
  411   HD23  LEU  71          HD22      LEU  71  -6.484  14.001   2.954
  412    H    ARG  72           HN       ARG  72  -5.778  14.798   7.867
  413    HA   ARG  72           HA       ARG  72  -4.652  12.644   9.176
  414    HE   ARG  72           HE       ARG  72  -5.844  15.218  12.382
  415    HB2  ARG  72           HB2      ARG  72  -6.171  15.055  10.052
  416    HB3  ARG  72           HB3      ARG  72  -5.757  13.832  11.243
  417    HG2  ARG  72           HG2      ARG  72  -3.405  14.108  10.739
  418    HG3  ARG  72           HG3      ARG  72  -3.799  15.286   9.483
  419    HD2  ARG  72           HD2      ARG  72  -3.109  16.122  11.855
  420    HD3  ARG  72           HD3      ARG  72  -4.435  16.903  10.996
  421   HH11  ARG  72          HH12      ARG  72  -2.982  16.902  13.503
  422   HH12  ARG  72          HH11      ARG  72  -3.525  16.972  15.149
  423   HH21  ARG  72          HH22      ARG  72  -6.553  15.332  14.537
  424   HH22  ARG  72          HH21      ARG  72  -5.540  16.075  15.739
  425    H    GLU  73           HN       GLU  73  -8.042  13.478   8.813
  426    HA   GLU  73           HA       GLU  73  -8.943  11.563  10.749
  427    HB2  GLU  73           HB2      GLU  73 -10.067  13.750  10.223
  428    HB3  GLU  73           HB3      GLU  73 -10.582  13.055   8.690
  429    HG2  GLU  73           HG2      GLU  73 -11.852  11.352   9.868
  430    HG3  GLU  73           HG3      GLU  73 -11.287  11.976  11.416
  431    H    GLN  74           HN       GLN  74  -8.157  11.518   7.468
  432    HA   GLN  74           HA       GLN  74  -9.623   9.022   6.958
  433    HB2  GLN  74           HB2      GLN  74  -8.137  10.822   5.023
  434    HB3  GLN  74           HB3      GLN  74  -9.166   9.458   4.602
  435    HG2  GLN  74           HG2      GLN  74 -10.074  12.013   5.911
  436    HG3  GLN  74           HG3      GLN  74 -10.276  11.586   4.211
  437   HE21  GLN  74          HE21      GLN  74 -12.226  12.171   6.329
  438   HE22  GLN  74          HE22      GLN  74 -13.290  10.814   6.368
  439    H    ALA  75           HN       ALA  75  -6.752  10.144   8.061
  440    HA   ALA  75           HA       ALA  75  -4.875   8.509   6.652
  441    HB1  ALA  75           HB3      ALA  75  -4.585   9.997   9.258
  442    HB2  ALA  75           HB1      ALA  75  -3.270   9.325   8.291
  443    HB3  ALA  75           HB2      ALA  75  -4.243  10.653   7.655
  444    H    GLY  76           HN       GLY  76  -6.099   6.523   6.968
  445    HA2  GLY  76           HA1      GLY  76  -5.172   5.019   9.245
  446    HA3  GLY  76           HA2      GLY  76  -6.903   5.331   9.271
  447    H    GLY  77           HN       GLY  77  -8.213   4.476   7.636
  448    HA2  GLY  77           HA1      GLY  77  -6.993   2.097   6.420
  449    HA3  GLY  77           HA2      GLY  77  -8.706   2.275   6.809
  450    H    ASP  78           HN       ASP  78  -9.651   2.064   4.843
  451    HA   ASP  78           HA       ASP  78  -8.425   3.183   2.520
  452    HB2  ASP  78           HB2      ASP  78  -9.938   1.071   2.675
  453    HB3  ASP  78           HB3      ASP  78 -11.264   2.221   2.549
  454    H    ALA  79           HN       ALA  79  -9.185   4.860   1.225
  455    HA   ALA  79           HA       ALA  79 -10.910   6.761   2.669
  456    HB1  ALA  79           HB3      ALA  79  -8.641   7.398   0.790
  457    HB2  ALA  79           HB1      ALA  79  -9.648   8.566   1.646
  458    HB3  ALA  79           HB2      ALA  79  -8.580   7.497   2.553
  459    H    THR  80           HN       THR  80 -11.102   4.677   0.222
  460    HA   THR  80           HA       THR  80 -11.626   6.179  -2.073
  461    HB   THR  80           HB       THR  80 -11.168   3.748  -2.076
  462    HG1  THR  80           HG1      THR  80 -13.502   4.712  -3.394
  463   HG21  THR  80          HG23      THR  80 -14.080   3.465  -1.282
  464   HG22  THR  80          HG21      THR  80 -12.700   3.068  -0.252
  465   HG23  THR  80          HG22      THR  80 -12.984   2.159  -1.734
  466    H    GLU  81           HN       GLU  81 -13.643   5.721   0.683
  467    HA   GLU  81           HA       GLU  81 -16.178   6.143  -0.388
  468    HB2  GLU  81           HB2      GLU  81 -14.925   6.952   2.226
  469    HB3  GLU  81           HB3      GLU  81 -16.583   7.403   1.845
  470    HG2  GLU  81           HG2      GLU  81 -15.518   4.589   1.915
  471    HG3  GLU  81           HG3      GLU  81 -16.433   5.368   3.204
  472    H    ASN  82           HN       ASN  82 -13.848   8.556   0.752
  473    HA   ASN  82           HA       ASN  82 -15.404  10.765  -0.260
  474    HB2  ASN  82           HB2      ASN  82 -13.937  10.798   1.838
  475    HB3  ASN  82           HB3      ASN  82 -12.555  10.857   0.751
  476   HD21  ASN  82          HD21      ASN  82 -12.134  12.739  -0.404
  477   HD22  ASN  82          HD22      ASN  82 -12.926  14.233  -0.061
  478    H    PHE  83           HN       PHE  83 -12.895   8.715  -1.296
  479    HA   PHE  83           HA       PHE  83 -11.614  10.270  -3.267
  480    HD1  PHE  83           HD1      PHE  83  -8.942   9.272  -3.658
  481    HD2  PHE  83           HD2      PHE  83 -11.803   6.592  -5.306
  482    HE1  PHE  83           HE1      PHE  83  -7.513   8.972  -5.635
  483    HE2  PHE  83           HE2      PHE  83 -10.377   6.282  -7.286
  484    HZ   PHE  83           HZ       PHE  83  -8.208   7.437  -7.432
  485    HB2  PHE  83           HB2      PHE  83 -10.699   8.205  -2.281
  486    HB3  PHE  83           HB3      PHE  83 -11.976   7.276  -3.053
  487    H    GLU  84           HN       GLU  84 -14.589   8.560  -3.178
  488    HA   GLU  84           HA       GLU  84 -15.004   8.319  -6.011
  489    HB2  GLU  84           HB2      GLU  84 -16.792   7.972  -3.601
  490    HB3  GLU  84           HB3      GLU  84 -17.353   7.717  -5.244
  491    HG2  GLU  84           HG2      GLU  84 -15.036   6.254  -4.025
  492    HG3  GLU  84           HG3      GLU  84 -16.693   5.654  -3.999
  493    H    ASP  85           HN       ASP  85 -15.429  10.700  -3.620
  494    HA   ASP  85           HA       ASP  85 -17.541  12.168  -4.967
  495    HB2  ASP  85           HB2      ASP  85 -17.482  12.064  -2.509
  496    HB3  ASP  85           HB3      ASP  85 -15.899  12.828  -2.505
  497    H    VAL  86           HN       VAL  86 -14.097  12.399  -4.373
  498    HA   VAL  86           HA       VAL  86 -13.949  14.697  -6.196
  499    HB   VAL  86           HB       VAL  86 -11.696  13.676  -4.471
  500   HG11  VAL  86          HG11      VAL  86 -10.776  15.906  -4.801
  501   HG12  VAL  86          HG12      VAL  86 -11.076  15.112  -6.346
  502   HG13  VAL  86          HG13      VAL  86 -12.183  16.359  -5.765
  503   HG21  VAL  86          HG23      VAL  86 -13.723  15.796  -3.763
  504   HG22  VAL  86          HG21      VAL  86 -13.499  14.241  -2.964
  505   HG23  VAL  86          HG22      VAL  86 -12.234  15.463  -2.869
  506    H    GLY  87           HN       GLY  87 -13.705  14.029  -8.191
  507    HA2  GLY  87           HA1      GLY  87 -13.385  11.438  -9.005
  508    HA3  GLY  87           HA2      GLY  87 -13.131  12.827 -10.036
  509    H    HIS  88           HN       HIS  88 -10.754  13.788  -8.605
  510    HA   HIS  88           HA       HIS  88  -8.508  13.669  -8.906
  511    HD1  HIS  88           HD1      HIS  88  -9.829  11.111  -5.864
  512    HD2  HIS  88           HD2      HIS  88  -6.297  13.084  -6.873
  513    HE1  HIS  88           HE1      HIS  88  -8.831  11.972  -3.680
  514    HB2  HIS  88           HB2      HIS  88  -9.129  10.785  -8.302
  515    HB3  HIS  88           HB3      HIS  88  -7.494  11.264  -8.728
  516    H    SER  89           HN       SER  89  -8.013  14.326 -10.969
  517    HA   SER  89           HA       SER  89  -8.918  12.872 -13.237
  518    HG   SER  89           HG       SER  89  -6.057  15.433 -13.089
  519    HB2  SER  89           HB2      SER  89  -7.440  14.588 -14.460
  520    HB3  SER  89           HB3      SER  89  -8.796  15.198 -13.508
  521    H    THR  90           HN       THR  90  -6.971  12.846 -15.089
  522    HA   THR  90           HA       THR  90  -5.884  10.348 -14.823
  523    HB   THR  90           HB       THR  90  -4.673  12.567 -16.475
  524    HG1  THR  90           HG1      THR  90  -7.147  11.480 -16.587
  525   HG21  THR  90          HG23      THR  90  -4.731   9.568 -16.894
  526   HG22  THR  90          HG21      THR  90  -3.328  10.526 -16.413
  527   HG23  THR  90          HG22      THR  90  -4.044  10.755 -18.006
  528    H    ASP  91           HN       ASP  91  -4.423  13.430 -13.960
  529    HA   ASP  91           HA       ASP  91  -1.779  12.869 -13.613
  530    HB2  ASP  91           HB2      ASP  91  -3.366  14.373 -11.538
  531    HB3  ASP  91           HB3      ASP  91  -1.714  14.672 -12.062
  532    H    ALA  92           HN       ALA  92  -4.290  12.439 -11.141
  533    HA   ALA  92           HA       ALA  92  -2.454  11.429  -9.206
  534    HB1  ALA  92           HB3      ALA  92  -4.388  11.188  -7.778
  535    HB2  ALA  92           HB1      ALA  92  -4.434  12.741  -8.613
  536    HB3  ALA  92           HB2      ALA  92  -5.459  11.411  -9.156
  537    H    ARG  93           HN       ARG  93  -3.843   9.938 -11.816
  538    HA   ARG  93           HA       ARG  93  -4.205   7.342 -10.513
  539    HE   ARG  93           HE       ARG  93  -8.455   9.656 -11.914
  540    HB2  ARG  93           HB2      ARG  93  -4.687   8.224 -13.374
  541    HB3  ARG  93           HB3      ARG  93  -5.137   6.665 -12.691
  542    HG2  ARG  93           HG2      ARG  93  -6.679   7.712 -11.175
  543    HG3  ARG  93           HG3      ARG  93  -6.146   9.310 -11.692
  544    HD2  ARG  93           HD2      ARG  93  -6.972   8.755 -13.979
  545    HD3  ARG  93           HD3      ARG  93  -7.655   7.270 -13.316
  546   HH11  ARG  93          HH12      ARG  93  -9.201   7.538 -14.604
  547   HH12  ARG  93          HH11      ARG  93 -10.872   8.002 -14.661
  548   HH21  ARG  93          HH22      ARG  93 -10.637  10.260 -12.004
  549   HH22  ARG  93          HH21      ARG  93 -11.682   9.556 -13.203
  550    H    GLU  94           HN       GLU  94  -1.840   9.144 -11.895
  551    HA   GLU  94           HA       GLU  94  -0.235   6.826 -12.772
  552    HB2  GLU  94           HB2      GLU  94  -0.672   8.491 -14.547
  553    HB3  GLU  94           HB3      GLU  94  -0.039   9.765 -13.520
  554    HG2  GLU  94           HG2      GLU  94   1.689   9.329 -14.993
  555    HG3  GLU  94           HG3      GLU  94   2.146   8.443 -13.542
  556    H    MET  95           HN       MET  95  -0.363   9.870 -11.151
  557    HA   MET  95           HA       MET  95   2.193  10.170 -10.120
  558    HB2  MET  95           HB2      MET  95   0.293  11.850 -10.266
  559    HB3  MET  95           HB3      MET  95  -0.369  11.096  -8.825
  560    HG2  MET  95           HG2      MET  95   0.800  13.034  -8.142
  561    HG3  MET  95           HG3      MET  95   1.757  11.638  -7.655
  562    HE1  MET  95           HE3      MET  95   2.624  14.907  -8.154
  563    HE2  MET  95           HE1      MET  95   3.534  13.689  -7.259
  564    HE3  MET  95           HE2      MET  95   4.300  14.567  -8.584
  565    H    SER  96           HN       SER  96  -0.568   8.389  -8.892
  566    HA   SER  96           HA       SER  96   0.254   8.577  -6.185
  567    HG   SER  96           HG       SER  96  -3.007   6.781  -7.737
  568    HB2  SER  96           HB2      SER  96  -1.688   7.151  -5.713
  569    HB3  SER  96           HB3      SER  96  -2.093   8.502  -6.773
  570    H    LYS  97           HN       LYS  97   1.152   6.548  -8.684
  571    HA   LYS  97           HA       LYS  97   0.958   3.981  -7.548
  572    HB2  LYS  97           HB2      LYS  97   2.661   5.030  -9.805
  573    HB3  LYS  97           HB3      LYS  97   2.507   3.326  -9.413
  574    HG2  LYS  97           HG2      LYS  97   0.038   3.552  -9.767
  575    HG3  LYS  97           HG3      LYS  97   0.342   5.184 -10.362
  576    HD2  LYS  97           HD2      LYS  97   1.556   2.675 -11.520
  577    HD3  LYS  97           HD3      LYS  97   0.145   3.510 -12.175
  578    HE2  LYS  97           HE2      LYS  97   1.484   5.490 -12.592
  579    HE3  LYS  97           HE3      LYS  97   2.885   4.729 -11.842
  580    HZ1  LYS  97           HZ3      LYS  97   1.546   3.516 -14.179
  581    HZ2  LYS  97           HZ1      LYS  97   3.116   3.243 -13.599
  582    HZ3  LYS  97           HZ2      LYS  97   2.727   4.713 -14.368
  583    H    THR  98           HN       THR  98   3.444   6.400  -7.317
  584    HA   THR  98           HA       THR  98   5.358   4.507  -6.227
  585    HB   THR  98           HB       THR  98   6.122   6.308  -7.753
  586    HG1  THR  98           HG1      THR  98   7.137   6.089  -5.104
  587   HG21  THR  98          HG23      THR  98   6.325   8.588  -6.838
  588   HG22  THR  98          HG21      THR  98   5.393   8.081  -5.428
  589   HG23  THR  98          HG22      THR  98   4.647   8.083  -7.025
  590    H    PHE  99           HN       PHE  99   2.736   5.958  -5.049
  591    HA   PHE  99           HA       PHE  99   3.898   6.451  -2.400
  592    HD1  PHE  99           HD1      PHE  99   3.442   8.933  -1.242
  593    HD2  PHE  99           HD2      PHE  99   1.945   8.734  -5.228
  594    HE1  PHE  99           HE1      PHE  99   4.488  11.097  -1.743
  595    HE2  PHE  99           HE2      PHE  99   2.991  10.911  -5.719
  596    HZ   PHE  99           HZ       PHE  99   4.267  12.083  -3.976
  597    HB2  PHE  99           HB2      PHE  99   1.216   7.151  -3.600
  598    HB3  PHE  99           HB3      PHE  99   1.599   7.372  -1.894
  599    H    ILE 100           HN       ILE 100   2.485   4.094  -4.220
  600    HA   ILE 100           HA       ILE 100   0.933   2.759  -2.230
  601    HB   ILE 100           HB       ILE 100   2.209   1.571  -4.712
  602   HG12  ILE 100          HG12      ILE 100  -0.597   2.645  -4.348
  603   HG13  ILE 100          HG13      ILE 100   0.695   3.484  -5.201
  604   HG21  ILE 100          HG21      ILE 100   0.566  -0.192  -4.494
  605   HG22  ILE 100          HG22      ILE 100   1.524  -0.073  -3.021
  606   HG23  ILE 100          HG23      ILE 100  -0.115   0.586  -3.066
  607   HD11  ILE 100          HD13      ILE 100   0.792   1.690  -6.841
  608   HD12  ILE 100          HD11      ILE 100  -0.483   0.823  -5.983
  609   HD13  ILE 100          HD12      ILE 100  -0.826   2.378  -6.741
  610    H    ILE 101           HN       ILE 101   2.186   2.418  -0.363
  611    HA   ILE 101           HA       ILE 101   4.927   1.581  -0.628
  612    HB   ILE 101           HB       ILE 101   5.001   1.601   1.834
  613   HG12  ILE 101          HG12      ILE 101   2.104   2.465   1.664
  614   HG13  ILE 101          HG13      ILE 101   2.643   0.873   2.195
  615   HG21  ILE 101          HG21      ILE 101   4.629   4.018   2.107
  616   HG22  ILE 101          HG22      ILE 101   5.443   3.651   0.584
  617   HG23  ILE 101          HG23      ILE 101   3.725   4.042   0.593
  618   HD11  ILE 101          HD13      ILE 101   3.775   1.857   4.082
  619   HD12  ILE 101          HD11      ILE 101   3.347   3.475   3.526
  620   HD13  ILE 101          HD12      ILE 101   2.087   2.359   4.058
  621    H    GLY 102           HN       GLY 102   1.899  -0.015  -0.261
  622    HA2  GLY 102           HA1      GLY 102   2.922  -2.540  -0.797
  623    HA3  GLY 102           HA2      GLY 102   2.852  -2.401   0.955
  624    H    GLU 103           HN       GLU 103   1.298  -4.238   0.658
  625    HA   GLU 103           HA       GLU 103  -1.385  -3.069   0.351
  626    HB2  GLU 103           HB2      GLU 103  -0.387  -5.709  -0.651
  627    HB3  GLU 103           HB3      GLU 103  -2.084  -5.519  -0.231
  628    HG2  GLU 103           HG2      GLU 103  -1.900  -3.400  -1.764
  629    HG3  GLU 103           HG3      GLU 103  -0.501  -4.247  -2.413
  630    H    LEU 104           HN       LEU 104  -2.993  -4.917   1.354
  631    HA   LEU 104           HA       LEU 104  -2.428  -4.687   4.149
  632    HG   LEU 104           HG       LEU 104  -4.839  -3.862   2.055
  633    HB2  LEU 104           HB2      LEU 104  -4.677  -6.157   2.793
  634    HB3  LEU 104           HB3      LEU 104  -4.630  -5.655   4.467
  635   HD11  LEU 104          HD11      LEU 104  -6.968  -3.222   3.085
  636   HD12  LEU 104          HD12      LEU 104  -6.912  -4.939   2.678
  637   HD13  LEU 104          HD13      LEU 104  -6.701  -4.421   4.351
  638   HD21  LEU 104          HD23      LEU 104  -4.513  -3.150   4.969
  639   HD22  LEU 104          HD21      LEU 104  -3.394  -2.781   3.654
  640   HD23  LEU 104          HD22      LEU 104  -4.984  -2.020   3.703
  641    H    HIS 105           HN       HIS 105  -2.951  -6.699   5.585
  642    HA   HIS 105           HA       HIS 105  -1.053  -8.731   5.064
  643    HD1  HIS 105           HD1      HIS 105  -2.318 -11.122   8.449
  644    HD2  HIS 105           HD2      HIS 105   0.622  -8.610   6.904
  645    HE1  HIS 105           HE1      HIS 105  -0.130 -12.007   9.330
  646    HE2  HIS 105           HE2      HIS 105   1.644 -10.495   8.359
  647    HB2  HIS 105           HB2      HIS 105  -2.451  -7.913   7.277
  648    HB3  HIS 105           HB3      HIS 105  -3.252  -9.435   6.905
  649    HA   PRO 106           HA       PRO 106  -2.664 -11.942   2.428
  650    HB2  PRO 106           HB2      PRO 106  -2.917 -13.401   5.040
  651    HB3  PRO 106           HB3      PRO 106  -2.338 -14.003   3.482
  652    HG2  PRO 106           HG2      PRO 106  -0.669 -13.166   5.456
  653    HG3  PRO 106           HG3      PRO 106  -0.273 -13.051   3.732
  654    HD2  PRO 106           HD2      PRO 106  -0.763 -10.912   5.620
  655    HD3  PRO 106           HD3      PRO 106  -0.235 -10.804   3.930
  656    H    ASP 107           HN       ASP 107  -4.418 -11.682   5.512
  657    HA   ASP 107           HA       ASP 107  -6.783 -12.884   4.354
  658    HB2  ASP 107           HB2      ASP 107  -5.842 -13.496   6.637
  659    HB3  ASP 107           HB3      ASP 107  -6.379 -11.914   7.189
  660    H    ASP 108           HN       ASP 108  -5.559  -9.848   5.469
  661    HA   ASP 108           HA       ASP 108  -8.061  -8.449   5.555
  662    HB2  ASP 108           HB2      ASP 108  -5.192  -7.451   5.514
  663    HB3  ASP 108           HB3      ASP 108  -6.593  -6.402   5.714
  664    H    ARG 109           HN       ARG 109  -5.610  -9.113   3.159
  665    HA   ARG 109           HA       ARG 109  -6.581  -7.357   1.153
  666    HE   ARG 109           HE       ARG 109  -3.217  -7.364  -1.508
  667    HB2  ARG 109           HB2      ARG 109  -5.071  -9.980   0.927
  668    HB3  ARG 109           HB3      ARG 109  -5.441  -8.941  -0.434
  669    HG2  ARG 109           HG2      ARG 109  -4.134  -7.136   0.600
  670    HG3  ARG 109           HG3      ARG 109  -3.723  -8.222   1.927
  671    HD2  ARG 109           HD2      ARG 109  -1.877  -8.374   0.528
  672    HD3  ARG 109           HD3      ARG 109  -2.833  -9.788   0.083
  673   HH11  ARG 109          HH12      ARG 109  -1.692 -10.521  -1.224
  674   HH12  ARG 109          HH11      ARG 109  -1.309 -10.620  -2.910
  675   HH21  ARG 109          HH22      ARG 109  -2.668  -7.511  -3.724
  676   HH22  ARG 109          HH21      ARG 109  -1.855  -8.930  -4.322
  677    HA   PRO 110           HA       PRO 110 -10.648  -7.757   0.711
  678    HB2  PRO 110           HB2      PRO 110  -9.985  -9.246  -1.804
  679    HB3  PRO 110           HB3      PRO 110 -11.276  -8.069  -1.522
  680    HG2  PRO 110           HG2      PRO 110  -8.735  -7.443  -2.467
  681    HG3  PRO 110           HG3      PRO 110  -9.847  -6.293  -1.701
  682    HD2  PRO 110           HD2      PRO 110  -7.337  -7.091  -0.694
  683    HD3  PRO 110           HD3      PRO 110  -8.608  -6.245   0.218
  684    H    LYS 111           HN       LYS 111  -9.173 -10.617   1.612
  685    HA   LYS 111           HA       LYS 111  -9.939 -12.645   2.313
  686    HB2  LYS 111           HB2      LYS 111 -12.554 -11.149   2.324
  687    HB3  LYS 111           HB3      LYS 111 -12.391 -12.786   2.939
  688    HG2  LYS 111           HG2      LYS 111 -10.811 -10.437   3.975
  689    HG3  LYS 111           HG3      LYS 111 -12.362 -10.946   4.644
  690    HD2  LYS 111           HD2      LYS 111  -9.974 -12.751   4.408
  691    HD3  LYS 111           HD3      LYS 111 -10.319 -11.790   5.845
  692    HE2  LYS 111           HE2      LYS 111 -12.564 -12.950   5.909
  693    HE3  LYS 111           HE3      LYS 111 -11.941 -14.036   4.667
  694    HZ1  LYS 111           HZ3      LYS 111 -10.032 -14.463   6.241
  695    HZ2  LYS 111           HZ1      LYS 111 -11.540 -15.095   6.719
  696    HZ3  LYS 111           HZ2      LYS 111 -10.941 -13.682   7.432
  697    H    LEU 112           HN       LEU 112 -12.688 -11.655   0.426
  698    HA   LEU 112           HA       LEU 112 -14.034 -13.382  -0.701
  699    HG   LEU 112           HG       LEU 112 -13.713 -13.252  -3.781
  700    HB2  LEU 112           HB2      LEU 112 -13.853 -11.152  -1.619
  701    HB3  LEU 112           HB3      LEU 112 -12.376 -11.591  -2.455
  702   HD11  LEU 112          HD11      LEU 112 -16.152 -12.926  -3.848
  703   HD12  LEU 112          HD12      LEU 112 -15.590 -13.546  -2.296
  704   HD13  LEU 112          HD13      LEU 112 -16.028 -11.847  -2.457
  705   HD21  LEU 112          HD23      LEU 112 -14.528 -10.352  -3.968
  706   HD22  LEU 112          HD21      LEU 112 -13.103 -11.087  -4.701
  707   HD23  LEU 112          HD22      LEU 112 -14.715 -11.555  -5.244
  708    H    ASN 113           HN       ASN 113 -11.007 -13.104  -2.568
  709    HA   ASN 113           HA       ASN 113 -10.620 -15.917  -2.779
  710    HB2  ASN 113           HB2      ASN 113 -12.604 -15.834  -4.161
  711    HB3  ASN 113           HB3      ASN 113 -11.950 -14.496  -5.092
  712   HD21  ASN 113          HD21      ASN 113 -11.607 -17.916  -4.385
  713   HD22  ASN 113          HD22      ASN 113 -10.776 -18.321  -5.845
  714    H    LYS 114           HN       LYS 114 -10.115 -12.713  -4.066
  715    HA   LYS 114           HA       LYS 114  -8.219 -11.526  -4.464
  716    HB2  LYS 114           HB2      LYS 114  -6.658 -14.013  -3.754
  717    HB3  LYS 114           HB3      LYS 114  -6.048 -12.364  -3.798
  718    HG2  LYS 114           HG2      LYS 114  -7.582 -11.810  -1.925
  719    HG3  LYS 114           HG3      LYS 114  -8.038 -13.514  -1.849
  720    HD2  LYS 114           HD2      LYS 114  -5.494 -13.935  -1.647
  721    HD3  LYS 114           HD3      LYS 114  -5.406 -12.228  -1.220
  722    HE2  LYS 114           HE2      LYS 114  -5.576 -13.314   0.837
  723    HE3  LYS 114           HE3      LYS 114  -7.219 -12.764   0.510
  724    HZ1  LYS 114           HZ3      LYS 114  -7.779 -14.981  -0.268
  725    HZ2  LYS 114           HZ1      LYS 114  -7.163 -15.047   1.306
  726    HZ3  LYS 114           HZ2      LYS 114  -6.193 -15.503   0.002
  727    HA   PRO 115           HA       PRO 115  -6.899 -12.623  -8.623
  728    HB2  PRO 115           HB2      PRO 115  -4.104 -11.920  -7.962
  729    HB3  PRO 115           HB3      PRO 115  -5.173 -11.230  -9.187
  730    HG2  PRO 115           HG2      PRO 115  -4.540  -9.861  -6.976
  731    HG3  PRO 115           HG3      PRO 115  -6.161  -9.762  -7.690
  732    HD2  PRO 115           HD2      PRO 115  -5.235 -11.330  -5.309
  733    HD3  PRO 115           HD3      PRO 115  -6.734 -10.402  -5.531
  734    HA   PRO 116           HA       PRO 116  -5.288 -16.714  -8.040
  735    HB2  PRO 116           HB2      PRO 116  -5.017 -17.425 -10.650
  736    HB3  PRO 116           HB3      PRO 116  -6.572 -17.380  -9.811
  737    HG2  PRO 116           HG2      PRO 116  -5.371 -15.400 -11.693
  738    HG3  PRO 116           HG3      PRO 116  -7.057 -15.917 -11.533
  739    HD2  PRO 116           HD2      PRO 116  -6.086 -13.572 -10.524
  740    HD3  PRO 116           HD3      PRO 116  -7.481 -14.435  -9.846
  741    H    GLU 117           HN       GLU 117  -3.402 -18.059  -8.739
  742    HA   GLU 117           HA       GLU 117  -1.065 -16.297  -8.985
  743    HB2  GLU 117           HB2      GLU 117   0.200 -18.199  -7.985
  744    HB3  GLU 117           HB3      GLU 117  -1.073 -17.581  -6.944
  745    HG2  GLU 117           HG2      GLU 117  -2.505 -19.442  -7.568
  746    HG3  GLU 117           HG3      GLU 117  -1.262 -20.044  -8.659
  747    H    THR 118           HN       THR 118  -2.615 -19.100 -10.446
  748    HA   THR 118           HA       THR 118  -0.152 -19.850 -11.776
  749    HB   THR 118           HB       THR 118  -1.601 -21.848 -12.490
  750    HG1  THR 118           HG1      THR 118  -3.582 -21.938 -11.699
  751   HG21  THR 118          HG23      THR 118  -1.003 -21.334  -9.574
  752   HG22  THR 118          HG21      THR 118   0.128 -21.960 -10.771
  753   HG23  THR 118          HG22      THR 118  -1.277 -22.919 -10.299
  754    H    LEU 119           HN       LEU 119  -2.760 -17.901 -12.655
  755    HA   LEU 119           HA       LEU 119  -1.967 -18.094 -15.411
  756    HG   LEU 119           HG       LEU 119  -5.557 -17.715 -14.492
  757    HB2  LEU 119           HB2      LEU 119  -4.099 -18.579 -16.393
  758    HB3  LEU 119           HB3      LEU 119  -3.634 -19.884 -15.321
  759   HD11  LEU 119          HD11      LEU 119  -6.183 -20.415 -15.676
  760   HD12  LEU 119          HD12      LEU 119  -7.354 -19.274 -15.015
  761   HD13  LEU 119          HD13      LEU 119  -6.442 -18.861 -16.468
  762   HD21  LEU 119          HD23      LEU 119  -6.219 -19.355 -12.817
  763   HD22  LEU 119          HD21      LEU 119  -5.034 -20.494 -13.458
  764   HD23  LEU 119          HD22      LEU 119  -4.496 -18.994 -12.700
  765    H    ILE 120           HN       ILE 120  -3.605 -16.706 -16.792
  766    HA   ILE 120           HA       ILE 120  -4.353 -14.287 -15.313
  767    HB   ILE 120           HB       ILE 120  -2.138 -13.812 -16.181
  768   HG12  ILE 120          HG12      ILE 120  -4.232 -12.492 -17.924
  769   HG13  ILE 120          HG13      ILE 120  -3.812 -12.001 -16.287
  770   HG21  ILE 120          HG21      ILE 120  -1.598 -13.932 -18.556
  771   HG22  ILE 120          HG22      ILE 120  -2.056 -15.516 -17.930
  772   HG23  ILE 120          HG23      ILE 120  -3.200 -14.583 -18.898
  773   HD11  ILE 120          HD13      ILE 120  -1.952 -11.961 -18.654
  774   HD12  ILE 120          HD11      ILE 120  -2.793 -10.565 -17.978
  775   HD13  ILE 120          HD12      ILE 120  -1.573 -11.410 -17.024
  776    H    THR 121           HN       THR 121  -6.283 -13.434 -16.007
  777    HA   THR 121           HA       THR 121  -7.276 -13.705 -18.644
  778    HB   THR 121           HB       THR 121  -7.536 -16.068 -18.050
  779    HG1  THR 121           HG1      THR 121 -10.080 -14.783 -18.096
  780   HG21  THR 121          HG23      THR 121  -9.108 -16.771 -16.302
  781   HG22  THR 121          HG21      THR 121  -9.327 -15.088 -15.826
  782   HG23  THR 121          HG22      THR 121  -7.755 -15.864 -15.629
  783    H    THR 122           HN       THR 122  -7.038 -11.659 -16.639
  784    HA   THR 122           HA       THR 122  -9.869 -11.027 -16.175
  785    HB   THR 122           HB       THR 122  -9.020  -9.410 -14.440
  786    HG1  THR 122           HG1      THR 122  -6.937  -9.086 -14.575
  787   HG21  THR 122          HG23      THR 122  -8.389 -12.335 -14.028
  788   HG22  THR 122          HG21      THR 122  -9.944 -11.548 -13.754
  789   HG23  THR 122          HG22      THR 122  -8.560 -11.145 -12.739
  790    H    ILE 123           HN       ILE 123 -10.718  -9.226 -17.048
  791    HA   ILE 123           HA       ILE 123  -9.077  -6.983 -17.723
  792    HB   ILE 123           HB       ILE 123  -8.635  -8.200 -19.739
  793   HG12  ILE 123          HG12      ILE 123 -10.734  -6.082 -20.255
  794   HG13  ILE 123          HG13      ILE 123  -9.031  -5.777 -19.938
  795   HG21  ILE 123          HG21      ILE 123 -11.614  -8.489 -20.107
  796   HG22  ILE 123          HG22      ILE 123 -10.376  -8.988 -21.261
  797   HG23  ILE 123          HG23      ILE 123 -10.487  -9.782 -19.693
  798   HD11  ILE 123          HD13      ILE 123 -10.210  -7.170 -22.330
  799   HD12  ILE 123          HD11      ILE 123  -9.454  -5.578 -22.286
  800   HD13  ILE 123          HD12      ILE 123  -8.481  -7.023 -22.008
  801    H    ASP 124           HN       ASP 124 -10.443  -5.991 -16.230
  802    HA   ASP 124           HA       ASP 124 -13.183  -5.554 -16.442
  803    HB2  ASP 124           HB2      ASP 124 -11.906  -4.686 -14.580
  804    HB3  ASP 124           HB3      ASP 124 -10.954  -3.659 -15.647
  805    H    SER 125           HN       SER 125 -10.678  -3.380 -17.686
  806    HA   SER 125           HA       SER 125 -11.765  -3.165 -20.283
  807    HG   SER 125           HG       SER 125 -11.743  -0.437 -20.789
  808    HB2  SER 125           HB2      SER 125 -13.471  -1.830 -19.030
  809    HB3  SER 125           HB3      SER 125 -12.180  -0.761 -18.486
  810    H    SER 126           HN       SER 126 -10.131  -1.137 -17.860
  811    HA   SER 126           HA       SER 126  -7.908  -0.767 -19.746
  812    HG   SER 126           HG       SER 126  -8.754   1.754 -19.934
  813    HB2  SER 126           HB2      SER 126  -8.623   0.833 -17.271
  814    HB3  SER 126           HB3      SER 126  -7.313   1.199 -18.394
  815    H    SER 127           HN       SER 127  -7.311  -3.024 -19.109
  816    HA   SER 127           HA       SER 127  -5.853  -4.451 -18.123
  817    HG   SER 127           HG       SER 127  -4.610  -3.173 -19.637
  818    HB2  SER 127           HB2      SER 127  -4.543  -1.914 -17.129
  819    HB3  SER 127           HB3      SER 127  -3.773  -3.490 -17.304
  820    H    SER 128           HN       SER 128  -7.741  -4.981 -16.710
  821    HA   SER 128           HA       SER 128  -6.789  -4.945 -13.970
  822    HG   SER 128           HG       SER 128  -8.459  -5.092 -12.397
  823    HB2  SER 128           HB2      SER 128  -8.510  -3.097 -14.220
  824    HB3  SER 128           HB3      SER 128  -9.691  -4.347 -14.610
  825    HHA  HEM 129           HHA      HEM 129  -6.215  17.500  -6.090
  826    HHB  HEM 129           HHB      HEM 129  -2.371  12.315  -5.948
  827    HHC  HEM 129           HHC      HEM 129  -5.455  10.210  -0.758
  828    HHD  HEM 129           HHD      HEM 129  -9.504  15.232  -1.034
  829    HAB  HEM 129           HAB      HEM 129  -2.831   9.307  -0.755
  830    HAC  HEM 129           HAC      HEM 129 -10.283  13.766   0.686
  831   HMA1  HEM 129          HMA1      HEM 129  -2.067  15.308  -8.455
  832   HMA2  HEM 129          HMA2      HEM 129  -1.277  14.448  -7.132
  833   HMA3  HEM 129          HMA3      HEM 129  -2.314  13.576  -8.274
  834   HAA1  HEM 129          HAA1      HEM 129  -3.661  17.559  -8.096
  835   HAA2  HEM 129          HAA2      HEM 129  -3.855  16.207  -8.703
  836   HBA1  HEM 129          HBA1      HEM 129  -5.879  17.762  -9.286
  837   HBA2  HEM 129          HBA2      HEM 129  -6.437  16.209  -8.624
  838   HMB1  HEM 129          HMB1      HEM 129  -0.567  10.693  -3.884
  839   HMB2  HEM 129          HMB2      HEM 129  -1.563   9.611  -5.062
  840   HMB3  HEM 129          HMB3      HEM 129  -1.471   9.553  -3.540
  841   HBB1  HEM 129          HBB1      HEM 129  -3.625   7.791  -3.277
  842   HBB2  HEM 129          HBB2      HEM 129  -3.055   7.096  -1.635
  843   HMC1  HEM 129          HMC1      HEM 129  -7.864  11.045   1.982
  844   HMC2  HEM 129          HMC2      HEM 129  -8.003   9.882   0.655
  845   HMC3  HEM 129          HMC3      HEM 129  -6.400  10.443   1.244
  846   HBC1  HEM 129          HBC1      HEM 129 -10.083  13.354   3.013
  847   HBC2  HEM 129          HBC2      HEM 129  -8.410  12.590   2.804
  848   HMD1  HEM 129          HMD1      HEM 129 -10.342  17.206  -1.414
  849   HMD2  HEM 129          HMD2      HEM 129 -10.538  18.427  -2.823
  850   HMD3  HEM 129          HMD3      HEM 129  -9.331  18.213  -1.938
  851   HAD1  HEM 129          HAD1      HEM 129  -8.801  18.183  -6.213
  852   HAD2  HEM 129          HAD2      HEM 129  -9.666  18.184  -5.004
  853   HBD1  HEM 129          HBD1      HEM 129  -9.007  19.866  -3.619
  854   HBD2  HEM 129          HBD2      HEM 129  -9.958  20.117  -5.101
  Start of MODEL    9
    1    HA   MET  21           HA       MET  21  10.472  -4.468   9.724
    2    H1   MET  21           1H       MET  21  13.365  -4.429  10.198
    3    HB2  MET  21           HB2      MET  21  12.636  -3.877   7.693
    4    HB3  MET  21           HB3      MET  21  10.936  -4.115   7.313
    5    HG2  MET  21           HG2      MET  21  10.344  -2.169   8.640
    6    HG3  MET  21           HG3      MET  21  12.039  -1.940   9.073
    7    HE1  MET  21           HE3      MET  21  13.495  -2.675   6.286
    8    HE2  MET  21           HE1      MET  21  13.656  -1.063   5.586
    9    HE3  MET  21           HE2      MET  21  13.950  -1.311   7.308
   10    H    ALA  22           HN       ALA  22  10.605  -5.872   7.277
   11    HA   ALA  22           HA       ALA  22  11.984  -8.356   7.916
   12    HB1  ALA  22           HB3      ALA  22   9.737  -8.543   8.919
   13    HB2  ALA  22           HB1      ALA  22   9.029  -8.284   7.323
   14    HB3  ALA  22           HB2      ALA  22  10.014  -9.713   7.630
   15    H    GLU  23           HN       GLU  23  13.274  -7.663   6.118
   16    HA   GLU  23           HA       GLU  23  11.929  -8.132   3.544
   17    HB2  GLU  23           HB2      GLU  23  13.998  -6.559   2.813
   18    HB3  GLU  23           HB3      GLU  23  12.375  -5.967   3.125
   19    HG2  GLU  23           HG2      GLU  23  13.979  -4.547   4.211
   20    HG3  GLU  23           HG3      GLU  23  13.060  -5.409   5.440
   21    H    GLN  24           HN       GLN  24  14.684  -8.674   5.546
   22    HA   GLN  24           HA       GLN  24  16.662  -9.391   3.709
   23    HB2  GLN  24           HB2      GLN  24  16.951  -9.093   6.170
   24    HB3  GLN  24           HB3      GLN  24  16.198 -10.663   6.406
   25    HG2  GLN  24           HG2      GLN  24  18.104 -11.454   4.761
   26    HG3  GLN  24           HG3      GLN  24  18.900  -9.994   5.344
   27   HE21  GLN  24          HE21      GLN  24  17.765 -13.158   6.145
   28   HE22  GLN  24          HE22      GLN  24  18.562 -13.290   7.675
   29    H    SER  25           HN       SER  25  14.024 -11.364   4.907
   30    HA   SER  25           HA       SER  25  15.130 -13.895   4.857
   31    HG   SER  25           HG       SER  25  12.323 -15.442   4.194
   32    HB2  SER  25           HB2      SER  25  12.838 -13.224   5.737
   33    HB3  SER  25           HB3      SER  25  12.268 -13.344   4.071
   34    H    ASP  26           HN       ASP  26  12.975 -12.674   2.304
   35    HA   ASP  26           HA       ASP  26  14.666 -13.896   0.276
   36    HB2  ASP  26           HB2      ASP  26  13.024 -15.646   0.835
   37    HB3  ASP  26           HB3      ASP  26  11.706 -14.528   0.529
   38    H    GLU  27           HN       GLU  27  11.325 -12.847  -0.095
   39    HA   GLU  27           HA       GLU  27  11.453 -10.147  -0.009
   40    HB2  GLU  27           HB2      GLU  27  13.083 -10.645  -2.072
   41    HB3  GLU  27           HB3      GLU  27  11.556 -10.674  -2.945
   42    HG2  GLU  27           HG2      GLU  27  11.061  -8.439  -2.325
   43    HG3  GLU  27           HG3      GLU  27  12.383  -8.404  -1.159
   44    H    ALA  28           HN       ALA  28   9.554  -9.122  -1.350
   45    HA   ALA  28           HA       ALA  28   7.584 -10.680  -2.575
   46    HB1  ALA  28           HB3      ALA  28   5.928 -10.978  -0.857
   47    HB2  ALA  28           HB1      ALA  28   7.427 -11.730  -0.310
   48    HB3  ALA  28           HB2      ALA  28   6.945 -10.158   0.328
   49    H    VAL  29           HN       VAL  29   5.281  -9.491  -2.116
   50    HA   VAL  29           HA       VAL  29   5.613  -6.648  -2.464
   51    HB   VAL  29           HB       VAL  29   3.029  -8.136  -1.896
   52   HG11  VAL  29          HG11      VAL  29   3.029  -5.670  -1.660
   53   HG12  VAL  29          HG12      VAL  29   3.532  -5.538  -3.343
   54   HG13  VAL  29          HG13      VAL  29   1.963  -6.240  -2.946
   55   HG21  VAL  29          HG23      VAL  29   4.149  -9.142  -3.836
   56   HG22  VAL  29          HG21      VAL  29   2.682  -8.280  -4.298
   57   HG23  VAL  29          HG22      VAL  29   4.260  -7.549  -4.588
   58    H    LYS  30           HN       LYS  30   5.669  -5.185  -0.790
   59    HA   LYS  30           HA       LYS  30   5.696  -6.141   1.874
   60    HB2  LYS  30           HB2      LYS  30   5.686  -3.345   0.755
   61    HB3  LYS  30           HB3      LYS  30   5.629  -3.652   2.485
   62    HG2  LYS  30           HG2      LYS  30   7.745  -4.899   2.296
   63    HG3  LYS  30           HG3      LYS  30   7.809  -4.476   0.585
   64    HD2  LYS  30           HD2      LYS  30   7.711  -2.463   2.832
   65    HD3  LYS  30           HD3      LYS  30   9.195  -3.012   2.055
   66    HE2  LYS  30           HE2      LYS  30   8.391  -2.154  -0.090
   67    HE3  LYS  30           HE3      LYS  30   6.899  -1.621   0.680
   68    HZ1  LYS  30           HZ3      LYS  30   8.080  -0.036   1.961
   69    HZ2  LYS  30           HZ1      LYS  30   8.604   0.140   0.360
   70    HZ3  LYS  30           HZ2      LYS  30   9.588  -0.658   1.486
   71    H    TYR  31           HN       TYR  31   3.999  -6.823   2.894
   72    HA   TYR  31           HA       TYR  31   1.440  -5.467   2.471
   73    HD1  TYR  31           HD2      TYR  31   0.184  -6.758   0.878
   74    HD2  TYR  31           HD1      TYR  31   2.546  -9.876   2.551
   75    HE1  TYR  31           HE2      TYR  31   0.138  -7.935  -1.274
   76    HE2  TYR  31           HE1      TYR  31   2.506 -11.067   0.400
   77    HH   TYR  31           HH       TYR  31   1.092 -11.153  -1.641
   78    HB2  TYR  31           HB2      TYR  31   1.979  -8.086   3.881
   79    HB3  TYR  31           HB3      TYR  31   0.397  -7.396   3.549
   80    H    TYR  32           HN       TYR  32   0.241  -4.675   4.202
   81    HA   TYR  32           HA       TYR  32   1.516  -4.792   6.845
   82    HD1  TYR  32           HD2      TYR  32   1.603  -2.166   3.712
   83    HD2  TYR  32           HD1      TYR  32   3.245  -2.419   7.630
   84    HE1  TYR  32           HE2      TYR  32   3.780  -1.387   2.853
   85    HE2  TYR  32           HE1      TYR  32   5.411  -1.631   6.784
   86    HH   TYR  32           HH       TYR  32   6.641  -1.582   4.625
   87    HB2  TYR  32           HB2      TYR  32   0.151  -2.362   5.661
   88    HB3  TYR  32           HB3      TYR  32   0.834  -2.476   7.280
   89    H    THR  33           HN       THR  33  -0.021  -4.633   8.645
   90    HA   THR  33           HA       THR  33  -2.487  -5.981   7.935
   91    HB   THR  33           HB       THR  33  -2.918  -5.998  10.397
   92    HG1  THR  33           HG1      THR  33  -0.326  -4.797  10.542
   93   HG21  THR  33          HG23      THR  33  -1.169  -7.590  10.970
   94   HG22  THR  33          HG21      THR  33  -0.178  -7.012   9.632
   95   HG23  THR  33          HG22      THR  33  -1.694  -7.852   9.306
   96    H    LEU  34           HN       LEU  34  -4.631  -5.200   8.486
   97    HA   LEU  34           HA       LEU  34  -5.106  -2.518   7.851
   98    HG   LEU  34           HG       LEU  34  -7.700  -2.174   9.725
   99    HB2  LEU  34           HB2      LEU  34  -6.819  -4.242   7.706
  100    HB3  LEU  34           HB3      LEU  34  -6.800  -4.458   9.440
  101   HD11  LEU  34          HD11      LEU  34  -7.839  -2.172   6.713
  102   HD12  LEU  34          HD12      LEU  34  -8.548  -0.958   7.780
  103   HD13  LEU  34          HD13      LEU  34  -6.797  -1.160   7.712
  104   HD21  LEU  34          HD23      LEU  34  -9.189  -4.114   9.607
  105   HD22  LEU  34          HD21      LEU  34  -9.947  -2.666   8.939
  106   HD23  LEU  34          HD22      LEU  34  -9.311  -3.908   7.860
  107    H    GLU  35           HN       GLU  35  -4.620  -4.140  10.857
  108    HA   GLU  35           HA       GLU  35  -5.629  -2.290  12.678
  109    HB2  GLU  35           HB2      GLU  35  -5.180  -4.661  13.183
  110    HB3  GLU  35           HB3      GLU  35  -3.450  -4.346  13.089
  111    HG2  GLU  35           HG2      GLU  35  -3.862  -2.598  14.907
  112    HG3  GLU  35           HG3      GLU  35  -5.422  -3.387  15.128
  113    H    GLU  36           HN       GLU  36  -2.377  -2.710  11.386
  114    HA   GLU  36           HA       GLU  36  -1.170  -1.023  13.346
  115    HB2  GLU  36           HB2      GLU  36   0.894  -1.475  12.208
  116    HB3  GLU  36           HB3      GLU  36  -0.035  -2.965  12.258
  117    HG2  GLU  36           HG2      GLU  36  -0.737  -2.550   9.919
  118    HG3  GLU  36           HG3      GLU  36   0.303  -1.130   9.900
  119    H    ILE  37           HN       ILE  37  -2.642  -0.558  10.318
  120    HA   ILE  37           HA       ILE  37  -1.294   1.854   9.585
  121    HB   ILE  37           HB       ILE  37  -3.884   0.640   8.582
  122   HG12  ILE  37          HG12      ILE  37  -1.118   0.626   7.377
  123   HG13  ILE  37          HG13      ILE  37  -1.796  -0.709   8.302
  124   HG21  ILE  37          HG21      ILE  37  -2.200   2.800   7.304
  125   HG22  ILE  37          HG22      ILE  37  -3.681   2.090   6.660
  126   HG23  ILE  37          HG23      ILE  37  -3.737   3.064   8.129
  127   HD11  ILE  37          HD13      ILE  37  -2.885   0.395   5.726
  128   HD12  ILE  37          HD11      ILE  37  -1.966  -1.099   5.911
  129   HD13  ILE  37          HD12      ILE  37  -3.567  -0.951   6.639
  130    H    GLN  38           HN       GLN  38  -3.981   0.992  11.562
  131    HA   GLN  38           HA       GLN  38  -5.098   3.586  11.926
  132    HB2  GLN  38           HB2      GLN  38  -5.075   1.077  13.601
  133    HB3  GLN  38           HB3      GLN  38  -5.835   2.558  14.165
  134    HG2  GLN  38           HG2      GLN  38  -6.549   1.302  11.541
  135    HG3  GLN  38           HG3      GLN  38  -7.322   0.832  13.054
  136   HE21  GLN  38          HE21      GLN  38  -6.840   3.448  10.770
  137   HE22  GLN  38          HE22      GLN  38  -8.206   4.382  11.287
  138    H    LYS  39           HN       LYS  39  -2.238   2.055  12.906
  139    HA   LYS  39           HA       LYS  39  -1.692   3.821  15.161
  140    HB2  LYS  39           HB2      LYS  39  -1.106   1.265  14.864
  141    HB3  LYS  39           HB3      LYS  39   0.276   1.892  13.979
  142    HG2  LYS  39           HG2      LYS  39   0.891   1.445  16.255
  143    HG3  LYS  39           HG3      LYS  39   0.940   3.188  15.970
  144    HD2  LYS  39           HD2      LYS  39  -0.067   2.714  18.125
  145    HD3  LYS  39           HD3      LYS  39  -1.300   3.348  17.028
  146    HE2  LYS  39           HE2      LYS  39  -2.276   1.481  18.131
  147    HE3  LYS  39           HE3      LYS  39  -1.882   0.977  16.488
  148    HZ1  LYS  39           HZ3      LYS  39  -0.308   0.348  18.920
  149    HZ2  LYS  39           HZ1      LYS  39   0.135  -0.090  17.344
  150    HZ3  LYS  39           HZ2      LYS  39  -1.270  -0.732  18.046
  151    H    HIS  40           HN       HIS  40  -1.589   4.056  11.928
  152    HA   HIS  40           HA       HIS  40   0.837   5.728  11.888
  153    HD1  HIS  40           HD1      HIS  40   0.731   1.647   9.758
  154    HD2  HIS  40           HD2      HIS  40   3.026   4.420  11.832
  155    HE1  HIS  40           HE1      HIS  40   2.656   0.342  10.712
  156    HE2  HIS  40           HE2      HIS  40   4.000   2.028  12.018
  157    HB2  HIS  40           HB2      HIS  40  -0.268   3.918   9.717
  158    HB3  HIS  40           HB3      HIS  40   1.037   5.071   9.467
  159    H    ASN  41           HN       ASN  41  -1.676   6.661  12.604
  160    HA   ASN  41           HA       ASN  41  -2.788   7.972  10.200
  161    HB2  ASN  41           HB2      ASN  41  -4.925   7.920  11.309
  162    HB3  ASN  41           HB3      ASN  41  -4.221   6.311  11.422
  163   HD21  ASN  41          HD21      ASN  41  -6.264   7.456  13.054
  164   HD22  ASN  41          HD22      ASN  41  -5.680   7.464  14.678
  165    H    HIS  42           HN       HIS  42  -0.567   9.024  11.879
  166    HA   HIS  42           HA       HIS  42  -1.872  11.356  13.078
  167    HD1  HIS  42           HD1      HIS  42   1.906  10.116  13.929
  168    HD2  HIS  42           HD2      HIS  42  -0.749   7.447  15.681
  169    HE1  HIS  42           HE1      HIS  42   3.260   8.068  14.439
  170    HE2  HIS  42           HE2      HIS  42   1.573   6.390  15.294
  171    HB2  HIS  42           HB2      HIS  42  -0.549  11.056  15.174
  172    HB3  HIS  42           HB3      HIS  42  -1.769   9.817  14.916
  173    H    SER  43           HN       SER  43   0.125  12.556  14.334
  174    HA   SER  43           HA       SER  43   1.430  14.102  12.578
  175    HG   SER  43           HG       SER  43   3.075  15.620  13.938
  176    HB2  SER  43           HB2      SER  43   1.387  14.595  14.952
  177    HB3  SER  43           HB3      SER  43   2.436  13.221  15.294
  178    H    LYS  44           HN       LYS  44   3.154  11.474  14.241
  179    HA   LYS  44           HA       LYS  44   5.553  11.845  12.874
  180    HB2  LYS  44           HB2      LYS  44   5.277  10.702  15.085
  181    HB3  LYS  44           HB3      LYS  44   4.631   9.310  14.237
  182    HG2  LYS  44           HG2      LYS  44   7.016   9.094  14.885
  183    HG3  LYS  44           HG3      LYS  44   6.713   8.896  13.159
  184    HD2  LYS  44           HD2      LYS  44   8.696  10.240  13.484
  185    HD3  LYS  44           HD3      LYS  44   7.416  11.235  12.795
  186    HE2  LYS  44           HE2      LYS  44   6.947  12.129  15.047
  187    HE3  LYS  44           HE3      LYS  44   8.278  11.160  15.682
  188    HZ1  LYS  44           HZ3      LYS  44   9.805  12.349  14.239
  189    HZ2  LYS  44           HZ1      LYS  44   8.976  13.437  15.239
  190    HZ3  LYS  44           HZ2      LYS  44   8.537  13.278  13.614
  191    H    SER  45           HN       SER  45   2.735  10.233  11.798
  192    HA   SER  45           HA       SER  45   3.912   9.524   9.331
  193    HG   SER  45           HG       SER  45   4.167   7.181   8.506
  194    HB2  SER  45           HB2      SER  45   4.830   7.660  10.636
  195    HB3  SER  45           HB3      SER  45   3.212   7.233  11.181
  196    H    THR  46           HN       THR  46   2.331   9.701   7.862
  197    HA   THR  46           HA       THR  46  -0.444   9.208   8.727
  198    HB   THR  46           HB       THR  46   0.480  11.243   6.677
  199    HG1  THR  46           HG1      THR  46   0.602  11.395   9.270
  200   HG21  THR  46          HG23      THR  46  -1.856  12.075   6.834
  201   HG22  THR  46          HG21      THR  46  -2.251  10.696   7.859
  202   HG23  THR  46          HG22      THR  46  -1.763  10.438   6.185
  203    H    TRP  47           HN       TRP  47  -0.941   7.274   7.898
  204    HA   TRP  47           HA       TRP  47  -0.279   6.751   5.080
  205    HD1  TRP  47           HD1      TRP  47   1.835   6.719   5.996
  206    HE1  TRP  47           HE1      TRP  47   4.071   5.468   6.220
  207    HE3  TRP  47           HE3      TRP  47   0.020   2.068   7.042
  208    HZ2  TRP  47           HZ2      TRP  47   4.935   2.818   6.802
  209    HZ3  TRP  47           HZ3      TRP  47   1.612   0.230   7.428
  210    HH2  TRP  47           HH2      TRP  47   4.016   0.600   7.308
  211    HB2  TRP  47           HB2      TRP  47  -0.887   4.882   7.370
  212    HB3  TRP  47           HB3      TRP  47  -0.943   4.350   5.697
  213    H    LEU  48           HN       LEU  48  -1.961   5.478   3.908
  214    HA   LEU  48           HA       LEU  48  -4.623   5.480   5.008
  215    HG   LEU  48           HG       LEU  48  -3.758   6.325   1.473
  216    HB2  LEU  48           HB2      LEU  48  -5.695   6.647   3.163
  217    HB3  LEU  48           HB3      LEU  48  -4.592   7.706   4.014
  218   HD11  LEU  48          HD11      LEU  48  -5.825   7.516   0.979
  219   HD12  LEU  48          HD12      LEU  48  -5.174   8.978   1.723
  220   HD13  LEU  48          HD13      LEU  48  -4.438   8.331   0.255
  221   HD21  LEU  48          HD23      LEU  48  -2.888   8.883   2.821
  222   HD22  LEU  48          HD21      LEU  48  -1.993   7.361   2.809
  223   HD23  LEU  48          HD22      LEU  48  -2.250   8.247   1.306
  224    H    ILE  49           HN       ILE  49  -6.160   4.500   3.269
  225    HA   ILE  49           HA       ILE  49  -4.674   2.595   1.591
  226    HB   ILE  49           HB       ILE  49  -7.147   1.924   3.208
  227   HG12  ILE  49          HG12      ILE  49  -4.301   0.965   3.610
  228   HG13  ILE  49          HG13      ILE  49  -5.104   2.169   4.613
  229   HG21  ILE  49          HG21      ILE  49  -7.111   0.666   1.167
  230   HG22  ILE  49          HG22      ILE  49  -5.414   0.249   1.399
  231   HG23  ILE  49          HG23      ILE  49  -6.639  -0.410   2.483
  232   HD11  ILE  49          HD13      ILE  49  -5.120   0.011   5.699
  233   HD12  ILE  49          HD11      ILE  49  -6.766   0.478   5.267
  234   HD13  ILE  49          HD12      ILE  49  -5.904  -0.714   4.296
  235    H    LEU  50           HN       LEU  50  -5.429   2.438  -0.455
  236    HA   LEU  50           HA       LEU  50  -8.188   3.321  -0.992
  237    HG   LEU  50           HG       LEU  50  -5.886   5.600  -1.144
  238    HB2  LEU  50           HB2      LEU  50  -5.763   3.792  -2.739
  239    HB3  LEU  50           HB3      LEU  50  -7.415   4.062  -3.249
  240   HD11  LEU  50          HD11      LEU  50  -5.414   6.171  -3.492
  241   HD12  LEU  50          HD12      LEU  50  -7.132   6.465  -3.753
  242   HD13  LEU  50          HD13      LEU  50  -6.223   7.483  -2.636
  243   HD21  LEU  50          HD23      LEU  50  -8.196   5.284  -0.408
  244   HD22  LEU  50          HD21      LEU  50  -7.877   6.958  -0.863
  245   HD23  LEU  50          HD22      LEU  50  -8.770   5.902  -1.957
  246    H    HIS  51           HN       HIS  51  -8.971   1.192  -0.954
  247    HA   HIS  51           HA       HIS  51  -9.572  -0.793  -1.951
  248    HD1  HIS  51           HD1      HIS  51 -10.522  -0.719  -6.025
  249    HD2  HIS  51           HD2      HIS  51 -10.452   2.155  -3.022
  250    HE1  HIS  51           HE1      HIS  51 -12.535   0.738  -6.434
  251    HE2  HIS  51           HE2      HIS  51 -12.335   2.607  -4.754
  252    HB2  HIS  51           HB2      HIS  51  -7.981   0.370  -4.238
  253    HB3  HIS  51           HB3      HIS  51  -8.779  -1.190  -4.337
  254    H    HIS  52           HN       HIS  52  -7.956  -1.492  -0.161
  255    HA   HIS  52           HA       HIS  52  -6.461  -3.082   0.516
  256    HD1  HIS  52           HD1      HIS  52  -8.352  -4.941  -2.842
  257    HD2  HIS  52           HD2      HIS  52  -6.521  -5.893   0.773
  258    HE1  HIS  52           HE1      HIS  52  -9.702  -6.845  -1.864
  259    HE2  HIS  52           HE2      HIS  52  -8.488  -7.477   0.259
  260    HB2  HIS  52           HB2      HIS  52  -6.332  -3.577  -2.433
  261    HB3  HIS  52           HB3      HIS  52  -5.146  -4.325  -1.374
  262    H    LYS  53           HN       LYS  53  -5.285  -1.030  -2.126
  263    HA   LYS  53           HA       LYS  53  -2.567  -1.346  -1.467
  264    HB2  LYS  53           HB2      LYS  53  -3.815   0.967  -2.935
  265    HB3  LYS  53           HB3      LYS  53  -2.115   0.524  -2.916
  266    HG2  LYS  53           HG2      LYS  53  -4.322  -1.184  -4.054
  267    HG3  LYS  53           HG3      LYS  53  -3.243  -0.147  -4.980
  268    HD2  LYS  53           HD2      LYS  53  -1.323  -1.438  -4.076
  269    HD3  LYS  53           HD3      LYS  53  -2.481  -2.537  -3.329
  270    HE2  LYS  53           HE2      LYS  53  -1.667  -3.445  -5.426
  271    HE3  LYS  53           HE3      LYS  53  -3.387  -3.081  -5.539
  272    HZ1  LYS  53           HZ3      LYS  53  -1.178  -1.399  -6.597
  273    HZ2  LYS  53           HZ1      LYS  53  -2.826  -1.017  -6.702
  274    HZ3  LYS  53           HZ2      LYS  53  -2.206  -2.367  -7.519
  275    H    VAL  54           HN       VAL  54  -1.520  -0.643   0.253
  276    HA   VAL  54           HA       VAL  54  -2.577   1.569   1.822
  277    HB   VAL  54           HB       VAL  54  -1.692  -0.402   2.976
  278   HG11  VAL  54          HG11      VAL  54   0.932   0.339   1.714
  279   HG12  VAL  54          HG12      VAL  54   0.743  -0.803   3.044
  280   HG13  VAL  54          HG13      VAL  54   0.007  -1.146   1.481
  281   HG21  VAL  54          HG23      VAL  54  -1.650   1.744   4.116
  282   HG22  VAL  54          HG21      VAL  54  -0.261   0.765   4.592
  283   HG23  VAL  54          HG22      VAL  54  -0.056   2.087   3.443
  284    H    TYR  55           HN       TYR  55  -1.720   3.585   1.891
  285    HA   TYR  55           HA       TYR  55   0.581   4.098   0.129
  286    HD1  TYR  55           HD2      TYR  55  -3.252   4.105  -0.324
  287    HD2  TYR  55           HD1      TYR  55  -0.069   5.925  -2.468
  288    HE1  TYR  55           HE2      TYR  55  -4.280   3.387  -2.438
  289    HE2  TYR  55           HE1      TYR  55  -1.084   5.220  -4.589
  290    HH   TYR  55           HH       TYR  55  -4.274   3.895  -4.763
  291    HB2  TYR  55           HB2      TYR  55  -1.808   5.860   0.674
  292    HB3  TYR  55           HB3      TYR  55  -0.369   6.394  -0.178
  293    H    ASP  56           HN       ASP  56   2.025   5.742   0.743
  294    HA   ASP  56           HA       ASP  56   1.833   6.615   3.554
  295    HB2  ASP  56           HB2      ASP  56   3.746   5.089   3.211
  296    HB3  ASP  56           HB3      ASP  56   4.344   6.114   1.914
  297    H    LEU  57           HN       LEU  57   1.691   8.817   3.827
  298    HA   LEU  57           HA       LEU  57   2.474  10.424   1.497
  299    HG   LEU  57           HG       LEU  57  -0.649   9.916   2.748
  300    HB2  LEU  57           HB2      LEU  57   0.867  11.407   3.850
  301    HB3  LEU  57           HB3      LEU  57   1.195  12.267   2.366
  302   HD11  LEU  57          HD11      LEU  57  -1.502  12.159   3.308
  303   HD12  LEU  57          HD12      LEU  57  -1.129  12.675   1.663
  304   HD13  LEU  57          HD13      LEU  57  -2.332  11.418   1.939
  305   HD21  LEU  57          HD23      LEU  57   0.630   9.584   0.687
  306   HD22  LEU  57          HD21      LEU  57  -1.052   9.994   0.342
  307   HD23  LEU  57          HD22      LEU  57   0.209  11.215   0.166
  308    H    THR  58           HN       THR  58   2.453  10.659   5.011
  309    HA   THR  58           HA       THR  58   3.729  11.817   6.481
  310    HB   THR  58           HB       THR  58   6.114  11.108   6.521
  311    HG1  THR  58           HG1      THR  58   5.546   9.416   4.304
  312   HG21  THR  58          HG23      THR  58   4.376   9.752   7.572
  313   HG22  THR  58          HG21      THR  58   5.642   8.729   6.895
  314   HG23  THR  58          HG22      THR  58   4.104   8.903   6.052
  315    H    LYS  59           HN       LYS  59   6.185  11.932   4.003
  316    HA   LYS  59           HA       LYS  59   6.854  14.646   4.405
  317    HB2  LYS  59           HB2      LYS  59   7.432  12.674   2.184
  318    HB3  LYS  59           HB3      LYS  59   8.118  14.294   2.216
  319    HG2  LYS  59           HG2      LYS  59   9.545  13.809   3.922
  320    HG3  LYS  59           HG3      LYS  59   8.451  12.634   4.649
  321    HD2  LYS  59           HD2      LYS  59   9.912  12.134   2.064
  322    HD3  LYS  59           HD3      LYS  59  10.572  11.703   3.644
  323    HE2  LYS  59           HE2      LYS  59   8.423  10.416   4.040
  324    HE3  LYS  59           HE3      LYS  59   8.070  10.658   2.331
  325    HZ1  LYS  59           HZ3      LYS  59   9.106   8.512   2.748
  326    HZ2  LYS  59           HZ1      LYS  59  10.466   9.265   3.417
  327    HZ3  LYS  59           HZ2      LYS  59  10.101   9.471   1.773
  328    H    PHE  60           HN       PHE  60   4.646  13.004   2.298
  329    HA   PHE  60           HA       PHE  60   4.393  14.883   0.236
  330    HD1  PHE  60           HD2      PHE  60   3.983  14.286  -1.949
  331    HD2  PHE  60           HD1      PHE  60   0.433  12.859  -0.077
  332    HE1  PHE  60           HE2      PHE  60   2.698  14.833  -3.976
  333    HE2  PHE  60           HE1      PHE  60  -0.850  13.396  -2.101
  334    HZ   PHE  60           HZ       PHE  60   0.274  14.379  -4.050
  335    HB2  PHE  60           HB2      PHE  60   3.826  12.477   0.104
  336    HB3  PHE  60           HB3      PHE  60   2.406  12.794   1.093
  337    H    LEU  61           HN       LEU  61   3.179  14.991   3.353
  338    HA   LEU  61           HA       LEU  61   0.544  15.843   3.164
  339    HG   LEU  61           HG       LEU  61   2.000  14.067   5.178
  340    HB2  LEU  61           HB2      LEU  61   2.664  16.408   5.219
  341    HB3  LEU  61           HB3      LEU  61   0.996  16.906   5.421
  342   HD11  LEU  61          HD11      LEU  61   2.472  15.022   7.347
  343   HD12  LEU  61          HD12      LEU  61   0.808  15.586   7.499
  344   HD13  LEU  61          HD13      LEU  61   1.156  13.857   7.485
  345   HD21  LEU  61          HD23      LEU  61  -0.149  14.320   4.075
  346   HD22  LEU  61          HD21      LEU  61  -0.323  13.411   5.576
  347   HD23  LEU  61          HD22      LEU  61  -0.811  15.104   5.509
  348    H    GLU  62           HN       GLU  62   3.463  17.709   2.781
  349    HA   GLU  62           HA       GLU  62   1.975  20.223   2.919
  350    HB2  GLU  62           HB2      GLU  62   4.187  21.289   2.931
  351    HB3  GLU  62           HB3      GLU  62   4.039  20.092   4.206
  352    HG2  GLU  62           HG2      GLU  62   5.354  18.519   2.942
  353    HG3  GLU  62           HG3      GLU  62   5.426  19.628   1.572
  354    H    GLU  63           HN       GLU  63   2.376  18.049   0.629
  355    HA   GLU  63           HA       GLU  63   2.949  19.963  -1.545
  356    HB2  GLU  63           HB2      GLU  63   3.777  17.073  -1.268
  357    HB3  GLU  63           HB3      GLU  63   3.945  18.002  -2.751
  358    HG2  GLU  63           HG2      GLU  63   5.164  18.975  -0.199
  359    HG3  GLU  63           HG3      GLU  63   5.975  17.754  -1.176
  360    H    HIS  64           HN       HIS  64   0.431  18.855  -0.265
  361    HA   HIS  64           HA       HIS  64  -0.801  17.925  -2.732
  362    HD1  HIS  64           HD1      HIS  64  -3.722  16.591   0.348
  363    HD2  HIS  64           HD2      HIS  64  -2.429  15.041  -3.334
  364    HE1  HIS  64           HE1      HIS  64  -5.710  15.368  -0.682
  365    HB2  HIS  64           HB3      HIS  64  -0.496  15.980  -1.345
  366    HB3  HIS  64           HB2      HIS  64  -1.191  16.767   0.035
  367    HA   PRO  65           HA       PRO  65  -3.077  21.731  -2.068
  368    HB2  PRO  65           HB2      PRO  65  -5.238  20.836  -3.652
  369    HB3  PRO  65           HB3      PRO  65  -3.876  21.831  -4.164
  370    HG2  PRO  65           HG2      PRO  65  -4.290  18.902  -4.434
  371    HG3  PRO  65           HG3      PRO  65  -3.434  20.023  -5.508
  372    HD2  PRO  65           HD2      PRO  65  -2.094  18.333  -3.946
  373    HD3  PRO  65           HD3      PRO  65  -1.506  19.992  -4.199
  374    H    GLY  66           HN       GLY  66  -4.556  18.596  -1.665
  375    HA2  GLY  66           HA1      GLY  66  -7.144  19.309  -0.943
  376    HA3  GLY  66           HA2      GLY  66  -6.360  17.798  -0.525
  377    H    GLY  67           HN       GLY  67  -4.271  19.332   1.019
  378    HA2  GLY  67           HA1      GLY  67  -4.543  20.974   2.886
  379    HA3  GLY  67           HA2      GLY  67  -5.977  20.053   3.313
  380    H    GLU  68           HN       GLU  68  -4.940  19.881   5.405
  381    HA   GLU  68           HA       GLU  68  -3.043  17.631   5.490
  382    HB2  GLU  68           HB2      GLU  68  -1.988  19.707   6.254
  383    HB3  GLU  68           HB3      GLU  68  -3.306  19.991   7.379
  384    HG2  GLU  68           HG2      GLU  68  -1.785  17.464   7.660
  385    HG3  GLU  68           HG3      GLU  68  -0.981  18.964   8.121
  386    H    GLU  69           HN       GLU  69  -5.203  19.392   7.615
  387    HA   GLU  69           HA       GLU  69  -5.879  17.481   9.430
  388    HB2  GLU  69           HB2      GLU  69  -7.621  19.710   8.365
  389    HB3  GLU  69           HB3      GLU  69  -7.887  18.849   9.873
  390    HG2  GLU  69           HG2      GLU  69  -5.834  19.710  10.780
  391    HG3  GLU  69           HG3      GLU  69  -5.441  20.482   9.244
  392    H    VAL  70           HN       VAL  70  -7.485  18.166   6.338
  393    HA   VAL  70           HA       VAL  70  -9.651  16.366   6.983
  394    HB   VAL  70           HB       VAL  70 -10.540  16.996   4.732
  395   HG11  VAL  70          HG11      VAL  70 -11.139  19.281   5.408
  396   HG12  VAL  70          HG12      VAL  70 -11.226  18.151   6.761
  397   HG13  VAL  70          HG13      VAL  70  -9.854  19.251   6.618
  398   HG21  VAL  70          HG23      VAL  70  -8.402  17.502   3.653
  399   HG22  VAL  70          HG21      VAL  70  -9.506  18.874   3.561
  400   HG23  VAL  70          HG22      VAL  70  -8.182  18.880   4.728
  401    H    LEU  71           HN       LEU  71  -6.632  16.089   5.463
  402    HA   LEU  71           HA       LEU  71  -7.222  13.769   3.890
  403    HG   LEU  71           HG       LEU  71  -5.066  16.358   3.700
  404    HB2  LEU  71           HB2      LEU  71  -4.607  14.583   5.194
  405    HB3  LEU  71           HB3      LEU  71  -4.788  13.371   3.939
  406   HD11  LEU  71          HD11      LEU  71  -2.818  15.528   3.565
  407   HD12  LEU  71          HD12      LEU  71  -3.294  14.306   2.388
  408   HD13  LEU  71          HD13      LEU  71  -3.344  16.016   1.954
  409   HD21  LEU  71          HD23      LEU  71  -6.917  15.405   2.467
  410   HD22  LEU  71          HD21      LEU  71  -5.684  15.996   1.352
  411   HD23  LEU  71          HD22      LEU  71  -5.830  14.268   1.667
  412    H    ARG  72           HN       ARG  72  -5.828  14.436   7.013
  413    HA   ARG  72           HA       ARG  72  -5.409  11.828   7.910
  414    HE   ARG  72           HE       ARG  72  -3.020  12.279  11.174
  415    HB2  ARG  72           HB2      ARG  72  -5.737  14.447   9.353
  416    HB3  ARG  72           HB3      ARG  72  -5.313  12.955  10.175
  417    HG2  ARG  72           HG2      ARG  72  -3.332  12.845   8.537
  418    HG3  ARG  72           HG3      ARG  72  -3.699  14.547   8.217
  419    HD2  ARG  72           HD2      ARG  72  -1.992  14.150  10.033
  420    HD3  ARG  72           HD3      ARG  72  -3.385  15.130  10.511
  421   HH11  ARG  72          HH12      ARG  72  -4.328  15.449  11.903
  422   HH12  ARG  72          HH11      ARG  72  -5.141  14.920  13.344
  423   HH21  ARG  72          HH22      ARG  72  -4.109  11.566  13.049
  424   HH22  ARG  72          HH21      ARG  72  -5.023  12.704  13.998
  425    H    GLU  73           HN       GLU  73  -8.161  13.920   8.070
  426    HA   GLU  73           HA       GLU  73  -9.734  12.674  10.027
  427    HB2  GLU  73           HB2      GLU  73 -10.044  14.911   8.721
  428    HB3  GLU  73           HB3      GLU  73 -10.885  13.926   7.537
  429    HG2  GLU  73           HG2      GLU  73 -12.647  14.656   8.799
  430    HG3  GLU  73           HG3      GLU  73 -12.270  13.155   9.643
  431    H    GLN  74           HN       GLN  74  -8.806  11.655   6.918
  432    HA   GLN  74           HA       GLN  74 -10.877   9.554   6.835
  433    HB2  GLN  74           HB2      GLN  74  -9.276  10.771   4.576
  434    HB3  GLN  74           HB3      GLN  74 -10.488   9.511   4.405
  435    HG2  GLN  74           HG2      GLN  74 -11.011  12.308   5.385
  436    HG3  GLN  74           HG3      GLN  74 -11.299  11.740   3.741
  437   HE21  GLN  74          HE21      GLN  74 -12.213   9.114   4.727
  438   HE22  GLN  74          HE22      GLN  74 -13.818   9.384   5.308
  439    H    ALA  75           HN       ALA  75  -7.800  10.054   7.738
  440    HA   ALA  75           HA       ALA  75  -6.572   7.879   6.206
  441    HB1  ALA  75           HB3      ALA  75  -5.379   9.970   6.113
  442    HB2  ALA  75           HB1      ALA  75  -5.295  10.041   7.874
  443    HB3  ALA  75           HB2      ALA  75  -4.428   8.777   6.999
  444    H    GLY  76           HN       GLY  76  -5.154   6.400   7.280
  445    HA2  GLY  76           HA1      GLY  76  -4.485   5.294   9.343
  446    HA3  GLY  76           HA2      GLY  76  -6.040   5.764  10.027
  447    H    GLY  77           HN       GLY  77  -7.023   5.108   7.167
  448    HA2  GLY  77           HA1      GLY  77  -6.759   2.245   6.949
  449    HA3  GLY  77           HA2      GLY  77  -8.359   2.773   7.495
  450    H    ASP  78           HN       ASP  78  -9.375   2.091   5.513
  451    HA   ASP  78           HA       ASP  78  -8.399   3.064   3.012
  452    HB2  ASP  78           HB2      ASP  78  -9.740   0.997   3.141
  453    HB3  ASP  78           HB3      ASP  78 -11.138   1.948   3.636
  454    H    ALA  79           HN       ALA  79  -8.871   4.893   1.949
  455    HA   ALA  79           HA       ALA  79 -10.853   6.701   3.185
  456    HB1  ALA  79           HB3      ALA  79  -8.238   7.452   1.878
  457    HB2  ALA  79           HB1      ALA  79  -9.425   8.581   2.531
  458    HB3  ALA  79           HB2      ALA  79  -8.580   7.470   3.608
  459    H    THR  80           HN       THR  80 -11.024   4.724   0.897
  460    HA   THR  80           HA       THR  80 -10.862   6.226  -1.506
  461    HB   THR  80           HB       THR  80 -10.757   3.631  -1.121
  462    HG1  THR  80           HG1      THR  80 -12.132   4.451  -3.462
  463   HG21  THR  80          HG23      THR  80 -13.006   3.319  -0.285
  464   HG22  THR  80          HG21      THR  80 -12.856   2.526  -1.852
  465   HG23  THR  80          HG22      THR  80 -13.686   4.078  -1.723
  466    H    GLU  81           HN       GLU  81 -13.077   6.425   0.912
  467    HA   GLU  81           HA       GLU  81 -15.578   6.617  -0.179
  468    HB2  GLU  81           HB2      GLU  81 -14.861   7.032   2.207
  469    HB3  GLU  81           HB3      GLU  81 -14.390   8.654   1.715
  470    HG2  GLU  81           HG2      GLU  81 -16.539   8.844   2.673
  471    HG3  GLU  81           HG3      GLU  81 -16.758   8.978   0.930
  472    H    ASN  82           HN       ASN  82 -13.097   9.128  -0.108
  473    HA   ASN  82           HA       ASN  82 -14.488  11.076  -1.641
  474    HB2  ASN  82           HB2      ASN  82 -12.666  11.647  -0.101
  475    HB3  ASN  82           HB3      ASN  82 -11.534  10.708  -1.064
  476   HD21  ASN  82          HD21      ASN  82 -13.320  13.686  -0.833
  477   HD22  ASN  82          HD22      ASN  82 -12.521  14.490  -2.135
  478    H    PHE  83           HN       PHE  83 -12.596   8.344  -2.408
  479    HA   PHE  83           HA       PHE  83 -11.600   9.253  -4.945
  480    HD1  PHE  83           HD1      PHE  83  -8.919   8.632  -5.179
  481    HD2  PHE  83           HD2      PHE  83 -11.294   5.136  -5.662
  482    HE1  PHE  83           HE1      PHE  83  -7.527   7.962  -7.091
  483    HE2  PHE  83           HE2      PHE  83  -9.904   4.466  -7.579
  484    HZ   PHE  83           HZ       PHE  83  -8.020   5.879  -8.293
  485    HB2  PHE  83           HB2      PHE  83 -10.381   7.737  -3.356
  486    HB3  PHE  83           HB3      PHE  83 -11.554   6.481  -3.736
  487    H    GLU  84           HN       GLU  84 -14.216   7.317  -3.735
  488    HA   GLU  84           HA       GLU  84 -14.978   6.219  -6.299
  489    HB2  GLU  84           HB2      GLU  84 -16.552   6.286  -3.718
  490    HB3  GLU  84           HB3      GLU  84 -16.834   5.232  -5.090
  491    HG2  GLU  84           HG2      GLU  84 -14.471   5.167  -3.230
  492    HG3  GLU  84           HG3      GLU  84 -15.802   4.017  -3.285
  493    H    ASP  85           HN       ASP  85 -15.471   9.023  -4.531
  494    HA   ASP  85           HA       ASP  85 -18.089   9.714  -5.612
  495    HB2  ASP  85           HB2      ASP  85 -17.844  10.057  -3.251
  496    HB3  ASP  85           HB3      ASP  85 -16.325  10.920  -3.471
  497    H    VAL  86           HN       VAL  86 -15.000  11.439  -5.149
  498    HA   VAL  86           HA       VAL  86 -15.647  13.235  -7.342
  499    HB   VAL  86           HB       VAL  86 -13.149  13.168  -5.644
  500   HG11  VAL  86          HG11      VAL  86 -12.822  14.349  -7.713
  501   HG12  VAL  86          HG12      VAL  86 -14.296  15.284  -7.460
  502   HG13  VAL  86          HG13      VAL  86 -12.911  15.513  -6.391
  503   HG21  VAL  86          HG23      VAL  86 -14.152  14.971  -4.344
  504   HG22  VAL  86          HG21      VAL  86 -15.635  14.840  -5.287
  505   HG23  VAL  86          HG22      VAL  86 -15.130  13.506  -4.247
  506    H    GLY  87           HN       GLY  87 -13.277  10.757  -6.518
  507    HA2  GLY  87           HA1      GLY  87 -12.343   9.200  -7.940
  508    HA3  GLY  87           HA2      GLY  87 -13.139  10.004  -9.279
  509    H    HIS  88           HN       HIS  88 -11.437  12.302  -7.597
  510    HA   HIS  88           HA       HIS  88  -9.661  13.594  -8.165
  511    HD1  HIS  88           HD1      HIS  88  -8.837  10.370  -5.979
  512    HD2  HIS  88           HD2      HIS  88  -6.654  13.796  -6.914
  513    HE1  HIS  88           HE1      HIS  88  -7.688  11.097  -3.822
  514    HB2  HIS  88           HB2      HIS  88  -8.556  10.830  -8.541
  515    HB3  HIS  88           HB3      HIS  88  -7.585  12.220  -9.007
  516    H    SER  89           HN       SER  89  -7.864  13.736 -10.167
  517    HA   SER  89           HA       SER  89  -9.499  13.505 -12.600
  518    HG   SER  89           HG       SER  89  -6.605  16.128 -12.254
  519    HB2  SER  89           HB2      SER  89  -8.204  15.496 -13.450
  520    HB3  SER  89           HB3      SER  89  -9.293  15.824 -12.104
  521    H    THR  90           HN       THR  90  -7.820  13.917 -14.597
  522    HA   THR  90           HA       THR  90  -6.382  11.464 -14.720
  523    HB   THR  90           HB       THR  90  -6.236  13.783 -16.676
  524    HG1  THR  90           HG1      THR  90  -7.951  12.729 -17.734
  525   HG21  THR  90          HG23      THR  90  -5.708  10.824 -17.022
  526   HG22  THR  90          HG21      THR  90  -4.481  12.087 -16.959
  527   HG23  THR  90          HG22      THR  90  -5.628  12.040 -18.298
  528    H    ASP  91           HN       ASP  91  -4.886  11.632 -13.026
  529    HA   ASP  91           HA       ASP  91  -2.292  12.260 -13.842
  530    HB2  ASP  91           HB2      ASP  91  -2.980  14.609 -13.400
  531    HB3  ASP  91           HB3      ASP  91  -3.376  14.170 -11.740
  532    H    ALA  92           HN       ALA  92  -4.028  12.566 -10.779
  533    HA   ALA  92           HA       ALA  92  -2.212  11.138  -9.205
  534    HB1  ALA  92           HB3      ALA  92  -5.146  11.664  -8.742
  535    HB2  ALA  92           HB1      ALA  92  -4.021  11.074  -7.518
  536    HB3  ALA  92           HB2      ALA  92  -3.803  12.678  -8.221
  537    H    ARG  93           HN       ARG  93  -4.669  10.053 -11.312
  538    HA   ARG  93           HA       ARG  93  -5.151   7.489 -10.191
  539    HE   ARG  93           HE       ARG  93  -9.344   9.860 -11.386
  540    HB2  ARG  93           HB2      ARG  93  -5.484   8.592 -12.989
  541    HB3  ARG  93           HB3      ARG  93  -6.062   7.007 -12.478
  542    HG2  ARG  93           HG2      ARG  93  -7.643   7.949 -11.006
  543    HG3  ARG  93           HG3      ARG  93  -6.903   9.547 -11.110
  544    HD2  ARG  93           HD2      ARG  93  -7.568   9.717 -13.442
  545    HD3  ARG  93           HD3      ARG  93  -8.262   8.099 -13.372
  546   HH11  ARG  93          HH12      ARG  93  -9.625   8.845 -14.726
  547   HH12  ARG  93          HH11      ARG  93 -11.272   9.362 -14.873
  548   HH21  ARG  93          HH22      ARG  93 -11.480  10.544 -11.569
  549   HH22  ARG  93          HH21      ARG  93 -12.339  10.354 -13.069
  550    H    GLU  94           HN       GLU  94  -2.524   8.850 -11.740
  551    HA   GLU  94           HA       GLU  94  -1.405   6.245 -12.537
  552    HB2  GLU  94           HB2      GLU  94  -1.737   8.707 -14.002
  553    HB3  GLU  94           HB3      GLU  94  -0.025   8.344 -13.844
  554    HG2  GLU  94           HG2      GLU  94  -2.078   6.417 -14.906
  555    HG3  GLU  94           HG3      GLU  94  -1.065   7.456 -15.908
  556    H    MET  95           HN       MET  95  -0.863   9.445 -11.297
  557    HA   MET  95           HA       MET  95   1.860   9.402 -10.789
  558    HB2  MET  95           HB2      MET  95   0.480  11.431 -10.867
  559    HB3  MET  95           HB3      MET  95  -0.356  10.930  -9.406
  560    HG2  MET  95           HG2      MET  95   1.262  12.631  -8.887
  561    HG3  MET  95           HG3      MET  95   1.736  11.101  -8.153
  562    HE1  MET  95           HE3      MET  95   3.677  12.715 -12.015
  563    HE2  MET  95           HE1      MET  95   2.043  12.057 -11.929
  564    HE3  MET  95           HE2      MET  95   2.415  13.596 -11.151
  565    H    SER  96           HN       SER  96  -0.785   8.059  -8.993
  566    HA   SER  96           HA       SER  96   0.297   8.404  -6.397
  567    HG   SER  96           HG       SER  96  -2.251   5.575  -6.894
  568    HB2  SER  96           HB2      SER  96  -1.621   7.129  -5.637
  569    HB3  SER  96           HB3      SER  96  -2.121   8.278  -6.876
  570    H    LYS  97           HN       LYS  97   0.958   6.216  -8.810
  571    HA   LYS  97           HA       LYS  97   1.051   3.729  -7.529
  572    HB2  LYS  97           HB2      LYS  97   2.653   4.722  -9.894
  573    HB3  LYS  97           HB3      LYS  97   2.486   3.038  -9.423
  574    HG2  LYS  97           HG2      LYS  97   0.055   3.189  -9.841
  575    HG3  LYS  97           HG3      LYS  97   0.272   4.857 -10.368
  576    HD2  LYS  97           HD2      LYS  97   1.384   2.368 -11.667
  577    HD3  LYS  97           HD3      LYS  97   0.159   3.462 -12.315
  578    HE2  LYS  97           HE2      LYS  97   1.908   5.279 -12.235
  579    HE3  LYS  97           HE3      LYS  97   3.084   4.015 -11.876
  580    HZ1  LYS  97           HZ3      LYS  97   2.436   2.920 -13.974
  581    HZ2  LYS  97           HZ1      LYS  97   3.078   4.471 -14.220
  582    HZ3  LYS  97           HZ2      LYS  97   1.405   4.227 -14.320
  583    H    THR  98           HN       THR  98   3.233   6.378  -7.547
  584    HA   THR  98           HA       THR  98   5.522   4.861  -6.643
  585    HB   THR  98           HB       THR  98   5.347   7.871  -6.671
  586    HG1  THR  98           HG1      THR  98   6.254   7.386  -8.969
  587   HG21  THR  98          HG23      THR  98   7.573   5.920  -7.262
  588   HG22  THR  98          HG21      THR  98   7.378   6.854  -5.780
  589   HG23  THR  98          HG22      THR  98   7.712   7.678  -7.305
  590    H    PHE  99           HN       PHE  99   2.777   6.009  -5.210
  591    HA   PHE  99           HA       PHE  99   4.069   6.576  -2.633
  592    HD1  PHE  99           HD1      PHE  99   3.571   9.082  -1.544
  593    HD2  PHE  99           HD2      PHE  99   1.627   8.643  -5.304
  594    HE1  PHE  99           HE1      PHE  99   4.301  11.338  -2.179
  595    HE2  PHE  99           HE2      PHE  99   2.363  10.899  -5.947
  596    HZ   PHE  99           HZ       PHE  99   3.730  12.242  -4.375
  597    HB2  PHE  99           HB2      PHE  99   1.245   7.075  -3.604
  598    HB3  PHE  99           HB3      PHE  99   1.785   7.367  -1.955
  599    H    ILE 100           HN       ILE 100   2.521   4.160  -4.369
  600    HA   ILE 100           HA       ILE 100   1.096   2.855  -2.257
  601    HB   ILE 100           HB       ILE 100   2.122   1.584  -4.807
  602   HG12  ILE 100          HG12      ILE 100  -0.500   3.013  -4.313
  603   HG13  ILE 100          HG13      ILE 100   0.763   3.496  -5.440
  604   HG21  ILE 100          HG21      ILE 100  -0.169   0.814  -3.007
  605   HG22  ILE 100          HG22      ILE 100   0.340  -0.024  -4.471
  606   HG23  ILE 100          HG23      ILE 100   1.405   0.021  -3.066
  607   HD11  ILE 100          HD13      ILE 100   0.352   1.472  -6.759
  608   HD12  ILE 100          HD11      ILE 100  -0.916   0.998  -5.628
  609   HD13  ILE 100          HD12      ILE 100  -1.104   2.458  -6.601
  610    H    ILE 101           HN       ILE 101   2.417   2.384  -0.522
  611    HA   ILE 101           HA       ILE 101   5.071   1.389  -0.962
  612    HB   ILE 101           HB       ILE 101   5.142   1.074   1.517
  613   HG12  ILE 101          HG12      ILE 101   2.413   2.381   1.400
  614   HG13  ILE 101          HG13      ILE 101   2.722   0.706   1.844
  615   HG21  ILE 101          HG21      ILE 101   5.926   3.111   0.408
  616   HG22  ILE 101          HG22      ILE 101   4.316   3.812   0.574
  617   HG23  ILE 101          HG23      ILE 101   5.270   3.438   2.012
  618   HD11  ILE 101          HD13      ILE 101   3.629   3.147   3.348
  619   HD12  ILE 101          HD11      ILE 101   2.340   2.035   3.815
  620   HD13  ILE 101          HD12      ILE 101   4.015   1.482   3.779
  621    H    GLY 102           HN       GLY 102   1.952  -0.013  -0.648
  622    HA2  GLY 102           HA1      GLY 102   2.704  -2.465  -1.639
  623    HA3  GLY 102           HA2      GLY 102   2.850  -2.630   0.104
  624    H    GLU 103           HN       GLU 103   1.231  -4.253  -0.060
  625    HA   GLU 103           HA       GLU 103  -1.489  -3.120  -0.199
  626    HB2  GLU 103           HB2      GLU 103  -0.587  -5.941  -0.825
  627    HB3  GLU 103           HB3      GLU 103  -2.271  -5.425  -0.752
  628    HG2  GLU 103           HG2      GLU 103  -1.876  -3.853  -2.565
  629    HG3  GLU 103           HG3      GLU 103  -0.186  -4.333  -2.631
  630    H    LEU 104           HN       LEU 104  -2.793  -5.362   1.042
  631    HA   LEU 104           HA       LEU 104  -1.800  -4.903   3.762
  632    HG   LEU 104           HG       LEU 104  -4.538  -3.505   2.438
  633    HB2  LEU 104           HB2      LEU 104  -4.543  -5.800   2.886
  634    HB3  LEU 104           HB3      LEU 104  -4.036  -5.570   4.550
  635   HD11  LEU 104          HD11      LEU 104  -5.418  -3.833   5.300
  636   HD12  LEU 104          HD12      LEU 104  -5.829  -2.465   4.262
  637   HD13  LEU 104          HD13      LEU 104  -6.397  -4.083   3.856
  638   HD21  LEU 104          HD23      LEU 104  -3.575  -1.825   3.959
  639   HD22  LEU 104          HD21      LEU 104  -2.921  -3.131   4.947
  640   HD23  LEU 104          HD22      LEU 104  -2.367  -2.920   3.285
  641    H    HIS 105           HN       HIS 105  -2.068  -6.659   5.358
  642    HA   HIS 105           HA       HIS 105  -0.768  -9.037   4.449
  643    HD1  HIS 105           HD1      HIS 105   0.516 -10.628   7.740
  644    HD2  HIS 105           HD2      HIS 105   0.927  -6.768   6.236
  645    HE1  HIS 105           HE1      HIS 105   2.914  -9.987   8.137
  646    HE2  HIS 105           HE2      HIS 105   3.103  -7.610   7.336
  647    HB2  HIS 105           HB2      HIS 105  -1.723  -7.935   7.029
  648    HB3  HIS 105           HB3      HIS 105  -1.657  -9.687   6.946
  649    HA   PRO 106           HA       PRO 106  -3.899 -12.254   3.848
  650    HB2  PRO 106           HB2      PRO 106  -3.405 -13.077   6.661
  651    HB3  PRO 106           HB3      PRO 106  -3.408 -14.051   5.191
  652    HG2  PRO 106           HG2      PRO 106  -1.161 -13.110   6.503
  653    HG3  PRO 106           HG3      PRO 106  -1.210 -13.695   4.835
  654    HD2  PRO 106           HD2      PRO 106  -0.698 -11.041   5.752
  655    HD3  PRO 106           HD3      PRO 106  -0.806 -11.616   4.079
  656    H    ASP 107           HN       ASP 107  -4.068 -10.143   6.620
  657    HA   ASP 107           HA       ASP 107  -6.554 -11.050   7.694
  658    HB2  ASP 107           HB2      ASP 107  -6.432  -9.060   9.106
  659    HB3  ASP 107           HB3      ASP 107  -4.876  -9.877   9.071
  660    H    ASP 108           HN       ASP 108  -5.651  -9.083   5.106
  661    HA   ASP 108           HA       ASP 108  -8.450  -8.306   4.643
  662    HB2  ASP 108           HB2      ASP 108  -7.012  -6.415   5.526
  663    HB3  ASP 108           HB3      ASP 108  -6.099  -6.534   4.021
  664    H    ARG 109           HN       ARG 109  -5.449  -9.462   3.418
  665    HA   ARG 109           HA       ARG 109  -5.445  -8.615   0.808
  666    HE   ARG 109           HE       ARG 109  -3.060 -12.781   0.944
  667    HB2  ARG 109           HB2      ARG 109  -3.645  -9.840   2.123
  668    HB3  ARG 109           HB3      ARG 109  -4.451 -11.334   1.675
  669    HG2  ARG 109           HG2      ARG 109  -4.062 -10.834  -0.678
  670    HG3  ARG 109           HG3      ARG 109  -3.313  -9.300  -0.228
  671    HD2  ARG 109           HD2      ARG 109  -1.548 -10.836  -0.647
  672    HD3  ARG 109           HD3      ARG 109  -1.637 -10.608   1.099
  673   HH11  ARG 109          HH12      ARG 109  -0.258 -12.001  -0.982
  674   HH12  ARG 109          HH11      ARG 109   0.243 -13.655  -1.180
  675   HH21  ARG 109          HH22      ARG 109  -2.375 -14.995   0.753
  676   HH22  ARG 109          HH21      ARG 109  -0.934 -15.351  -0.155
  677    HA   PRO 110           HA       PRO 110  -8.508 -11.906  -0.518
  678    HB2  PRO 110           HB2      PRO 110  -9.056 -14.080   0.901
  679    HB3  PRO 110           HB3      PRO 110  -7.547 -13.945  -0.012
  680    HG2  PRO 110           HG2      PRO 110  -7.997 -13.776   2.910
  681    HG3  PRO 110           HG3      PRO 110  -6.556 -14.290   2.023
  682    HD2  PRO 110           HD2      PRO 110  -7.085 -11.725   3.185
  683    HD3  PRO 110           HD3      PRO 110  -5.661 -12.227   2.251
  684    H    LYS 111           HN       LYS 111  -8.652 -10.762   2.699
  685    HA   LYS 111           HA       LYS 111 -10.263 -10.104   4.148
  686    HB2  LYS 111           HB2      LYS 111 -11.913 -10.098   1.627
  687    HB3  LYS 111           HB3      LYS 111 -12.610  -9.689   3.186
  688    HG2  LYS 111           HG2      LYS 111 -10.890  -7.880   3.393
  689    HG3  LYS 111           HG3      LYS 111 -10.405  -8.239   1.735
  690    HD2  LYS 111           HD2      LYS 111 -12.694  -7.757   0.975
  691    HD3  LYS 111           HD3      LYS 111 -13.154  -7.356   2.629
  692    HE2  LYS 111           HE2      LYS 111 -11.033  -5.940   1.010
  693    HE3  LYS 111           HE3      LYS 111 -12.675  -5.353   1.260
  694    HZ1  LYS 111           HZ3      LYS 111 -10.616  -5.763   3.380
  695    HZ2  LYS 111           HZ1      LYS 111 -12.211  -5.251   3.659
  696    HZ3  LYS 111           HZ2      LYS 111 -11.149  -4.279   2.771
  697    H    LEU 112           HN       LEU 112 -12.175 -12.165   2.018
  698    HA   LEU 112           HA       LEU 112 -12.893 -13.818   4.338
  699    HG   LEU 112           HG       LEU 112 -13.983 -14.150   0.793
  700    HB2  LEU 112           HB2      LEU 112 -14.940 -14.393   3.229
  701    HB3  LEU 112           HB3      LEU 112 -14.784 -12.652   3.268
  702   HD11  LEU 112          HD11      LEU 112 -16.218 -14.987   1.388
  703   HD12  LEU 112          HD12      LEU 112 -16.807 -13.327   1.466
  704   HD13  LEU 112          HD13      LEU 112 -16.241 -13.991  -0.066
  705   HD21  LEU 112          HD23      LEU 112 -14.963 -11.375   1.424
  706   HD22  LEU 112          HD21      LEU 112 -13.449 -11.858   0.664
  707   HD23  LEU 112          HD22      LEU 112 -14.959 -12.018  -0.218
  708    H    ASN 113           HN       ASN 113 -12.047 -13.968   0.900
  709    HA   ASN 113           HA       ASN 113 -10.522 -16.336   1.224
  710    HB2  ASN 113           HB2      ASN 113 -12.865 -17.281   1.278
  711    HB3  ASN 113           HB3      ASN 113 -13.066 -16.710  -0.374
  712   HD21  ASN 113          HD21      ASN 113 -13.322 -18.701  -1.269
  713   HD22  ASN 113          HD22      ASN 113 -12.051 -19.871  -1.375
  714    H    LYS 114           HN       LYS 114 -12.053 -13.940  -0.703
  715    HA   LYS 114           HA       LYS 114 -11.315 -12.677  -2.417
  716    HB2  LYS 114           HB2      LYS 114  -9.048 -12.710  -1.737
  717    HB3  LYS 114           HB3      LYS 114  -8.862 -14.403  -2.183
  718    HG2  LYS 114           HG2      LYS 114  -8.909 -13.893  -4.490
  719    HG3  LYS 114           HG3      LYS 114  -9.405 -12.227  -4.178
  720    HD2  LYS 114           HD2      LYS 114  -7.289 -11.695  -3.230
  721    HD3  LYS 114           HD3      LYS 114  -6.817 -13.398  -3.199
  722    HE2  LYS 114           HE2      LYS 114  -5.817 -12.025  -5.060
  723    HE3  LYS 114           HE3      LYS 114  -6.648 -13.501  -5.549
  724    HZ1  LYS 114           HZ3      LYS 114  -7.898 -10.808  -5.613
  725    HZ2  LYS 114           HZ1      LYS 114  -8.522 -12.239  -6.268
  726    HZ3  LYS 114           HZ2      LYS 114  -7.144 -11.522  -6.946
  727    HA   PRO 115           HA       PRO 115 -12.767 -15.250  -5.728
  728    HB2  PRO 115           HB2      PRO 115 -13.685 -13.198  -7.250
  729    HB3  PRO 115           HB3      PRO 115 -14.564 -13.845  -5.864
  730    HG2  PRO 115           HG2      PRO 115 -13.109 -11.303  -6.141
  731    HG3  PRO 115           HG3      PRO 115 -14.406 -11.740  -5.019
  732    HD2  PRO 115           HD2      PRO 115 -11.606 -11.620  -4.496
  733    HD3  PRO 115           HD3      PRO 115 -12.891 -12.144  -3.392
  734    HA   PRO 116           HA       PRO 116  -9.357 -14.606  -8.564
  735    HB2  PRO 116           HB2      PRO 116  -9.659 -17.055  -9.773
  736    HB3  PRO 116           HB3      PRO 116  -8.823 -16.798  -8.241
  737    HG2  PRO 116           HG2      PRO 116 -11.318 -18.170  -8.710
  738    HG3  PRO 116           HG3      PRO 116 -10.409 -18.005  -7.201
  739    HD2  PRO 116           HD2      PRO 116 -12.753 -16.499  -8.140
  740    HD3  PRO 116           HD3      PRO 116 -12.109 -16.674  -6.494
  741    H    GLU 117           HN       GLU 117  -9.277 -15.647 -11.104
  742    HA   GLU 117           HA       GLU 117 -11.025 -13.867 -12.522
  743    HB2  GLU 117           HB2      GLU 117  -8.955 -15.851 -13.452
  744    HB3  GLU 117           HB3      GLU 117  -9.872 -14.831 -14.549
  745    HG2  GLU 117           HG2      GLU 117  -8.948 -12.846 -13.453
  746    HG3  GLU 117           HG3      GLU 117  -8.007 -13.889 -12.386
  747    H    THR 118           HN       THR 118 -10.365 -17.294 -13.227
  748    HA   THR 118           HA       THR 118 -12.959 -17.476 -14.529
  749    HB   THR 118           HB       THR 118 -11.010 -18.216 -15.804
  750    HG1  THR 118           HG1      THR 118 -11.796 -20.321 -16.373
  751   HG21  THR 118          HG23      THR 118  -9.581 -18.906 -13.976
  752   HG22  THR 118          HG21      THR 118  -9.752 -20.222 -15.138
  753   HG23  THR 118          HG22      THR 118 -10.649 -20.263 -13.620
  754    H    LEU 119           HN       LEU 119 -13.665 -20.031 -14.407
  755    HA   LEU 119           HA       LEU 119 -15.112 -20.079 -11.983
  756    HG   LEU 119           HG       LEU 119 -17.040 -20.349 -13.558
  757    HB2  LEU 119           HB2      LEU 119 -14.729 -22.198 -14.104
  758    HB3  LEU 119           HB3      LEU 119 -15.787 -22.403 -12.727
  759   HD11  LEU 119          HD11      LEU 119 -15.513 -19.384 -15.100
  760   HD12  LEU 119          HD12      LEU 119 -15.357 -20.901 -15.990
  761   HD13  LEU 119          HD13      LEU 119 -16.873 -20.007 -16.031
  762   HD21  LEU 119          HD23      LEU 119 -17.007 -22.883 -15.191
  763   HD22  LEU 119          HD21      LEU 119 -17.958 -22.572 -13.739
  764   HD23  LEU 119          HD22      LEU 119 -18.295 -21.680 -15.223
  765    H    ILE 120           HN       ILE 120 -13.062 -22.710 -13.178
  766    HA   ILE 120           HA       ILE 120 -11.890 -23.001 -10.496
  767    HB   ILE 120           HB       ILE 120 -12.889 -25.294 -12.213
  768   HG12  ILE 120          HG12      ILE 120 -14.747 -24.107 -11.098
  769   HG13  ILE 120          HG13      ILE 120 -14.525 -25.717 -10.428
  770   HG21  ILE 120          HG21      ILE 120 -10.874 -25.909 -11.032
  771   HG22  ILE 120          HG22      ILE 120 -11.549 -25.318  -9.513
  772   HG23  ILE 120          HG23      ILE 120 -12.262 -26.721 -10.307
  773   HD11  ILE 120          HD13      ILE 120 -13.644 -23.122  -9.189
  774   HD12  ILE 120          HD11      ILE 120 -14.972 -24.158  -8.665
  775   HD13  ILE 120          HD12      ILE 120 -13.308 -24.724  -8.535
  776    H    THR 121           HN       THR 121  -9.703 -23.541 -10.539
  777    HA   THR 121           HA       THR 121  -8.454 -23.083 -13.114
  778    HB   THR 121           HB       THR 121  -6.346 -23.145 -11.581
  779    HG1  THR 121           HG1      THR 121  -6.998 -22.485  -9.411
  780   HG21  THR 121          HG23      THR 121  -6.704 -20.783 -11.095
  781   HG22  THR 121          HG21      THR 121  -8.437 -20.982 -11.353
  782   HG23  THR 121          HG22      THR 121  -7.319 -21.182 -12.701
  783    H    THR 122           HN       THR 122  -9.683 -25.724 -12.423
  784    HA   THR 122           HA       THR 122  -7.499 -27.301 -13.479
  785    HB   THR 122           HB       THR 122  -8.289 -29.166 -11.760
  786    HG1  THR 122           HG1      THR 122  -9.733 -27.519 -10.772
  787   HG21  THR 122          HG23      THR 122  -5.974 -28.385 -12.084
  788   HG22  THR 122          HG21      THR 122  -6.344 -28.649 -10.380
  789   HG23  THR 122          HG22      THR 122  -6.300 -27.010 -11.027
  790    H    ILE 123           HN       ILE 123  -8.262 -28.464 -15.068
  791    HA   ILE 123           HA       ILE 123  -9.591 -29.356 -16.619
  792    HB   ILE 123           HB       ILE 123 -11.163 -31.039 -16.062
  793   HG12  ILE 123          HG12      ILE 123 -11.122 -30.096 -13.185
  794   HG13  ILE 123          HG13      ILE 123 -12.448 -29.821 -14.311
  795   HG21  ILE 123          HG21      ILE 123  -8.911 -30.987 -14.069
  796   HG22  ILE 123          HG22      ILE 123  -9.854 -32.414 -14.505
  797   HG23  ILE 123          HG23      ILE 123  -8.856 -31.613 -15.717
  798   HD11  ILE 123          HD13      ILE 123 -12.798 -32.216 -14.501
  799   HD12  ILE 123          HD11      ILE 123 -11.447 -32.510 -13.407
  800   HD13  ILE 123          HD12      ILE 123 -12.897 -31.694 -12.819
  801    H    ASP 124           HN       ASP 124 -10.939 -28.632 -18.025
  802    HA   ASP 124           HA       ASP 124 -12.646 -26.434 -17.480
  803    HB2  ASP 124           HB2      ASP 124 -12.447 -28.184 -19.948
  804    HB3  ASP 124           HB3      ASP 124 -13.290 -26.641 -19.867
  805    H    SER 125           HN       SER 125 -13.031 -29.777 -17.252
  806    HA   SER 125           HA       SER 125 -14.636 -30.973 -16.217
  807    HG   SER 125           HG       SER 125 -16.746 -30.122 -14.128
  808    HB2  SER 125           HB2      SER 125 -15.088 -29.051 -14.796
  809    HB3  SER 125           HB3      SER 125 -16.120 -28.343 -16.036
  810    H    SER 126           HN       SER 126 -16.777 -28.696 -17.946
  811    HA   SER 126           HA       SER 126 -17.938 -31.062 -19.261
  812    HG   SER 126           HG       SER 126 -18.957 -28.789 -16.567
  813    HB2  SER 126           HB2      SER 126 -20.181 -29.824 -18.841
  814    HB3  SER 126           HB3      SER 126 -19.421 -30.654 -17.481
  815    H    SER 127           HN       SER 127 -18.318 -27.516 -19.237
  816    HA   SER 127           HA       SER 127 -19.075 -27.435 -21.981
  817    HG   SER 127           HG       SER 127 -20.149 -25.062 -22.236
  818    HB2  SER 127           HB2      SER 127 -19.777 -25.786 -20.208
  819    HB3  SER 127           HB3      SER 127 -18.141 -25.134 -20.255
  820    H    SER 128           HN       SER 128 -17.486 -28.320 -23.234
  821    HA   SER 128           HA       SER 128 -14.843 -27.036 -23.160
  822    HG   SER 128           HG       SER 128 -16.651 -30.014 -23.512
  823    HB2  SER 128           HB2      SER 128 -14.048 -29.170 -24.280
  824    HB3  SER 128           HB3      SER 128 -14.577 -29.341 -22.608
  825    HHA  HEM 129           HHA      HEM 129  -5.686  17.510  -6.208
  826    HHB  HEM 129           HHB      HEM 129  -1.878  12.312  -5.864
  827    HHC  HEM 129           HHC      HEM 129  -5.190  10.285  -0.759
  828    HHD  HEM 129           HHD      HEM 129  -9.305  15.221  -1.413
  829    HAB  HEM 129           HAB      HEM 129  -2.706   9.125  -0.859
  830    HAC  HEM 129           HAC      HEM 129 -10.265  13.549   0.150
  831   HMA1  HEM 129          HMA1      HEM 129  -1.596  15.091  -8.560
  832   HMA2  HEM 129          HMA2      HEM 129  -0.783  14.395  -7.156
  833   HMA3  HEM 129          HMA3      HEM 129  -1.796  13.381  -8.193
  834   HAA1  HEM 129          HAA1      HEM 129  -3.049  17.552  -8.031
  835   HAA2  HEM 129          HAA2      HEM 129  -3.185  16.222  -8.701
  836   HBA1  HEM 129          HBA1      HEM 129  -5.009  17.799  -9.540
  837   HBA2  HEM 129          HBA2      HEM 129  -5.814  16.385  -8.827
  838   HMB1  HEM 129          HMB1      HEM 129  -0.290  10.436  -3.814
  839   HMB2  HEM 129          HMB2      HEM 129  -1.297   9.563  -5.147
  840   HMB3  HEM 129          HMB3      HEM 129  -1.300   9.351  -3.636
  841   HBB1  HEM 129          HBB1      HEM 129  -3.654   7.773  -3.421
  842   HBB2  HEM 129          HBB2      HEM 129  -3.056   6.972  -1.841
  843   HMC1  HEM 129          HMC1      HEM 129  -6.788  11.439   1.969
  844   HMC2  HEM 129          HMC2      HEM 129  -8.108  10.535   1.221
  845   HMC3  HEM 129          HMC3      HEM 129  -6.389  10.210   0.793
  846   HBC1  HEM 129          HBC1      HEM 129 -10.275  13.364   2.513
  847   HBC2  HEM 129          HBC2      HEM 129  -8.498  12.848   2.545
  848   HMD1  HEM 129          HMD1      HEM 129 -10.063  17.223  -1.781
  849   HMD2  HEM 129          HMD2      HEM 129 -10.200  18.413  -3.222
  850   HMD3  HEM 129          HMD3      HEM 129  -9.058  18.264  -2.246
  851   HAD1  HEM 129          HAD1      HEM 129  -8.616  18.565  -6.101
  852   HAD2  HEM 129          HAD2      HEM 129  -8.875  18.850  -4.640
  853   HBD1  HEM 129          HBD1      HEM 129  -7.545  20.705  -5.738
  854   HBD2  HEM 129          HBD2      HEM 129  -6.451  20.012  -4.528
  Start of MODEL   10
    1    HA   MET  21           HA       MET  21  -3.080  -8.098 -18.944
    2    H1   MET  21           1H       MET  21  -5.079  -7.627 -17.113
    3    HB2  MET  21           HB2      MET  21  -2.657  -7.588 -15.993
    4    HB3  MET  21           HB3      MET  21  -1.532  -7.218 -17.294
    5    HG2  MET  21           HG2      MET  21  -4.229  -5.946 -16.881
    6    HG3  MET  21           HG3      MET  21  -2.676  -5.226 -16.469
    7    HE1  MET  21           HE3      MET  21  -0.818  -5.992 -18.902
    8    HE2  MET  21           HE1      MET  21  -1.063  -4.597 -19.952
    9    HE3  MET  21           HE2      MET  21  -0.922  -4.370 -18.211
   10    H    ALA  22           HN       ALA  22  -2.673  -9.307 -15.667
   11    HA   ALA  22           HA       ALA  22  -2.308 -12.031 -16.630
   12    HB1  ALA  22           HB3      ALA  22  -0.177 -10.528 -15.102
   13    HB2  ALA  22           HB1      ALA  22  -0.186 -12.273 -15.345
   14    HB3  ALA  22           HB2      ALA  22  -0.048 -11.188 -16.728
   15    H    GLU  23           HN       GLU  23  -1.425 -10.459 -13.573
   16    HA   GLU  23           HA       GLU  23  -3.822 -11.645 -12.371
   17    HB2  GLU  23           HB2      GLU  23  -0.998 -11.787 -11.464
   18    HB3  GLU  23           HB3      GLU  23  -2.213 -11.532 -10.218
   19    HG2  GLU  23           HG2      GLU  23  -2.345 -13.764 -12.235
   20    HG3  GLU  23           HG3      GLU  23  -1.598 -13.922 -10.647
   21    H    GLN  24           HN       GLN  24  -3.167 -10.450  -9.804
   22    HA   GLN  24           HA       GLN  24  -4.197  -7.755 -10.419
   23    HB2  GLN  24           HB2      GLN  24  -4.567  -9.310  -7.862
   24    HB3  GLN  24           HB3      GLN  24  -5.511  -7.940  -8.445
   25    HG2  GLN  24           HG2      GLN  24  -6.662  -9.214  -9.983
   26    HG3  GLN  24           HG3      GLN  24  -5.418 -10.458 -10.039
   27   HE21  GLN  24          HE21      GLN  24  -6.650 -12.180  -9.609
   28   HE22  GLN  24          HE22      GLN  24  -7.503 -12.424  -8.123
   29    H    SER  25           HN       SER  25  -2.758  -6.133  -9.969
   30    HA   SER  25           HA       SER  25  -1.139  -4.911  -8.906
   31    HG   SER  25           HG       SER  25  -1.410  -4.575  -5.478
   32    HB2  SER  25           HB2      SER  25  -2.699  -5.849  -6.899
   33    HB3  SER  25           HB3      SER  25  -1.173  -6.605  -6.459
   34    H    ASP  26           HN       ASP  26  -0.128  -6.518 -10.639
   35    HA   ASP  26           HA       ASP  26   1.712  -7.595 -11.379
   36    HB2  ASP  26           HB2      ASP  26   2.741  -5.710  -9.963
   37    HB3  ASP  26           HB3      ASP  26   3.062  -6.950  -8.759
   38    H    GLU  27           HN       GLU  27   3.660  -9.181 -10.140
   39    HA   GLU  27           HA       GLU  27   2.140 -11.586  -9.787
   40    HB2  GLU  27           HB2      GLU  27   5.108 -11.121  -9.426
   41    HB3  GLU  27           HB3      GLU  27   4.319 -12.680  -9.603
   42    HG2  GLU  27           HG2      GLU  27   4.444 -10.515 -11.690
   43    HG3  GLU  27           HG3      GLU  27   5.414 -11.988 -11.661
   44    H    ALA  28           HN       ALA  28   4.112  -9.515  -7.752
   45    HA   ALA  28           HA       ALA  28   3.222 -10.999  -5.386
   46    HB1  ALA  28           HB3      ALA  28   6.082 -10.267  -6.009
   47    HB2  ALA  28           HB1      ALA  28   5.517 -10.948  -4.483
   48    HB3  ALA  28           HB2      ALA  28   5.400 -11.893  -5.969
   49    H    VAL  29           HN       VAL  29   1.991  -9.447  -4.485
   50    HA   VAL  29           HA       VAL  29   2.971  -6.720  -4.254
   51    HB   VAL  29           HB       VAL  29   0.604  -6.980  -4.749
   52   HG11  VAL  29          HG11      VAL  29  -0.936  -7.935  -3.061
   53   HG12  VAL  29          HG12      VAL  29   0.149  -9.125  -3.782
   54   HG13  VAL  29          HG13      VAL  29   0.467  -8.507  -2.161
   55   HG21  VAL  29          HG23      VAL  29   1.195  -5.030  -3.481
   56   HG22  VAL  29          HG21      VAL  29  -0.353  -5.644  -2.899
   57   HG23  VAL  29          HG22      VAL  29   1.118  -5.939  -1.970
   58    H    LYS  30           HN       LYS  30   3.652  -5.758  -2.392
   59    HA   LYS  30           HA       LYS  30   4.564  -7.482  -0.273
   60    HB2  LYS  30           HB2      LYS  30   5.637  -5.301  -1.348
   61    HB3  LYS  30           HB3      LYS  30   4.685  -4.490  -0.119
   62    HG2  LYS  30           HG2      LYS  30   6.713  -6.634   0.462
   63    HG3  LYS  30           HG3      LYS  30   7.063  -4.908   0.481
   64    HD2  LYS  30           HD2      LYS  30   5.187  -4.713   2.194
   65    HD3  LYS  30           HD3      LYS  30   5.267  -6.473   2.312
   66    HE2  LYS  30           HE2      LYS  30   6.643  -5.562   4.045
   67    HE3  LYS  30           HE3      LYS  30   7.703  -6.256   2.819
   68    HZ1  LYS  30           HZ3      LYS  30   8.461  -4.070   3.611
   69    HZ2  LYS  30           HZ1      LYS  30   7.031  -3.368   3.035
   70    HZ3  LYS  30           HZ2      LYS  30   8.132  -4.063   1.950
   71    H    TYR  31           HN       TYR  31   3.509  -7.842   1.658
   72    HA   TYR  31           HA       TYR  31   0.998  -6.361   2.039
   73    HD1  TYR  31           HD2      TYR  31  -0.634  -7.607   0.969
   74    HD2  TYR  31           HD1      TYR  31   1.817 -10.833   2.242
   75    HE1  TYR  31           HE2      TYR  31  -1.422  -8.957  -0.935
   76    HE2  TYR  31           HE1      TYR  31   1.051 -12.183   0.349
   77    HH   TYR  31           HH       TYR  31  -0.963 -12.271  -1.136
   78    HB2  TYR  31           HB2      TYR  31   1.883  -8.892   3.448
   79    HB3  TYR  31           HB3      TYR  31   0.306  -8.121   3.562
   80    H    TYR  32           HN       TYR  32   0.362  -5.610   4.096
   81    HA   TYR  32           HA       TYR  32   2.452  -5.463   6.150
   82    HD1  TYR  32           HD1      TYR  32   3.990  -3.060   6.751
   83    HD2  TYR  32           HD2      TYR  32   1.771  -2.934   3.129
   84    HE1  TYR  32           HE1      TYR  32   5.962  -2.159   5.581
   85    HE2  TYR  32           HE2      TYR  32   3.729  -2.029   1.951
   86    HH   TYR  32           HH       TYR  32   6.854  -1.963   3.359
   87    HB2  TYR  32           HB2      TYR  32   0.648  -3.218   5.228
   88    HB3  TYR  32           HB3      TYR  32   1.537  -3.174   6.748
   89    H    THR  33           HN       THR  33   0.909  -4.302   8.183
   90    HA   THR  33           HA       THR  33  -1.271  -6.274   8.419
   91    HB   THR  33           HB       THR  33  -1.070  -5.901  10.901
   92    HG1  THR  33           HG1      THR  33   1.238  -4.463  10.032
   93   HG21  THR  33          HG23      THR  33   1.346  -6.995   9.462
   94   HG22  THR  33          HG21      THR  33  -0.131  -7.879   9.851
   95   HG23  THR  33          HG22      THR  33   0.931  -7.318  11.144
   96    H    LEU  34           HN       LEU  34  -3.320  -5.631   8.890
   97    HA   LEU  34           HA       LEU  34  -4.244  -3.052   8.483
   98    HG   LEU  34           HG       LEU  34  -6.661  -2.955  10.400
   99    HB2  LEU  34           HB2      LEU  34  -5.620  -5.139   8.587
  100    HB3  LEU  34           HB3      LEU  34  -5.460  -5.111  10.333
  101   HD11  LEU  34          HD11      LEU  34  -6.076  -2.082   8.222
  102   HD12  LEU  34          HD12      LEU  34  -6.964  -3.386   7.433
  103   HD13  LEU  34          HD13      LEU  34  -7.831  -2.180   8.380
  104   HD21  LEU  34          HD23      LEU  34  -8.877  -3.841   9.790
  105   HD22  LEU  34          HD21      LEU  34  -8.095  -5.173   8.943
  106   HD23  LEU  34          HD22      LEU  34  -7.914  -5.016  10.687
  107    H    GLU  35           HN       GLU  35  -3.028  -4.630  11.278
  108    HA   GLU  35           HA       GLU  35  -3.732  -3.079  13.431
  109    HB2  GLU  35           HB2      GLU  35  -1.169  -4.558  12.843
  110    HB3  GLU  35           HB3      GLU  35  -1.517  -3.835  14.401
  111    HG2  GLU  35           HG2      GLU  35  -3.552  -5.304  14.503
  112    HG3  GLU  35           HG3      GLU  35  -2.923  -6.129  13.074
  113    H    GLU  36           HN       GLU  36  -1.006  -2.709  11.232
  114    HA   GLU  36           HA       GLU  36   0.198  -0.677  12.870
  115    HB2  GLU  36           HB2      GLU  36   2.054  -0.820  11.359
  116    HB3  GLU  36           HB3      GLU  36   1.487  -2.449  11.687
  117    HG2  GLU  36           HG2      GLU  36   0.298  -2.461   9.531
  118    HG3  GLU  36           HG3      GLU  36   0.929  -0.845   9.202
  119    H    ILE  37           HN       ILE  37  -1.637  -0.847   9.938
  120    HA   ILE  37           HA       ILE  37  -1.114   1.793   9.015
  121    HB   ILE  37           HB       ILE  37  -3.501   0.027   8.446
  122   HG12  ILE  37          HG12      ILE  37  -0.920   0.311   6.894
  123   HG13  ILE  37          HG13      ILE  37  -1.275  -1.029   7.978
  124   HG21  ILE  37          HG21      ILE  37  -2.351   2.381   6.949
  125   HG22  ILE  37          HG22      ILE  37  -3.634   1.330   6.350
  126   HG23  ILE  37          HG23      ILE  37  -3.905   2.319   7.784
  127   HD11  ILE  37          HD13      ILE  37  -2.809  -0.307   5.495
  128   HD12  ILE  37          HD11      ILE  37  -1.661  -1.636   5.667
  129   HD13  ILE  37          HD12      ILE  37  -3.168  -1.652   6.579
  130    H    GLN  38           HN       GLN  38  -3.289   0.386  11.316
  131    HA   GLN  38           HA       GLN  38  -4.906   2.706  11.735
  132    HB2  GLN  38           HB2      GLN  38  -4.293   0.278  13.418
  133    HB3  GLN  38           HB3      GLN  38  -5.380   1.551  13.939
  134    HG2  GLN  38           HG2      GLN  38  -5.754  -0.002  11.400
  135    HG3  GLN  38           HG3      GLN  38  -6.455  -0.484  12.943
  136   HE21  GLN  38          HE21      GLN  38  -6.146   2.841  11.793
  137   HE22  GLN  38          HE22      GLN  38  -7.842   3.125  11.628
  138    H    LYS  39           HN       LYS  39  -1.825   1.591  12.786
  139    HA   LYS  39           HA       LYS  39  -1.675   3.418  15.049
  140    HB2  LYS  39           HB2      LYS  39  -0.918   0.942  14.970
  141    HB3  LYS  39           HB3      LYS  39   0.464   1.539  14.067
  142    HG2  LYS  39           HG2      LYS  39   1.213   2.838  15.914
  143    HG3  LYS  39           HG3      LYS  39  -0.281   2.534  16.803
  144    HD2  LYS  39           HD2      LYS  39   1.518   1.119  17.647
  145    HD3  LYS  39           HD3      LYS  39   0.264   0.140  16.885
  146    HE2  LYS  39           HE2      LYS  39   1.655   0.154  14.797
  147    HE3  LYS  39           HE3      LYS  39   2.941   0.914  15.737
  148    HZ1  LYS  39           HZ3      LYS  39   3.285  -1.454  15.621
  149    HZ2  LYS  39           HZ1      LYS  39   1.736  -1.757  16.242
  150    HZ3  LYS  39           HZ2      LYS  39   2.914  -1.027  17.222
  151    H    HIS  40           HN       HIS  40  -1.315   3.663  11.861
  152    HA   HIS  40           HA       HIS  40   0.980   5.508  11.953
  153    HD1  HIS  40           HD1      HIS  40   1.845   1.628   9.691
  154    HD2  HIS  40           HD2      HIS  40   3.216   4.805  11.971
  155    HE1  HIS  40           HE1      HIS  40   4.061   0.880  10.615
  156    HE2  HIS  40           HE2      HIS  40   4.997   2.941  11.720
  157    HB2  HIS  40           HB2      HIS  40   0.160   3.466   9.904
  158    HB3  HIS  40           HB3      HIS  40   1.131   4.855   9.436
  159    H    ASN  41           HN       ASN  41  -1.941   6.001  12.280
  160    HA   ASN  41           HA       ASN  41  -2.662   7.331   9.756
  161    HB2  ASN  41           HB2      ASN  41  -4.939   7.109  10.441
  162    HB3  ASN  41           HB3      ASN  41  -4.165   5.568  10.793
  163   HD21  ASN  41          HD21      ASN  41  -6.553   6.909  11.920
  164   HD22  ASN  41          HD22      ASN  41  -6.288   6.955  13.626
  165    H    HIS  42           HN       HIS  42  -0.817   8.540  11.683
  166    HA   HIS  42           HA       HIS  42  -2.503  10.614  12.904
  167    HD1  HIS  42           HD1      HIS  42   1.172   9.385  12.828
  168    HD2  HIS  42           HD2      HIS  42  -0.466   7.295  16.021
  169    HE1  HIS  42           HE1      HIS  42   2.904   7.685  13.482
  170    HE2  HIS  42           HE2      HIS  42   1.784   6.295  15.262
  171    HB2  HIS  42           HB2      HIS  42  -1.045  10.445  14.948
  172    HB3  HIS  42           HB3      HIS  42  -2.106   9.072  14.665
  173    H    SER  43           HN       SER  43  -0.563  11.968  14.304
  174    HA   SER  43           HA       SER  43   0.313  13.782  12.399
  175    HG   SER  43           HG       SER  43   0.826  13.646  16.393
  176    HB2  SER  43           HB2      SER  43   1.718  14.646  14.382
  177    HB3  SER  43           HB3      SER  43  -0.032  14.576  14.588
  178    H    LYS  44           HN       LYS  44   2.305  11.555  14.342
  179    HA   LYS  44           HA       LYS  44   4.773  12.390  13.318
  180    HB2  LYS  44           HB2      LYS  44   3.782  10.342  15.106
  181    HB3  LYS  44           HB3      LYS  44   5.166   9.780  14.180
  182    HG2  LYS  44           HG2      LYS  44   6.389  11.823  14.915
  183    HG3  LYS  44           HG3      LYS  44   5.022  12.199  15.962
  184    HD2  LYS  44           HD2      LYS  44   5.328  10.097  17.148
  185    HD3  LYS  44           HD3      LYS  44   6.654   9.665  16.064
  186    HE2  LYS  44           HE2      LYS  44   6.603  12.013  17.958
  187    HE3  LYS  44           HE3      LYS  44   7.493  10.512  18.197
  188    HZ1  LYS  44           HZ3      LYS  44   9.006  12.097  17.372
  189    HZ2  LYS  44           HZ1      LYS  44   7.960  12.589  16.134
  190    HZ3  LYS  44           HZ2      LYS  44   8.685  11.054  16.074
  191    H    SER  45           HN       SER  45   2.472  10.419  11.851
  192    HA   SER  45           HA       SER  45   3.957  10.043   9.509
  193    HG   SER  45           HG       SER  45   4.256   7.906   8.475
  194    HB2  SER  45           HB2      SER  45   5.122   8.261  10.725
  195    HB3  SER  45           HB3      SER  45   3.583   7.548  11.200
  196    H    THR  46           HN       THR  46   2.522   9.722   7.856
  197    HA   THR  46           HA       THR  46  -0.264   9.244   8.703
  198    HB   THR  46           HB       THR  46   0.645  11.110   6.507
  199    HG1  THR  46           HG1      THR  46   0.270  11.451   9.243
  200   HG21  THR  46          HG23      THR  46  -1.638  10.151   6.261
  201   HG22  THR  46          HG21      THR  46  -1.625  11.900   6.472
  202   HG23  THR  46          HG22      THR  46  -2.065  10.856   7.822
  203    H    TRP  47           HN       TRP  47  -0.517   7.142   8.054
  204    HA   TRP  47           HA       TRP  47  -0.104   6.568   5.211
  205    HD1  TRP  47           HD1      TRP  47   2.028   6.529   6.287
  206    HE1  TRP  47           HE1      TRP  47   4.232   5.215   6.509
  207    HE3  TRP  47           HE3      TRP  47   0.093   1.861   6.992
  208    HZ2  TRP  47           HZ2      TRP  47   5.035   2.526   6.914
  209    HZ3  TRP  47           HZ3      TRP  47   1.639  -0.032   7.273
  210    HH2  TRP  47           HH2      TRP  47   4.058   0.297   7.233
  211    HB2  TRP  47           HB2      TRP  47  -0.749   4.761   7.542
  212    HB3  TRP  47           HB3      TRP  47  -0.822   4.219   5.868
  213    H    LEU  48           HN       LEU  48  -1.858   5.399   4.096
  214    HA   LEU  48           HA       LEU  48  -4.485   5.446   5.230
  215    HG   LEU  48           HG       LEU  48  -3.988   6.428   1.680
  216    HB2  LEU  48           HB2      LEU  48  -5.594   6.838   3.646
  217    HB3  LEU  48           HB3      LEU  48  -4.297   7.774   4.359
  218   HD11  LEU  48          HD11      LEU  48  -5.946   7.875   1.554
  219   HD12  LEU  48          HD12      LEU  48  -5.022   9.206   2.248
  220   HD13  LEU  48          HD13      LEU  48  -4.595   8.570   0.660
  221   HD21  LEU  48          HD23      LEU  48  -1.939   7.183   2.788
  222   HD22  LEU  48          HD21      LEU  48  -2.284   8.142   1.349
  223   HD23  LEU  48          HD22      LEU  48  -2.619   8.799   2.952
  224    H    ILE  49           HN       ILE  49  -6.086   4.616   3.495
  225    HA   ILE  49           HA       ILE  49  -4.680   2.848   1.598
  226    HB   ILE  49           HB       ILE  49  -7.266   2.140   3.007
  227   HG12  ILE  49          HG12      ILE  49  -4.484   1.135   3.641
  228   HG13  ILE  49          HG13      ILE  49  -5.358   2.314   4.610
  229   HG21  ILE  49          HG21      ILE  49  -5.321   0.456   1.431
  230   HG22  ILE  49          HG22      ILE  49  -6.813  -0.106   2.185
  231   HG23  ILE  49          HG23      ILE  49  -6.878   1.043   0.848
  232   HD11  ILE  49          HD13      ILE  49  -5.487   0.090   5.577
  233   HD12  ILE  49          HD11      ILE  49  -7.081   0.654   5.075
  234   HD13  ILE  49          HD12      ILE  49  -6.209  -0.525   4.093
  235    H    LEU  50           HN       LEU  50  -5.740   2.638  -0.451
  236    HA   LEU  50           HA       LEU  50  -7.918   4.588  -0.807
  237    HG   LEU  50           HG       LEU  50  -6.295   6.654  -1.313
  238    HB2  LEU  50           HB2      LEU  50  -5.322   4.564  -1.999
  239    HB3  LEU  50           HB3      LEU  50  -6.532   4.353  -3.249
  240   HD11  LEU  50          HD11      LEU  50  -6.103   6.460  -4.313
  241   HD12  LEU  50          HD12      LEU  50  -6.065   7.960  -3.383
  242   HD13  LEU  50          HD13      LEU  50  -4.781   6.769  -3.187
  243   HD21  LEU  50          HD23      LEU  50  -8.457   6.134  -3.352
  244   HD22  LEU  50          HD21      LEU  50  -8.657   6.056  -1.601
  245   HD23  LEU  50          HD22      LEU  50  -8.273   7.591  -2.378
  246    H    HIS  51           HN       HIS  51  -6.945   1.409  -1.228
  247    HA   HIS  51           HA       HIS  51  -9.253   0.432  -2.415
  248    HD1  HIS  51           HD1      HIS  51 -10.073  -0.858  -5.269
  249    HD2  HIS  51           HD2      HIS  51  -9.594   3.261  -5.008
  250    HE1  HIS  51           HE1      HIS  51 -12.109   0.130  -6.370
  251    HE2  HIS  51           HE2      HIS  51 -11.890   2.622  -6.030
  252    HB2  HIS  51           HB2      HIS  51  -7.440   1.665  -4.331
  253    HB3  HIS  51           HB3      HIS  51  -7.634  -0.049  -4.668
  254    H    HIS  52           HN       HIS  52  -8.207  -0.795  -0.485
  255    HA   HIS  52           HA       HIS  52  -7.200  -2.668   0.354
  256    HD1  HIS  52           HD1      HIS  52  -8.818  -3.520  -3.527
  257    HD2  HIS  52           HD2      HIS  52  -8.305  -5.546   0.068
  258    HE1  HIS  52           HE1      HIS  52 -10.816  -5.026  -3.307
  259    HE2  HIS  52           HE2      HIS  52 -10.337  -6.424  -1.276
  260    HB2  HIS  52           HB2      HIS  52  -6.540  -3.204  -2.550
  261    HB3  HIS  52           HB3      HIS  52  -6.070  -4.257  -1.235
  262    H    LYS  53           HN       LYS  53  -5.355  -1.010  -2.151
  263    HA   LYS  53           HA       LYS  53  -2.825  -1.693  -1.042
  264    HB2  LYS  53           HB2      LYS  53  -3.443   0.402  -3.131
  265    HB3  LYS  53           HB3      LYS  53  -1.896  -0.388  -2.843
  266    HG2  LYS  53           HG2      LYS  53  -2.780  -2.506  -3.535
  267    HG3  LYS  53           HG3      LYS  53  -4.401  -1.833  -3.695
  268    HD2  LYS  53           HD2      LYS  53  -3.590  -1.955  -5.888
  269    HD3  LYS  53           HD3      LYS  53  -3.348  -0.265  -5.437
  270    HE2  LYS  53           HE2      LYS  53  -1.059  -0.516  -5.215
  271    HE3  LYS  53           HE3      LYS  53  -1.172  -2.261  -4.992
  272    HZ1  LYS  53           HZ3      LYS  53  -1.590  -2.578  -7.270
  273    HZ2  LYS  53           HZ1      LYS  53  -0.275  -1.512  -7.185
  274    HZ3  LYS  53           HZ2      LYS  53  -1.825  -0.926  -7.554
  275    H    VAL  54           HN       VAL  54  -1.635  -0.672   0.381
  276    HA   VAL  54           HA       VAL  54  -2.772   1.638   1.743
  277    HB   VAL  54           HB       VAL  54  -2.024  -0.261   3.082
  278   HG11  VAL  54          HG11      VAL  54   0.733   0.305   2.022
  279   HG12  VAL  54          HG12      VAL  54   0.321  -0.862   3.279
  280   HG13  VAL  54          HG13      VAL  54  -0.263  -1.099   1.632
  281   HG21  VAL  54          HG23      VAL  54  -0.251   2.142   3.493
  282   HG22  VAL  54          HG21      VAL  54  -1.908   1.975   4.072
  283   HG23  VAL  54          HG22      VAL  54  -0.644   0.924   4.707
  284    H    TYR  55           HN       TYR  55  -1.705   3.584   2.029
  285    HA   TYR  55           HA       TYR  55   0.656   4.072   0.324
  286    HD1  TYR  55           HD2      TYR  55  -2.837   3.783  -0.495
  287    HD2  TYR  55           HD1      TYR  55   0.021   6.398  -2.247
  288    HE1  TYR  55           HE2      TYR  55  -3.545   3.047  -2.733
  289    HE2  TYR  55           HE1      TYR  55  -0.672   5.667  -4.486
  290    HH   TYR  55           HH       TYR  55  -1.753   3.688  -5.521
  291    HB2  TYR  55           HB2      TYR  55  -1.782   5.798   0.736
  292    HB3  TYR  55           HB3      TYR  55  -0.282   6.418   0.073
  293    H    ASP  56           HN       ASP  56   1.712   6.211   0.954
  294    HA   ASP  56           HA       ASP  56   1.346   6.960   3.782
  295    HB2  ASP  56           HB2      ASP  56   3.374   5.639   3.782
  296    HB3  ASP  56           HB3      ASP  56   3.990   6.480   2.367
  297    H    LEU  57           HN       LEU  57   1.390   9.233   4.084
  298    HA   LEU  57           HA       LEU  57   2.201  10.776   1.705
  299    HG   LEU  57           HG       LEU  57  -1.021  10.346   2.593
  300    HB2  LEU  57           HB2      LEU  57   0.387  11.766   3.911
  301    HB3  LEU  57           HB3      LEU  57   0.894  12.671   2.510
  302   HD11  LEU  57          HD11      LEU  57  -1.988  12.494   3.111
  303   HD12  LEU  57          HD12      LEU  57  -1.281  13.196   1.656
  304   HD13  LEU  57          HD13      LEU  57  -2.524  11.954   1.520
  305   HD21  LEU  57          HD23      LEU  57  -1.143  10.520   0.155
  306   HD22  LEU  57          HD21      LEU  57   0.189  11.672   0.167
  307   HD23  LEU  57          HD22      LEU  57   0.458  10.006   0.688
  308    H    THR  58           HN       THR  58   1.914  11.282   5.189
  309    HA   THR  58           HA       THR  58   3.234  12.225   6.745
  310    HB   THR  58           HB       THR  58   5.365  10.712   5.251
  311    HG1  THR  58           HG1      THR  58   4.221   9.062   5.950
  312   HG21  THR  58          HG23      THR  58   6.502  10.620   7.445
  313   HG22  THR  58          HG21      THR  58   5.284  11.714   8.101
  314   HG23  THR  58          HG22      THR  58   6.371  12.266   6.826
  315    H    LYS  59           HN       LYS  59   5.770  12.407   4.245
  316    HA   LYS  59           HA       LYS  59   6.334  15.126   4.858
  317    HB2  LYS  59           HB2      LYS  59   7.195  13.207   2.746
  318    HB3  LYS  59           HB3      LYS  59   7.481  14.920   2.483
  319    HG2  LYS  59           HG2      LYS  59   8.671  14.976   4.675
  320    HG3  LYS  59           HG3      LYS  59   8.527  13.213   4.721
  321    HD2  LYS  59           HD2      LYS  59   9.799  12.986   2.714
  322    HD3  LYS  59           HD3      LYS  59   9.765  14.729   2.437
  323    HE2  LYS  59           HE2      LYS  59  11.117  13.357   4.752
  324    HE3  LYS  59           HE3      LYS  59  11.930  13.966   3.311
  325    HZ1  LYS  59           HZ3      LYS  59  10.920  16.193   3.918
  326    HZ2  LYS  59           HZ1      LYS  59  12.166  15.631   4.924
  327    HZ3  LYS  59           HZ2      LYS  59  10.557  15.510   5.428
  328    H    PHE  60           HN       PHE  60   4.225  13.496   2.679
  329    HA   PHE  60           HA       PHE  60   4.138  15.286   0.561
  330    HD1  PHE  60           HD1      PHE  60   4.104  14.569  -1.477
  331    HD2  PHE  60           HD2      PHE  60   0.170  13.477  -0.242
  332    HE1  PHE  60           HE1      PHE  60   3.274  14.979  -3.759
  333    HE2  PHE  60           HE2      PHE  60  -0.659  13.879  -2.528
  334    HZ   PHE  60           HZ       PHE  60   0.892  14.630  -4.282
  335    HB2  PHE  60           HB2      PHE  60   3.353  12.872   0.647
  336    HB3  PHE  60           HB3      PHE  60   1.850  13.501   1.316
  337    H    LEU  61           HN       LEU  61   2.696  15.451   3.574
  338    HA   LEU  61           HA       LEU  61   0.216  16.563   3.245
  339    HG   LEU  61           HG       LEU  61   1.924  14.744   5.305
  340    HB2  LEU  61           HB2      LEU  61   2.216  17.160   5.428
  341    HB3  LEU  61           HB3      LEU  61   0.483  17.396   5.539
  342   HD11  LEU  61          HD11      LEU  61   1.063  14.349   7.542
  343   HD12  LEU  61          HD12      LEU  61   2.092  15.778   7.508
  344   HD13  LEU  61          HD13      LEU  61   0.338  15.959   7.562
  345   HD21  LEU  61          HD23      LEU  61  -0.256  13.706   5.515
  346   HD22  LEU  61          HD21      LEU  61  -1.036  15.286   5.564
  347   HD23  LEU  61          HD22      LEU  61  -0.227  14.745   4.094
  348    H    GLU  62           HN       GLU  62   3.327  18.055   3.049
  349    HA   GLU  62           HA       GLU  62   2.571  20.779   3.368
  350    HB2  GLU  62           HB2      GLU  62   5.009  19.668   1.971
  351    HB3  GLU  62           HB3      GLU  62   4.827  21.269   2.668
  352    HG2  GLU  62           HG2      GLU  62   4.593  18.858   4.399
  353    HG3  GLU  62           HG3      GLU  62   6.178  19.448   3.906
  354    H    GLU  63           HN       GLU  63   2.791  18.590   0.669
  355    HA   GLU  63           HA       GLU  63   2.993  20.825  -1.228
  356    HB2  GLU  63           HB2      GLU  63   4.632  18.735  -0.968
  357    HB3  GLU  63           HB3      GLU  63   3.459  18.006  -2.056
  358    HG2  GLU  63           HG2      GLU  63   5.286  18.938  -3.318
  359    HG3  GLU  63           HG3      GLU  63   3.814  19.854  -3.640
  360    H    HIS  64           HN       HIS  64   0.966  18.195  -0.247
  361    HA   HIS  64           HA       HIS  64  -0.458  17.861  -2.631
  362    HD1  HIS  64           HD1      HIS  64  -3.783  16.701   0.310
  363    HD2  HIS  64           HD2      HIS  64  -2.025  15.514  -3.319
  364    HE1  HIS  64           HE1      HIS  64  -5.579  15.439  -1.007
  365    HB2  HIS  64           HB3      HIS  64  -0.424  16.199  -0.826
  366    HB3  HIS  64           HB2      HIS  64  -1.330  17.261   0.205
  367    HA   PRO  65           HA       PRO  65  -2.403  21.816  -2.705
  368    HB2  PRO  65           HB2      PRO  65  -4.403  20.513  -4.472
  369    HB3  PRO  65           HB3      PRO  65  -3.367  21.912  -4.779
  370    HG2  PRO  65           HG2      PRO  65  -2.830  19.572  -5.917
  371    HG3  PRO  65           HG3      PRO  65  -1.521  20.595  -5.292
  372    HD2  PRO  65           HD2      PRO  65  -2.776  18.166  -4.067
  373    HD3  PRO  65           HD3      PRO  65  -1.060  18.621  -4.159
  374    H    GLY  66           HN       GLY  66  -4.783  19.129  -2.554
  375    HA2  GLY  66           HA1      GLY  66  -6.638  21.073  -1.353
  376    HA3  GLY  66           HA2      GLY  66  -7.118  19.655  -2.263
  377    H    GLY  67           HN       GLY  67  -5.096  20.263   0.648
  378    HA2  GLY  67           HA1      GLY  67  -6.724  19.699   2.623
  379    HA3  GLY  67           HA2      GLY  67  -6.577  18.092   1.943
  380    H    GLU  68           HN       GLU  68  -4.563  20.781   3.127
  381    HA   GLU  68           HA       GLU  68  -2.462  19.116   4.093
  382    HB2  GLU  68           HB2      GLU  68  -2.088  21.487   3.806
  383    HB3  GLU  68           HB3      GLU  68  -3.411  21.874   4.899
  384    HG2  GLU  68           HG2      GLU  68  -2.055  20.619   6.675
  385    HG3  GLU  68           HG3      GLU  68  -0.704  20.761   5.549
  386    H    GLU  69           HN       GLU  69  -5.384  20.473   5.450
  387    HA   GLU  69           HA       GLU  69  -4.965  19.166   8.023
  388    HB2  GLU  69           HB2      GLU  69  -5.603  21.509   8.043
  389    HB3  GLU  69           HB3      GLU  69  -6.994  21.181   7.029
  390    HG2  GLU  69           HG2      GLU  69  -7.776  21.511   9.235
  391    HG3  GLU  69           HG3      GLU  69  -7.913  19.788   8.887
  392    H    VAL  70           HN       VAL  70  -7.161  19.089   5.263
  393    HA   VAL  70           HA       VAL  70  -9.051  17.477   6.753
  394    HB   VAL  70           HB       VAL  70 -10.509  17.661   4.783
  395   HG11  VAL  70          HG11      VAL  70 -10.863  20.102   4.960
  396   HG12  VAL  70          HG12      VAL  70 -10.641  19.322   6.527
  397   HG13  VAL  70          HG13      VAL  70  -9.318  20.236   5.799
  398   HG21  VAL  70          HG23      VAL  70  -8.774  17.742   3.048
  399   HG22  VAL  70          HG21      VAL  70  -9.893  19.100   2.920
  400   HG23  VAL  70          HG22      VAL  70  -8.288  19.341   3.613
  401    H    LEU  71           HN       LEU  71  -6.324  16.650   5.118
  402    HA   LEU  71           HA       LEU  71  -7.366  14.284   3.855
  403    HG   LEU  71           HG       LEU  71  -3.110  14.701   4.003
  404    HB2  LEU  71           HB2      LEU  71  -5.239  13.874   3.092
  405    HB3  LEU  71           HB3      LEU  71  -5.183  15.599   3.344
  406   HD11  LEU  71          HD11      LEU  71  -4.727  15.368   6.435
  407   HD12  LEU  71          HD12      LEU  71  -2.966  15.280   6.388
  408   HD13  LEU  71          HD13      LEU  71  -3.815  16.478   5.412
  409   HD21  LEU  71          HD23      LEU  71  -4.591  12.768   5.772
  410   HD22  LEU  71          HD21      LEU  71  -3.710  12.385   4.295
  411   HD23  LEU  71          HD22      LEU  71  -2.837  12.970   5.710
  412    H    ARG  72           HN       ARG  72  -6.283  15.306   6.868
  413    HA   ARG  72           HA       ARG  72  -5.350  13.099   8.198
  414    HE   ARG  72           HE       ARG  72  -2.610  16.425  10.201
  415    HB2  ARG  72           HB2      ARG  72  -6.912  15.484   9.165
  416    HB3  ARG  72           HB3      ARG  72  -6.290  14.269  10.276
  417    HG2  ARG  72           HG2      ARG  72  -4.023  14.693   9.495
  418    HG3  ARG  72           HG3      ARG  72  -4.633  15.891   8.353
  419    HD2  ARG  72           HD2      ARG  72  -5.330  17.332  10.115
  420    HD3  ARG  72           HD3      ARG  72  -5.043  16.084  11.333
  421   HH11  ARG  72          HH12      ARG  72  -4.931  18.709  11.469
  422   HH12  ARG  72          HH11      ARG  72  -3.718  19.752  12.143
  423   HH21  ARG  72          HH22      ARG  72  -1.004  17.802  11.088
  424   HH22  ARG  72          HH21      ARG  72  -1.483  19.251  11.919
  425    H    GLU  73           HN       GLU  73  -8.682  14.042   7.731
  426    HA   GLU  73           HA       GLU  73  -9.967  12.266   9.485
  427    HB2  GLU  73           HB2      GLU  73 -10.921  13.502   6.892
  428    HB3  GLU  73           HB3      GLU  73 -11.963  12.713   8.066
  429    HG2  GLU  73           HG2      GLU  73 -10.232  15.001   8.883
  430    HG3  GLU  73           HG3      GLU  73 -11.767  15.278   8.058
  431    H    GLN  74           HN       GLN  74  -8.647  11.861   6.325
  432    HA   GLN  74           HA       GLN  74 -10.233   9.472   5.760
  433    HB2  GLN  74           HB2      GLN  74  -8.345  11.017   3.969
  434    HB3  GLN  74           HB3      GLN  74  -9.535   9.817   3.470
  435    HG2  GLN  74           HG2      GLN  74 -10.181  12.470   4.751
  436    HG3  GLN  74           HG3      GLN  74 -10.254  12.140   3.024
  437   HE21  GLN  74          HE21      GLN  74 -11.308   9.443   3.420
  438   HE22  GLN  74          HE22      GLN  74 -12.964   9.644   3.864
  439    H    ALA  75           HN       ALA  75  -7.250  10.349   6.984
  440    HA   ALA  75           HA       ALA  75  -5.740   8.091   5.983
  441    HB1  ALA  75           HB3      ALA  75  -3.963   8.895   7.470
  442    HB2  ALA  75           HB1      ALA  75  -4.604  10.203   6.475
  443    HB3  ALA  75           HB2      ALA  75  -5.079  10.069   8.168
  444    H    GLY  76           HN       GLY  76  -5.432   6.165   6.990
  445    HA2  GLY  76           HA1      GLY  76  -5.397   5.077   9.298
  446    HA3  GLY  76           HA2      GLY  76  -7.020   5.742   9.443
  447    H    GLY  77           HN       GLY  77  -7.500   5.229   6.560
  448    HA2  GLY  77           HA1      GLY  77  -7.200   2.444   6.043
  449    HA3  GLY  77           HA2      GLY  77  -8.825   2.805   6.631
  450    H    ASP  78           HN       ASP  78  -9.678   2.186   4.543
  451    HA   ASP  78           HA       ASP  78  -8.776   3.408   2.162
  452    HB2  ASP  78           HB2      ASP  78 -11.389   2.042   2.797
  453    HB3  ASP  78           HB3      ASP  78 -11.010   2.684   1.203
  454    H    ALA  79           HN       ALA  79  -8.949   5.446   1.559
  455    HA   ALA  79           HA       ALA  79 -11.177   7.081   2.550
  456    HB1  ALA  79           HB3      ALA  79  -8.952   8.041   2.725
  457    HB2  ALA  79           HB1      ALA  79  -8.709   7.848   0.989
  458    HB3  ALA  79           HB2      ALA  79  -9.933   8.965   1.592
  459    H    THR  80           HN       THR  80 -11.252   4.888   0.443
  460    HA   THR  80           HA       THR  80 -11.272   6.141  -2.103
  461    HB   THR  80           HB       THR  80 -10.599   3.815  -1.843
  462    HG1  THR  80           HG1      THR  80 -12.826   4.382  -3.501
  463   HG21  THR  80          HG23      THR  80 -13.496   3.255  -1.202
  464   HG22  THR  80          HG21      THR  80 -12.152   3.166  -0.065
  465   HG23  THR  80          HG22      THR  80 -12.228   2.050  -1.429
  466    H    GLU  81           HN       GLU  81 -13.624   6.353   0.235
  467    HA   GLU  81           HA       GLU  81 -15.978   5.895  -1.266
  468    HB2  GLU  81           HB2      GLU  81 -16.177   6.100   1.118
  469    HB3  GLU  81           HB3      GLU  81 -15.483   7.718   1.092
  470    HG2  GLU  81           HG2      GLU  81 -17.400   8.633   0.065
  471    HG3  GLU  81           HG3      GLU  81 -18.042   7.042  -0.330
  472    H    ASN  82           HN       ASN  82 -14.364   8.921  -0.432
  473    HA   ASN  82           HA       ASN  82 -15.931  10.672  -1.942
  474    HB2  ASN  82           HB2      ASN  82 -12.999  11.025  -1.283
  475    HB3  ASN  82           HB3      ASN  82 -14.187  12.289  -1.576
  476   HD21  ASN  82          HD21      ASN  82 -15.676  12.815   0.034
  477   HD22  ASN  82          HD22      ASN  82 -15.473  12.291   1.667
  478    H    PHE  83           HN       PHE  83 -13.198   8.751  -2.703
  479    HA   PHE  83           HA       PHE  83 -12.285   9.860  -5.096
  480    HD1  PHE  83           HD1      PHE  83  -9.437   9.024  -5.397
  481    HD2  PHE  83           HD2      PHE  83 -12.149   5.842  -6.170
  482    HE1  PHE  83           HE1      PHE  83  -8.082   8.345  -7.327
  483    HE2  PHE  83           HE2      PHE  83 -10.803   5.155  -8.115
  484    HZ   PHE  83           HZ       PHE  83  -8.762   6.407  -8.692
  485    HB2  PHE  83           HB2      PHE  83 -11.028   8.270  -3.710
  486    HB3  PHE  83           HB3      PHE  83 -12.195   7.009  -4.078
  487    H    GLU  84           HN       GLU  84 -14.812   7.543  -4.421
  488    HA   GLU  84           HA       GLU  84 -15.110   6.704  -7.171
  489    HB2  GLU  84           HB2      GLU  84 -16.691   6.049  -4.680
  490    HB3  GLU  84           HB3      GLU  84 -16.922   5.291  -6.248
  491    HG2  GLU  84           HG2      GLU  84 -14.384   5.184  -4.644
  492    HG3  GLU  84           HG3      GLU  84 -15.616   3.924  -4.685
  493    H    ASP  85           HN       ASP  85 -16.552   8.948  -4.998
  494    HA   ASP  85           HA       ASP  85 -19.021   9.180  -6.532
  495    HB2  ASP  85           HB2      ASP  85 -18.891   9.144  -3.972
  496    HB3  ASP  85           HB3      ASP  85 -18.249  10.777  -4.090
  497    H    VAL  86           HN       VAL  86 -16.259  11.155  -5.551
  498    HA   VAL  86           HA       VAL  86 -16.745  12.885  -7.889
  499    HB   VAL  86           HB       VAL  86 -15.552  13.725  -5.227
  500   HG11  VAL  86          HG11      VAL  86 -15.441  15.977  -6.179
  501   HG12  VAL  86          HG12      VAL  86 -14.434  14.848  -7.079
  502   HG13  VAL  86          HG13      VAL  86 -15.993  15.354  -7.733
  503   HG21  VAL  86          HG23      VAL  86 -18.129  14.525  -6.568
  504   HG22  VAL  86          HG21      VAL  86 -17.973  13.525  -5.126
  505   HG23  VAL  86          HG22      VAL  86 -17.494  15.222  -5.078
  506    H    GLY  87           HN       GLY  87 -15.382  11.978  -9.297
  507    HA2  GLY  87           HA1      GLY  87 -13.183  10.401  -8.676
  508    HA3  GLY  87           HA2      GLY  87 -13.456  11.160 -10.236
  509    H    HIS  88           HN       HIS  88 -11.072  10.661  -8.430
  510    HA   HIS  88           HA       HIS  88 -10.009  13.204  -7.723
  511    HD1  HIS  88           HD1      HIS  88  -6.302  12.191  -8.750
  512    HD2  HIS  88           HD2      HIS  88  -8.005  12.559  -4.956
  513    HE1  HIS  88           HE1      HIS  88  -4.571  13.326  -7.291
  514    HB2  HIS  88           HB2      HIS  88  -9.292  10.931  -6.817
  515    HB3  HIS  88           HB3      HIS  88  -8.443  10.685  -8.333
  516    H    SER  89           HN       SER  89  -7.867  13.971  -8.817
  517    HA   SER  89           HA       SER  89  -8.571  14.470 -11.559
  518    HG   SER  89           HG       SER  89  -6.031  16.479 -11.974
  519    HB2  SER  89           HB2      SER  89  -7.769  16.188  -9.887
  520    HB3  SER  89           HB3      SER  89  -6.180  15.493 -10.138
  521    H    THR  90           HN       THR  90  -7.740  11.774 -11.004
  522    HA   THR  90           HA       THR  90  -6.637  10.117 -12.084
  523    HB   THR  90           HB       THR  90  -5.480  12.304 -13.828
  524    HG1  THR  90           HG1      THR  90  -7.520  12.427 -14.408
  525   HG21  THR  90          HG23      THR  90  -5.211  10.526 -15.494
  526   HG22  THR  90          HG21      THR  90  -5.784   9.337 -14.327
  527   HG23  THR  90          HG22      THR  90  -4.264  10.183 -14.046
  528    H    ASP  91           HN       ASP  91  -4.894  12.660 -10.588
  529    HA   ASP  91           HA       ASP  91  -2.254  11.752 -10.788
  530    HB2  ASP  91           HB2      ASP  91  -3.345  12.919  -8.247
  531    HB3  ASP  91           HB3      ASP  91  -1.775  13.185  -9.003
  532    H    ALA  92           HN       ALA  92  -4.544  11.193  -8.120
  533    HA   ALA  92           HA       ALA  92  -3.058   8.987  -7.057
  534    HB1  ALA  92           HB3      ALA  92  -5.904   9.793  -6.471
  535    HB2  ALA  92           HB1      ALA  92  -4.882   8.735  -5.498
  536    HB3  ALA  92           HB2      ALA  92  -4.479  10.443  -5.663
  537    H    ARG  93           HN       ARG  93  -3.035   8.119  -9.328
  538    HA   ARG  93           HA       ARG  93  -4.670   5.835  -9.582
  539    HE   ARG  93           HE       ARG  93  -7.308   5.010 -13.783
  540    HB2  ARG  93           HB2      ARG  93  -6.245   7.492 -10.440
  541    HB3  ARG  93           HB3      ARG  93  -5.007   8.159 -11.498
  542    HG2  ARG  93           HG2      ARG  93  -4.944   6.105 -12.756
  543    HG3  ARG  93           HG3      ARG  93  -6.138   5.397 -11.672
  544    HD2  ARG  93           HD2      ARG  93  -7.717   7.203 -12.313
  545    HD3  ARG  93           HD3      ARG  93  -6.528   7.778 -13.478
  546   HH11  ARG  93          HH12      ARG  93  -7.888   8.332 -14.744
  547   HH12  ARG  93          HH11      ARG  93  -8.786   7.902 -16.168
  548   HH21  ARG  93          HH22      ARG  93  -8.506   4.436 -15.663
  549   HH22  ARG  93          HH21      ARG  93  -9.109   5.694 -16.702
  550    H    GLU  94           HN       GLU  94  -2.601   8.233 -11.075
  551    HA   GLU  94           HA       GLU  94  -1.022   6.141 -12.412
  552    HB2  GLU  94           HB2      GLU  94  -1.783   8.930 -13.189
  553    HB3  GLU  94           HB3      GLU  94  -0.278   8.243 -13.798
  554    HG2  GLU  94           HG2      GLU  94  -2.992   6.992 -14.128
  555    HG3  GLU  94           HG3      GLU  94  -2.174   7.978 -15.342
  556    H    MET  95           HN       MET  95  -0.754   9.360 -10.947
  557    HA   MET  95           HA       MET  95   2.109   9.293 -10.904
  558    HB2  MET  95           HB2      MET  95   0.839  11.389 -11.172
  559    HB3  MET  95           HB3      MET  95   0.173  11.191  -9.557
  560    HG2  MET  95           HG2      MET  95   2.377  11.432  -8.586
  561    HG3  MET  95           HG3      MET  95   3.095  11.539 -10.193
  562    HE1  MET  95           HE3      MET  95   3.822  13.631  -8.107
  563    HE2  MET  95           HE1      MET  95   4.312  13.895  -9.780
  564    HE3  MET  95           HE2      MET  95   3.536  15.192  -8.874
  565    H    SER  96           HN       SER  96  -0.402   8.334  -8.767
  566    HA   SER  96           HA       SER  96   1.024   8.779  -6.325
  567    HG   SER  96           HG       SER  96  -1.979   6.357  -6.546
  568    HB2  SER  96           HB2      SER  96  -0.959   7.719  -5.290
  569    HB3  SER  96           HB3      SER  96  -1.378   9.023  -6.401
  570    H    LYS  97           HN       LYS  97   1.284   6.479  -8.651
  571    HA   LYS  97           HA       LYS  97   0.945   4.008  -7.405
  572    HB2  LYS  97           HB2      LYS  97   2.563   4.814  -9.817
  573    HB3  LYS  97           HB3      LYS  97   2.374   3.141  -9.316
  574    HG2  LYS  97           HG2      LYS  97  -0.166   3.639  -9.461
  575    HG3  LYS  97           HG3      LYS  97   0.336   5.022 -10.433
  576    HD2  LYS  97           HD2      LYS  97   1.132   2.166 -10.993
  577    HD3  LYS  97           HD3      LYS  97  -0.223   2.982 -11.766
  578    HE2  LYS  97           HE2      LYS  97   2.632   3.955 -11.898
  579    HE3  LYS  97           HE3      LYS  97   1.895   2.916 -13.114
  580    HZ1  LYS  97           HZ3      LYS  97   0.263   4.648 -13.559
  581    HZ2  LYS  97           HZ1      LYS  97   1.842   5.237 -13.767
  582    HZ3  LYS  97           HZ2      LYS  97   0.969   5.634 -12.374
  583    H    THR  98           HN       THR  98   3.557   6.195  -7.212
  584    HA   THR  98           HA       THR  98   5.492   4.200  -6.352
  585    HB   THR  98           HB       THR  98   6.937   6.308  -6.028
  586    HG1  THR  98           HG1      THR  98   5.810   7.916  -7.685
  587   HG21  THR  98          HG23      THR  98   5.895   5.704  -8.799
  588   HG22  THR  98          HG21      THR  98   7.148   4.788  -7.964
  589   HG23  THR  98          HG22      THR  98   7.433   6.471  -8.409
  590    H    PHE  99           HN       PHE  99   3.027   5.945  -4.934
  591    HA   PHE  99           HA       PHE  99   4.318   6.131  -2.318
  592    HD1  PHE  99           HD1      PHE  99   3.779   8.427  -0.741
  593    HD2  PHE  99           HD2      PHE  99   2.411   8.730  -4.761
  594    HE1  PHE  99           HE1      PHE  99   4.792  10.665  -0.912
  595    HE2  PHE  99           HE2      PHE  99   3.424  10.969  -4.940
  596    HZ   PHE  99           HZ       PHE  99   4.609  11.939  -3.006
  597    HB2  PHE  99           HB2      PHE  99   1.622   7.003  -3.357
  598    HB3  PHE  99           HB3      PHE  99   1.991   6.979  -1.637
  599    H    ILE 100           HN       ILE 100   2.590   3.929  -4.180
  600    HA   ILE 100           HA       ILE 100   1.037   2.726  -2.120
  601    HB   ILE 100           HB       ILE 100   1.919   1.250  -4.592
  602   HG12  ILE 100          HG12      ILE 100  -0.361   3.238  -4.384
  603   HG13  ILE 100          HG13      ILE 100   1.113   3.467  -5.321
  604   HG21  ILE 100          HG21      ILE 100  -0.575   1.175  -2.915
  605   HG22  ILE 100          HG22      ILE 100  -0.249   0.170  -4.328
  606   HG23  ILE 100          HG23      ILE 100   0.742   0.004  -2.879
  607   HD11  ILE 100          HD13      ILE 100   0.509   1.552  -6.717
  608   HD12  ILE 100          HD11      ILE 100  -0.984   1.362  -5.798
  609   HD13  ILE 100          HD12      ILE 100  -0.719   2.817  -6.757
  610    H    ILE 101           HN       ILE 101   2.403   2.197  -0.394
  611    HA   ILE 101           HA       ILE 101   4.898   0.883  -0.763
  612    HB   ILE 101           HB       ILE 101   4.769   0.496   1.733
  613   HG12  ILE 101          HG12      ILE 101   2.256   2.145   1.400
  614   HG13  ILE 101          HG13      ILE 101   2.348   0.494   2.001
  615   HG21  ILE 101          HG21      ILE 101   5.932   2.385   0.703
  616   HG22  ILE 101          HG22      ILE 101   4.436   3.322   0.723
  617   HG23  ILE 101          HG23      ILE 101   5.195   2.842   2.242
  618   HD11  ILE 101          HD13      ILE 101   3.469   2.946   3.338
  619   HD12  ILE 101          HD11      ILE 101   2.042   2.034   3.828
  620   HD13  ILE 101          HD12      ILE 101   3.636   1.294   3.937
  621    H    GLY 102           HN       GLY 102   1.654  -0.266  -0.567
  622    HA2  GLY 102           HA1      GLY 102   2.082  -2.715  -1.623
  623    HA3  GLY 102           HA2      GLY 102   2.422  -2.984   0.082
  624    H    GLU 103           HN       GLU 103   0.671  -4.357   0.384
  625    HA   GLU 103           HA       GLU 103  -1.902  -2.948   0.498
  626    HB2  GLU 103           HB2      GLU 103  -1.423  -5.701  -0.639
  627    HB3  GLU 103           HB3      GLU 103  -3.010  -5.167  -0.101
  628    HG2  GLU 103           HG2      GLU 103  -2.916  -3.316  -1.702
  629    HG3  GLU 103           HG3      GLU 103  -1.343  -3.887  -2.255
  630    H    LEU 104           HN       LEU 104  -3.388  -5.032   1.606
  631    HA   LEU 104           HA       LEU 104  -2.386  -4.811   4.305
  632    HG   LEU 104           HG       LEU 104  -5.057  -3.958   2.463
  633    HB2  LEU 104           HB2      LEU 104  -4.901  -6.194   3.416
  634    HB3  LEU 104           HB3      LEU 104  -4.545  -5.521   4.993
  635   HD11  LEU 104          HD11      LEU 104  -7.050  -3.185   3.603
  636   HD12  LEU 104          HD12      LEU 104  -7.055  -4.944   3.475
  637   HD13  LEU 104          HD13      LEU 104  -6.651  -4.170   5.012
  638   HD21  LEU 104          HD23      LEU 104  -3.374  -2.858   3.849
  639   HD22  LEU 104          HD21      LEU 104  -4.899  -1.970   3.853
  640   HD23  LEU 104          HD22      LEU 104  -4.452  -2.961   5.242
  641    H    HIS 105           HN       HIS 105  -2.695  -6.835   5.770
  642    HA   HIS 105           HA       HIS 105  -0.947  -8.861   5.002
  643    HD1  HIS 105           HD1      HIS 105  -2.182 -11.556   8.163
  644    HD2  HIS 105           HD2      HIS 105   0.807  -8.982   6.797
  645    HE1  HIS 105           HE1      HIS 105   0.000 -12.547   8.949
  646    HE2  HIS 105           HE2      HIS 105   1.777 -10.908   8.227
  647    HB2  HIS 105           HB2      HIS 105  -2.208  -8.193   7.308
  648    HB3  HIS 105           HB3      HIS 105  -3.100  -9.646   6.872
  649    HA   PRO 106           HA       PRO 106  -2.952 -11.966   2.428
  650    HB2  PRO 106           HB2      PRO 106  -2.736 -14.044   4.399
  651    HB3  PRO 106           HB3      PRO 106  -1.753 -13.801   2.958
  652    HG2  PRO 106           HG2      PRO 106  -1.211 -13.039   5.756
  653    HG3  PRO 106           HG3      PRO 106  -0.077 -13.365   4.432
  654    HD2  PRO 106           HD2      PRO 106  -0.493 -10.878   5.344
  655    HD3  PRO 106           HD3      PRO 106  -0.220 -11.201   3.614
  656    H    ASP 107           HN       ASP 107  -3.881 -11.646   5.789
  657    HA   ASP 107           HA       ASP 107  -6.368 -13.073   5.579
  658    HB2  ASP 107           HB2      ASP 107  -5.480 -11.196   7.774
  659    HB3  ASP 107           HB3      ASP 107  -6.642 -12.512   7.892
  660    H    ASP 108           HN       ASP 108  -5.217  -9.834   5.422
  661    HA   ASP 108           HA       ASP 108  -7.783  -8.597   5.937
  662    HB2  ASP 108           HB2      ASP 108  -5.183  -7.270   5.168
  663    HB3  ASP 108           HB3      ASP 108  -6.587  -6.506   5.890
  664    H    ARG 109           HN       ARG 109  -5.661  -9.273   3.308
  665    HA   ARG 109           HA       ARG 109  -6.411  -7.226   1.547
  666    HE   ARG 109           HE       ARG 109  -3.765  -7.246  -2.545
  667    HB2  ARG 109           HB2      ARG 109  -4.290  -8.601   1.437
  668    HB3  ARG 109           HB3      ARG 109  -5.252  -9.888   0.721
  669    HG2  ARG 109           HG2      ARG 109  -5.946  -8.127  -1.012
  670    HG3  ARG 109           HG3      ARG 109  -4.576  -7.198  -0.407
  671    HD2  ARG 109           HD2      ARG 109  -3.161  -9.247  -0.844
  672    HD3  ARG 109           HD3      ARG 109  -4.549  -9.906  -1.713
  673   HH11  ARG 109          HH12      ARG 109  -3.282 -10.687  -3.108
  674   HH12  ARG 109          HH11      ARG 109  -2.718 -10.464  -4.731
  675   HH21  ARG 109          HH22      ARG 109  -3.005  -6.958  -4.642
  676   HH22  ARG 109          HH21      ARG 109  -2.567  -8.340  -5.613
  677    HA   PRO 110           HA       PRO 110  -9.536 -10.121  -0.428
  678    HB2  PRO 110           HB2      PRO 110  -9.883 -12.657   0.351
  679    HB3  PRO 110           HB3      PRO 110  -8.553 -12.196  -0.720
  680    HG2  PRO 110           HG2      PRO 110  -8.507 -12.847   2.181
  681    HG3  PRO 110           HG3      PRO 110  -7.279 -13.145   0.939
  682    HD2  PRO 110           HD2      PRO 110  -7.311 -11.032   2.799
  683    HD3  PRO 110           HD3      PRO 110  -6.259 -11.176   1.380
  684    H    LYS 111           HN       LYS 111  -9.184 -10.367   3.040
  685    HA   LYS 111           HA       LYS 111 -10.611  -9.897   4.752
  686    HB2  LYS 111           HB2      LYS 111 -12.644  -9.325   2.579
  687    HB3  LYS 111           HB3      LYS 111 -12.857  -8.971   4.291
  688    HG2  LYS 111           HG2      LYS 111 -11.145  -7.339   4.270
  689    HG3  LYS 111           HG3      LYS 111 -10.584  -7.847   2.680
  690    HD2  LYS 111           HD2      LYS 111 -11.811  -5.756   2.521
  691    HD3  LYS 111           HD3      LYS 111 -12.674  -7.044   1.686
  692    HE2  LYS 111           HE2      LYS 111 -13.398  -6.618   4.514
  693    HE3  LYS 111           HE3      LYS 111 -13.835  -5.322   3.399
  694    HZ1  LYS 111           HZ3      LYS 111 -15.569  -7.051   3.711
  695    HZ2  LYS 111           HZ1      LYS 111 -14.540  -8.175   2.963
  696    HZ3  LYS 111           HZ2      LYS 111 -15.106  -6.833   2.097
  697    H    LEU 112           HN       LEU 112 -11.795 -11.909   2.169
  698    HA   LEU 112           HA       LEU 112 -12.957 -13.790   4.103
  699    HG   LEU 112           HG       LEU 112 -13.894 -15.921   2.134
  700    HB2  LEU 112           HB2      LEU 112 -14.336 -12.931   2.147
  701    HB3  LEU 112           HB3      LEU 112 -13.227 -13.775   1.086
  702   HD11  LEU 112          HD11      LEU 112 -14.548 -15.060   4.319
  703   HD12  LEU 112          HD12      LEU 112 -15.921 -14.230   3.587
  704   HD13  LEU 112          HD13      LEU 112 -15.852 -15.991   3.582
  705   HD21  LEU 112          HD23      LEU 112 -16.113 -16.030   1.117
  706   HD22  LEU 112          HD21      LEU 112 -16.174 -14.268   1.055
  707   HD23  LEU 112          HD22      LEU 112 -14.981 -15.144   0.094
  708    H    ASN 113           HN       ASN 113 -12.622 -16.093   2.328
  709    HA   ASN 113           HA       ASN 113  -9.843 -16.650   2.820
  710    HB2  ASN 113           HB2      ASN 113 -11.790 -18.331   2.940
  711    HB3  ASN 113           HB3      ASN 113 -11.699 -18.379   1.184
  712   HD21  ASN 113          HD21      ASN 113 -10.121 -19.222   4.166
  713   HD22  ASN 113          HD22      ASN 113  -8.944 -20.281   3.479
  714    H    LYS 114           HN       LYS 114  -8.682 -17.837   0.822
  715    HA   LYS 114           HA       LYS 114  -8.698 -15.848  -1.341
  716    HB2  LYS 114           HB2      LYS 114  -6.525 -17.705  -0.364
  717    HB3  LYS 114           HB3      LYS 114  -6.372 -16.650  -1.760
  718    HG2  LYS 114           HG2      LYS 114  -6.585 -14.702  -0.370
  719    HG3  LYS 114           HG3      LYS 114  -6.901 -15.707   1.047
  720    HD2  LYS 114           HD2      LYS 114  -4.581 -14.927   0.983
  721    HD3  LYS 114           HD3      LYS 114  -4.686 -16.686   0.869
  722    HE2  LYS 114           HE2      LYS 114  -4.538 -16.422  -1.627
  723    HE3  LYS 114           HE3      LYS 114  -4.160 -14.722  -1.352
  724    HZ1  LYS 114           HZ3      LYS 114  -2.239 -15.429  -0.033
  725    HZ2  LYS 114           HZ1      LYS 114  -2.154 -16.006  -1.628
  726    HZ3  LYS 114           HZ2      LYS 114  -2.602 -17.048  -0.370
  727    HA   PRO 115           HA       PRO 115  -9.652 -18.896  -4.472
  728    HB2  PRO 115           HB2      PRO 115  -7.095 -18.270  -5.839
  729    HB3  PRO 115           HB3      PRO 115  -8.746 -18.205  -6.462
  730    HG2  PRO 115           HG2      PRO 115  -7.390 -15.969  -5.899
  731    HG3  PRO 115           HG3      PRO 115  -9.133 -16.097  -5.590
  732    HD2  PRO 115           HD2      PRO 115  -6.851 -16.253  -3.666
  733    HD3  PRO 115           HD3      PRO 115  -8.454 -15.513  -3.464
  734    HA   PRO 116           HA       PRO 116  -7.109 -22.211  -2.718
  735    HB2  PRO 116           HB2      PRO 116  -9.100 -23.884  -4.111
  736    HB3  PRO 116           HB3      PRO 116  -8.659 -23.857  -2.402
  737    HG2  PRO 116           HG2      PRO 116 -11.015 -22.901  -3.269
  738    HG3  PRO 116           HG3      PRO 116 -10.149 -22.169  -1.905
  739    HD2  PRO 116           HD2      PRO 116 -10.338 -21.251  -4.746
  740    HD3  PRO 116           HD3      PRO 116 -10.365 -20.294  -3.249
  741    H    GLU 117           HN       GLU 117  -8.544 -22.112  -5.902
  742    HA   GLU 117           HA       GLU 117  -5.969 -22.748  -7.128
  743    HB2  GLU 117           HB2      GLU 117  -8.563 -23.933  -8.138
  744    HB3  GLU 117           HB3      GLU 117  -6.941 -24.257  -8.729
  745    HG2  GLU 117           HG2      GLU 117  -6.388 -25.448  -6.721
  746    HG3  GLU 117           HG3      GLU 117  -7.929 -25.004  -5.988
  747    H    THR 118           HN       THR 118  -6.139 -22.108  -9.568
  748    HA   THR 118           HA       THR 118  -7.000 -19.446  -9.645
  749    HB   THR 118           HB       THR 118  -5.231 -20.271 -11.110
  750    HG1  THR 118           HG1      THR 118  -6.204 -18.372 -11.768
  751   HG21  THR 118          HG23      THR 118  -6.147 -22.446 -11.717
  752   HG22  THR 118          HG21      THR 118  -5.774 -21.508 -13.164
  753   HG23  THR 118          HG22      THR 118  -7.445 -21.662 -12.622
  754    H    LEU 119           HN       LEU 119  -8.603 -22.400 -10.828
  755    HA   LEU 119           HA       LEU 119 -11.174 -21.220 -10.612
  756    HG   LEU 119           HG       LEU 119 -12.712 -21.924 -13.066
  757    HB2  LEU 119           HB2      LEU 119 -10.287 -20.158 -12.709
  758    HB3  LEU 119           HB3      LEU 119 -10.234 -21.755 -13.424
  759   HD11  LEU 119          HD11      LEU 119 -12.396 -19.019 -12.339
  760   HD12  LEU 119          HD12      LEU 119 -13.928 -19.808 -12.700
  761   HD13  LEU 119          HD13      LEU 119 -12.989 -20.312 -11.296
  762   HD21  LEU 119          HD23      LEU 119 -11.695 -19.657 -14.777
  763   HD22  LEU 119          HD21      LEU 119 -11.798 -21.356 -15.238
  764   HD23  LEU 119          HD22      LEU 119 -13.272 -20.432 -14.945
  765    H    ILE 120           HN       ILE 120 -10.391 -23.462  -9.441
  766    HA   ILE 120           HA       ILE 120 -10.965 -25.637  -9.055
  767    HB   ILE 120           HB       ILE 120 -13.345 -25.104 -10.828
  768   HG12  ILE 120          HG12      ILE 120 -12.962 -24.233  -7.954
  769   HG13  ILE 120          HG13      ILE 120 -12.971 -23.155  -9.349
  770   HG21  ILE 120          HG21      ILE 120 -13.060 -26.692  -8.274
  771   HG22  ILE 120          HG22      ILE 120 -14.522 -26.538  -9.249
  772   HG23  ILE 120          HG23      ILE 120 -13.114 -27.374  -9.899
  773   HD11  ILE 120          HD13      ILE 120 -15.280 -23.740  -9.801
  774   HD12  ILE 120          HD11      ILE 120 -15.272 -24.866  -8.443
  775   HD13  ILE 120          HD12      ILE 120 -15.095 -23.134  -8.156
  776    H    THR 121           HN       THR 121  -9.141 -25.458 -11.106
  777    HA   THR 121           HA       THR 121  -8.120 -26.539 -12.789
  778    HB   THR 121           HB       THR 121  -8.467 -28.884 -13.130
  779    HG1  THR 121           HG1      THR 121 -10.970 -28.456 -11.844
  780   HG21  THR 121          HG23      THR 121  -7.389 -28.230 -11.040
  781   HG22  THR 121          HG21      THR 121  -8.317 -29.718 -10.840
  782   HG23  THR 121          HG22      THR 121  -8.959 -28.191 -10.235
  783    H    THR 122           HN       THR 122 -11.655 -26.844 -13.173
  784    HA   THR 122           HA       THR 122 -11.279 -26.458 -16.068
  785    HB   THR 122           HB       THR 122 -13.358 -28.308 -14.900
  786    HG1  THR 122           HG1      THR 122 -11.176 -29.013 -14.393
  787   HG21  THR 122          HG23      THR 122 -13.786 -27.555 -17.169
  788   HG22  THR 122          HG21      THR 122 -13.330 -29.260 -17.182
  789   HG23  THR 122          HG22      THR 122 -12.159 -28.028 -17.661
  790    H    ILE 123           HN       ILE 123 -12.981 -25.366 -17.125
  791    HA   ILE 123           HA       ILE 123 -14.475 -23.611 -15.367
  792    HB   ILE 123           HB       ILE 123 -13.203 -22.700 -17.307
  793   HG12  ILE 123          HG12      ILE 123 -16.189 -22.219 -17.468
  794   HG13  ILE 123          HG13      ILE 123 -15.104 -21.477 -16.297
  795   HG21  ILE 123          HG21      ILE 123 -13.598 -24.493 -18.901
  796   HG22  ILE 123          HG22      ILE 123 -15.310 -24.083 -18.961
  797   HG23  ILE 123          HG23      ILE 123 -14.112 -22.943 -19.572
  798   HD11  ILE 123          HD13      ILE 123 -13.901 -20.380 -18.113
  799   HD12  ILE 123          HD11      ILE 123 -15.009 -21.100 -19.281
  800   HD13  ILE 123          HD12      ILE 123 -15.609 -19.945 -18.089
  801    H    ASP 124           HN       ASP 124 -16.708 -23.401 -15.355
  802    HA   ASP 124           HA       ASP 124 -18.182 -25.798 -15.659
  803    HB2  ASP 124           HB2      ASP 124 -18.762 -24.193 -13.944
  804    HB3  ASP 124           HB3      ASP 124 -19.058 -22.947 -15.148
  805    H    SER 125           HN       SER 125 -19.092 -22.692 -17.097
  806    HA   SER 125           HA       SER 125 -19.528 -24.056 -19.665
  807    HG   SER 125           HG       SER 125 -21.605 -23.922 -17.413
  808    HB2  SER 125           HB2      SER 125 -21.305 -21.920 -18.451
  809    HB3  SER 125           HB3      SER 125 -21.554 -22.722 -20.000
  810    H    SER 126           HN       SER 126 -20.420 -21.529 -20.899
  811    HA   SER 126           HA       SER 126 -17.837 -20.338 -21.356
  812    HG   SER 126           HG       SER 126 -18.660 -18.016 -22.577
  813    HB2  SER 126           HB2      SER 126 -19.516 -20.649 -23.173
  814    HB3  SER 126           HB3      SER 126 -20.558 -19.475 -22.376
  815    H    SER 127           HN       SER 127 -19.161 -20.139 -18.681
  816    HA   SER 127           HA       SER 127 -19.535 -18.696 -16.986
  817    HG   SER 127           HG       SER 127 -16.928 -18.600 -18.271
  818    HB2  SER 127           HB2      SER 127 -18.157 -16.671 -18.771
  819    HB3  SER 127           HB3      SER 127 -18.416 -16.523 -17.032
  820    H    SER 128           HN       SER 128 -20.222 -15.938 -17.018
  821    HA   SER 128           HA       SER 128 -22.409 -15.593 -18.865
  822    HG   SER 128           HG       SER 128 -24.281 -14.507 -17.745
  823    HB2  SER 128           HB2      SER 128 -23.375 -17.027 -17.030
  824    HB3  SER 128           HB3      SER 128 -23.013 -15.723 -15.899
  825    HHA  HEM 129           HHA      HEM 129  -5.013  18.049  -6.379
  826    HHB  HEM 129           HHB      HEM 129  -1.086  12.932  -6.073
  827    HHC  HEM 129           HHC      HEM 129  -4.805  10.387  -1.543
  828    HHD  HEM 129           HHD      HEM 129  -8.938  15.318  -2.073
  829    HAB  HEM 129           HAB      HEM 129  -1.702   9.627  -1.310
  830    HAC  HEM 129           HAC      HEM 129 -10.048  13.590  -0.870
  831   HMA1  HEM 129          HMA1      HEM 129  -0.450  16.153  -8.230
  832   HMA2  HEM 129          HMA2      HEM 129   0.189  15.440  -6.750
  833   HMA3  HEM 129          HMA3      HEM 129  -0.486  14.404  -8.016
  834   HAA1  HEM 129          HAA1      HEM 129  -1.918  18.005  -8.275
  835   HAA2  HEM 129          HAA2      HEM 129  -2.673  16.848  -8.847
  836   HBA1  HEM 129          HBA1      HEM 129  -4.448  18.949  -8.539
  837   HBA2  HEM 129          HBA2      HEM 129  -4.941  17.249  -8.678
  838   HMB1  HEM 129          HMB1      HEM 129   0.488  11.228  -3.912
  839   HMB2  HEM 129          HMB2      HEM 129  -0.333  10.193  -5.256
  840   HMB3  HEM 129          HMB3      HEM 129  -0.415  10.047  -3.741
  841   HBB1  HEM 129          HBB1      HEM 129  -3.557   8.311  -3.338
  842   HBB2  HEM 129          HBB2      HEM 129  -2.619   7.505  -1.935
  843   HMC1  HEM 129          HMC1      HEM 129  -6.303  10.045  -0.150
  844   HMC2  HEM 129          HMC2      HEM 129  -7.785  10.699   0.562
  845   HMC3  HEM 129          HMC3      HEM 129  -7.817   9.781  -0.987
  846   HBC1  HEM 129          HBC1      HEM 129 -10.443  12.633   1.258
  847   HBC2  HEM 129          HBC2      HEM 129  -8.737  11.916   1.329
  848   HMD1  HEM 129          HMD1      HEM 129  -9.722  17.270  -2.380
  849   HMD2  HEM 129          HMD2      HEM 129  -9.604  18.760  -3.514
  850   HMD3  HEM 129          HMD3      HEM 129  -8.585  18.270  -2.507
  851   HAD1  HEM 129          HAD1      HEM 129  -8.447  18.659  -6.512
  852   HAD2  HEM 129          HAD2      HEM 129  -8.330  19.156  -5.087
  853   HBD1  HEM 129          HBD1      HEM 129  -7.026  20.631  -6.794
  854   HBD2  HEM 129          HBD2      HEM 129  -5.930  20.120  -5.504
  Start of MODEL   11
    1    HA   MET  21           HA       MET  21  17.167  -6.649 -10.769
    2    H1   MET  21           1H       MET  21  16.190  -4.765 -11.425
    3    HB2  MET  21           HB2      MET  21  16.836  -5.363  -8.077
    4    HB3  MET  21           HB3      MET  21  17.591  -6.941  -8.270
    5    HG2  MET  21           HG2      MET  21  19.239  -5.907  -9.786
    6    HG3  MET  21           HG3      MET  21  18.508  -4.338  -9.447
    7    HE1  MET  21           HE3      MET  21  21.959  -4.271  -7.525
    8    HE2  MET  21           HE1      MET  21  21.620  -5.111  -9.040
    9    HE3  MET  21           HE2      MET  21  20.967  -3.495  -8.764
   10    H    ALA  22           HN       ALA  22  15.088  -6.486  -7.913
   11    HA   ALA  22           HA       ALA  22  13.729  -8.911  -8.891
   12    HB1  ALA  22           HB3      ALA  22  15.445  -9.567  -7.298
   13    HB2  ALA  22           HB1      ALA  22  14.765  -8.473  -6.094
   14    HB3  ALA  22           HB2      ALA  22  13.833  -9.865  -6.650
   15    H    GLU  23           HN       GLU  23  12.289  -6.992  -9.455
   16    HA   GLU  23           HA       GLU  23  10.292  -5.958  -9.225
   17    HB2  GLU  23           HB2      GLU  23   9.535  -8.246  -8.768
   18    HB3  GLU  23           HB3      GLU  23   9.869  -8.021  -7.055
   19    HG2  GLU  23           HG2      GLU  23   8.027  -6.732  -6.724
   20    HG3  GLU  23           HG3      GLU  23   8.045  -6.106  -8.374
   21    H    GLN  24           HN       GLN  24  10.173  -6.662  -5.784
   22    HA   GLN  24           HA       GLN  24  10.398  -3.772  -5.341
   23    HB2  GLN  24           HB2      GLN  24   8.265  -5.047  -4.726
   24    HB3  GLN  24           HB3      GLN  24   9.203  -5.765  -3.425
   25    HG2  GLN  24           HG2      GLN  24   9.614  -3.553  -2.486
   26    HG3  GLN  24           HG3      GLN  24   8.728  -2.812  -3.818
   27   HE21  GLN  24          HE21      GLN  24   8.237  -2.681  -0.962
   28   HE22  GLN  24          HE22      GLN  24   6.623  -3.252  -0.744
   29    H    SER  25           HN       SER  25  12.426  -6.188  -5.361
   30    HA   SER  25           HA       SER  25  14.533  -6.452  -4.519
   31    HG   SER  25           HG       SER  25  15.821  -5.641  -2.396
   32    HB2  SER  25           HB2      SER  25  14.612  -3.977  -4.290
   33    HB3  SER  25           HB3      SER  25  13.865  -4.110  -2.702
   34    H    ASP  26           HN       ASP  26  11.786  -7.162  -3.126
   35    HA   ASP  26           HA       ASP  26  12.997  -8.594  -0.885
   36    HB2  ASP  26           HB2      ASP  26  12.014  -6.405  -0.086
   37    HB3  ASP  26           HB3      ASP  26  10.440  -6.980  -0.614
   38    H    GLU  27           HN       GLU  27  11.952  -9.147  -3.588
   39    HA   GLU  27           HA       GLU  27  10.712 -10.628  -4.744
   40    HB2  GLU  27           HB2      GLU  27  10.881 -11.874  -2.052
   41    HB3  GLU  27           HB3      GLU  27   9.742 -12.568  -3.192
   42    HG2  GLU  27           HG2      GLU  27  11.858 -13.730  -3.283
   43    HG3  GLU  27           HG3      GLU  27  11.556 -12.890  -4.804
   44    H    ALA  28           HN       ALA  28   8.873 -10.528  -1.682
   45    HA   ALA  28           HA       ALA  28   6.449 -10.450  -3.320
   46    HB1  ALA  28           HB3      ALA  28   5.285 -11.128  -1.287
   47    HB2  ALA  28           HB1      ALA  28   6.648 -12.198  -1.620
   48    HB3  ALA  28           HB2      ALA  28   6.785 -10.964  -0.369
   49    H    VAL  29           HN       VAL  29   4.842  -8.942  -3.041
   50    HA   VAL  29           HA       VAL  29   5.475  -6.292  -2.297
   51    HB   VAL  29           HB       VAL  29   2.698  -7.506  -2.431
   52   HG11  VAL  29          HG11      VAL  29   3.573  -4.655  -2.877
   53   HG12  VAL  29          HG12      VAL  29   1.920  -5.267  -2.864
   54   HG13  VAL  29          HG13      VAL  29   2.872  -5.271  -1.376
   55   HG21  VAL  29          HG23      VAL  29   2.632  -6.732  -4.766
   56   HG22  VAL  29          HG21      VAL  29   4.332  -6.282  -4.649
   57   HG23  VAL  29          HG22      VAL  29   3.857  -7.975  -4.512
   58    H    LYS  30           HN       LYS  30   5.884  -5.632  -0.288
   59    HA   LYS  30           HA       LYS  30   5.532  -7.211   1.936
   60    HB2  LYS  30           HB2      LYS  30   5.793  -4.208   1.836
   61    HB3  LYS  30           HB3      LYS  30   5.940  -5.187   3.292
   62    HG2  LYS  30           HG2      LYS  30   7.901  -6.299   2.407
   63    HG3  LYS  30           HG3      LYS  30   7.722  -5.445   0.873
   64    HD2  LYS  30           HD2      LYS  30   8.132  -3.332   1.940
   65    HD3  LYS  30           HD3      LYS  30   8.177  -4.099   3.526
   66    HE2  LYS  30           HE2      LYS  30  10.102  -4.648   1.270
   67    HE3  LYS  30           HE3      LYS  30  10.426  -3.595   2.647
   68    HZ1  LYS  30           HZ3      LYS  30   9.946  -6.532   2.717
   69    HZ2  LYS  30           HZ1      LYS  30  10.116  -5.550   4.094
   70    HZ3  LYS  30           HZ2      LYS  30  11.408  -5.730   3.019
   71    H    TYR  31           HN       TYR  31   3.897  -7.713   3.186
   72    HA   TYR  31           HA       TYR  31   1.412  -6.189   2.988
   73    HD1  TYR  31           HD2      TYR  31   0.117  -7.670   1.335
   74    HD2  TYR  31           HD1      TYR  31   2.602 -10.558   3.198
   75    HE1  TYR  31           HE2      TYR  31   0.194  -8.940  -0.766
   76    HE2  TYR  31           HE1      TYR  31   2.683 -11.856   1.105
   77    HH   TYR  31           HH       TYR  31   1.218 -12.099  -0.970
   78    HB2  TYR  31           HB2      TYR  31   1.791  -8.795   4.473
   79    HB3  TYR  31           HB3      TYR  31   0.290  -8.045   3.947
   80    H    TYR  32           HN       TYR  32   0.563  -5.117   4.672
   81    HA   TYR  32           HA       TYR  32   2.013  -5.192   7.232
   82    HD1  TYR  32           HD2      TYR  32   1.459  -2.911   3.986
   83    HD2  TYR  32           HD1      TYR  32   3.396  -2.443   7.737
   84    HE1  TYR  32           HE2      TYR  32   3.404  -1.915   2.848
   85    HE2  TYR  32           HE1      TYR  32   5.353  -1.456   6.611
   86    HH   TYR  32           HH       TYR  32   5.296  -0.435   3.390
   87    HB2  TYR  32           HB2      TYR  32   0.206  -3.029   6.116
   88    HB3  TYR  32           HB3      TYR  32   1.077  -2.967   7.647
   89    H    THR  33           HN       THR  33   0.136  -4.217   8.933
   90    HA   THR  33           HA       THR  33  -2.200  -5.980   8.479
   91    HB   THR  33           HB       THR  33  -2.613  -5.804  10.917
   92    HG1  THR  33           HG1      THR  33  -0.075  -4.520  10.973
   93   HG21  THR  33          HG23      THR  33  -0.720  -7.233  11.636
   94   HG22  THR  33          HG21      THR  33   0.117  -6.838  10.132
   95   HG23  THR  33          HG22      THR  33  -1.406  -7.728  10.088
   96    H    LEU  34           HN       LEU  34  -4.315  -5.098   8.706
   97    HA   LEU  34           HA       LEU  34  -4.648  -2.343   8.196
   98    HG   LEU  34           HG       LEU  34  -7.011  -1.681   7.889
   99    HB2  LEU  34           HB2      LEU  34  -6.346  -4.181   7.783
  100    HB3  LEU  34           HB3      LEU  34  -6.659  -4.200   9.506
  101   HD11  LEU  34          HD11      LEU  34  -9.068  -3.840   8.352
  102   HD12  LEU  34          HD12      LEU  34  -9.367  -2.263   7.623
  103   HD13  LEU  34          HD13      LEU  34  -8.334  -3.434   6.801
  104   HD21  LEU  34          HD23      LEU  34  -8.568  -1.101   9.661
  105   HD22  LEU  34          HD21      LEU  34  -8.301  -2.665  10.429
  106   HD23  LEU  34          HD22      LEU  34  -6.984  -1.495  10.331
  107    H    GLU  35           HN       GLU  35  -4.549  -4.294  10.981
  108    HA   GLU  35           HA       GLU  35  -5.373  -2.861  13.106
  109    HB2  GLU  35           HB2      GLU  35  -4.564  -5.189  13.133
  110    HB3  GLU  35           HB3      GLU  35  -2.914  -4.614  12.947
  111    HG2  GLU  35           HG2      GLU  35  -3.029  -3.520  15.123
  112    HG3  GLU  35           HG3      GLU  35  -4.705  -4.032  15.299
  113    H    GLU  36           HN       GLU  36  -2.168  -2.677  11.622
  114    HA   GLU  36           HA       GLU  36  -1.154  -0.899  13.621
  115    HB2  GLU  36           HB2      GLU  36   0.922  -1.057  12.425
  116    HB3  GLU  36           HB3      GLU  36   0.209  -2.659  12.525
  117    HG2  GLU  36           HG2      GLU  36  -0.609  -2.446  10.222
  118    HG3  GLU  36           HG3      GLU  36   0.123  -0.843  10.128
  119    H    ILE  37           HN       ILE  37  -2.479  -0.678  10.467
  120    HA   ILE  37           HA       ILE  37  -1.503   1.918   9.793
  121    HB   ILE  37           HB       ILE  37  -3.833   0.369   8.648
  122   HG12  ILE  37          HG12      ILE  37  -0.944   0.601   7.808
  123   HG13  ILE  37          HG13      ILE  37  -1.728  -0.824   8.486
  124   HG21  ILE  37          HG21      ILE  37  -3.978   2.766   8.126
  125   HG22  ILE  37          HG22      ILE  37  -2.328   2.721   7.504
  126   HG23  ILE  37          HG23      ILE  37  -3.603   1.815   6.682
  127   HD11  ILE  37          HD13      ILE  37  -3.150  -0.991   6.539
  128   HD12  ILE  37          HD11      ILE  37  -2.419   0.466   5.867
  129   HD13  ILE  37          HD12      ILE  37  -1.447  -0.990   6.084
  130    H    GLN  38           HN       GLN  38  -4.197   0.657  11.551
  131    HA   GLN  38           HA       GLN  38  -5.760   2.994  11.777
  132    HB2  GLN  38           HB2      GLN  38  -5.263   0.710  13.677
  133    HB3  GLN  38           HB3      GLN  38  -6.438   1.982  13.975
  134    HG2  GLN  38           HG2      GLN  38  -6.515   0.229  11.529
  135    HG3  GLN  38           HG3      GLN  38  -7.329  -0.173  13.035
  136   HE21  GLN  38          HE21      GLN  38  -7.054   3.070  11.662
  137   HE22  GLN  38          HE22      GLN  38  -8.746   3.267  11.366
  138    H    LYS  39           HN       LYS  39  -2.682   2.146  13.007
  139    HA   LYS  39           HA       LYS  39  -2.694   4.206  15.096
  140    HB2  LYS  39           HB2      LYS  39  -1.769   1.763  15.339
  141    HB3  LYS  39           HB3      LYS  39  -0.390   2.385  14.446
  142    HG2  LYS  39           HG2      LYS  39   0.199   2.549  16.701
  143    HG3  LYS  39           HG3      LYS  39  -0.230   4.190  16.209
  144    HD2  LYS  39           HD2      LYS  39  -1.228   3.829  18.328
  145    HD3  LYS  39           HD3      LYS  39  -2.531   3.736  17.140
  146    HE2  LYS  39           HE2      LYS  39  -2.173   1.242  17.147
  147    HE3  LYS  39           HE3      LYS  39  -1.143   1.479  18.548
  148    HZ1  LYS  39           HZ3      LYS  39  -3.410   0.901  19.186
  149    HZ2  LYS  39           HZ1      LYS  39  -3.992   2.282  18.396
  150    HZ3  LYS  39           HZ2      LYS  39  -2.983   2.446  19.747
  151    H    HIS  40           HN       HIS  40  -1.893   3.701  11.882
  152    HA   HIS  40           HA       HIS  40   0.205   5.752  11.843
  153    HD1  HIS  40           HD1      HIS  40   0.656   1.523  10.103
  154    HD2  HIS  40           HD2      HIS  40   2.553   4.653  12.063
  155    HE1  HIS  40           HE1      HIS  40   2.635   0.485  11.237
  156    HE2  HIS  40           HE2      HIS  40   3.909   2.445  12.176
  157    HB2  HIS  40           HB2      HIS  40  -0.553   3.657   9.796
  158    HB3  HIS  40           HB3      HIS  40   0.655   4.903   9.522
  159    H    ASN  41           HN       ASN  41  -2.269   6.576  12.349
  160    HA   ASN  41           HA       ASN  41  -3.472   7.537   9.827
  161    HB2  ASN  41           HB2      ASN  41  -5.563   7.624  11.067
  162    HB3  ASN  41           HB3      ASN  41  -4.845   6.033  11.283
  163   HD21  ASN  41          HD21      ASN  41  -6.761   7.496  12.927
  164   HD22  ASN  41          HD22      ASN  41  -6.072   7.546  14.514
  165    H    HIS  42           HN       HIS  42  -1.253   8.785  11.579
  166    HA   HIS  42           HA       HIS  42  -2.619  11.289  12.264
  167    HD1  HIS  42           HD1      HIS  42   0.819   9.728  12.962
  168    HD2  HIS  42           HD2      HIS  42  -1.395   8.440  16.250
  169    HE1  HIS  42           HE1      HIS  42   2.231   7.991  14.088
  170    HE2  HIS  42           HE2      HIS  42   0.969   7.411  16.192
  171    HB2  HIS  42           HB2      HIS  42  -1.545  11.347  14.498
  172    HB3  HIS  42           HB3      HIS  42  -2.686  10.023  14.332
  173    H    SER  43           HN       SER  43  -0.888  12.924  13.180
  174    HA   SER  43           HA       SER  43   0.588  13.929  11.220
  175    HG   SER  43           HG       SER  43   0.038  15.731  14.125
  176    HB2  SER  43           HB2      SER  43   1.802  13.937  13.962
  177    HB3  SER  43           HB3      SER  43   1.641  15.269  12.818
  178    H    LYS  44           HN       LYS  44   2.128  11.868  13.698
  179    HA   LYS  44           HA       LYS  44   4.705  11.930  12.645
  180    HB2  LYS  44           HB2      LYS  44   3.338   9.969  14.473
  181    HB3  LYS  44           HB3      LYS  44   5.043   9.834  14.061
  182    HG2  LYS  44           HG2      LYS  44   5.224  12.266  14.830
  183    HG3  LYS  44           HG3      LYS  44   3.654  12.006  15.593
  184    HD2  LYS  44           HD2      LYS  44   5.461  11.615  17.171
  185    HD3  LYS  44           HD3      LYS  44   4.601  10.111  16.839
  186    HE2  LYS  44           HE2      LYS  44   6.328   9.340  15.402
  187    HE3  LYS  44           HE3      LYS  44   7.121  10.917  15.407
  188    HZ1  LYS  44           HZ3      LYS  44   8.217   9.299  16.856
  189    HZ2  LYS  44           HZ1      LYS  44   6.801   9.153  17.781
  190    HZ3  LYS  44           HZ2      LYS  44   7.638  10.631  17.727
  191    H    SER  45           HN       SER  45   2.070  10.048  11.537
  192    HA   SER  45           HA       SER  45   3.618   8.917   9.414
  193    HG   SER  45           HG       SER  45   4.812   7.956  11.361
  194    HB2  SER  45           HB2      SER  45   2.229   6.940  11.245
  195    HB3  SER  45           HB3      SER  45   3.236   6.593   9.846
  196    H    THR  46           HN       THR  46   2.237   9.401   7.754
  197    HA   THR  46           HA       THR  46  -0.638   9.121   8.319
  198    HB   THR  46           HB       THR  46   0.682  10.920   6.274
  199    HG1  THR  46           HG1      THR  46   0.877  11.404   8.675
  200   HG21  THR  46          HG23      THR  46  -1.567  10.258   5.635
  201   HG22  THR  46          HG21      THR  46  -1.541  11.954   6.116
  202   HG23  THR  46          HG22      THR  46  -2.172  10.737   7.219
  203    H    TRP  47           HN       TRP  47  -0.953   7.013   7.645
  204    HA   TRP  47           HA       TRP  47  -0.343   6.490   4.815
  205    HD1  TRP  47           HD1      TRP  47   1.788   6.506   5.793
  206    HE1  TRP  47           HE1      TRP  47   4.018   5.390   6.415
  207    HE3  TRP  47           HE3      TRP  47   0.051   1.872   7.073
  208    HZ2  TRP  47           HZ2      TRP  47   4.921   2.871   7.319
  209    HZ3  TRP  47           HZ3      TRP  47   1.655   0.162   7.804
  210    HH2  TRP  47           HH2      TRP  47   4.056   0.653   7.915
  211    HB2  TRP  47           HB2      TRP  47  -1.026   4.541   7.027
  212    HB3  TRP  47           HB3      TRP  47  -0.836   4.098   5.338
  213    H    LEU  48           HN       LEU  48  -1.991   5.356   3.566
  214    HA   LEU  48           HA       LEU  48  -4.656   5.356   4.718
  215    HG   LEU  48           HG       LEU  48  -3.657   5.970   1.236
  216    HB2  LEU  48           HB2      LEU  48  -5.713   6.441   2.832
  217    HB3  LEU  48           HB3      LEU  48  -4.571   7.517   3.615
  218   HD11  LEU  48          HD11      LEU  48  -5.833   6.850   0.554
  219   HD12  LEU  48          HD12      LEU  48  -5.341   8.459   1.094
  220   HD13  LEU  48          HD13      LEU  48  -4.508   7.690  -0.254
  221   HD21  LEU  48          HD23      LEU  48  -3.114   8.781   2.174
  222   HD22  LEU  48          HD21      LEU  48  -2.090   7.383   2.506
  223   HD23  LEU  48          HD22      LEU  48  -2.313   7.941   0.849
  224    H    ILE  49           HN       ILE  49  -6.231   4.275   3.127
  225    HA   ILE  49           HA       ILE  49  -4.820   2.235   1.558
  226    HB   ILE  49           HB       ILE  49  -7.210   1.767   3.349
  227   HG12  ILE  49          HG12      ILE  49  -4.384   0.681   3.544
  228   HG13  ILE  49          HG13      ILE  49  -5.002   2.026   4.502
  229   HG21  ILE  49          HG21      ILE  49  -5.695  -0.175   1.598
  230   HG22  ILE  49          HG22      ILE  49  -6.989  -0.600   2.718
  231   HG23  ILE  49          HG23      ILE  49  -7.331   0.408   1.311
  232   HD11  ILE  49          HD13      ILE  49  -6.062  -0.799   4.554
  233   HD12  ILE  49          HD11      ILE  49  -5.015  -0.054   5.763
  234   HD13  ILE  49          HD12      ILE  49  -6.651   0.554   5.521
  235    H    LEU  50           HN       LEU  50  -5.365   2.303  -0.462
  236    HA   LEU  50           HA       LEU  50  -8.087   3.198  -1.173
  237    HG   LEU  50           HG       LEU  50  -5.615   5.192  -1.324
  238    HB2  LEU  50           HB2      LEU  50  -5.527   3.243  -2.784
  239    HB3  LEU  50           HB3      LEU  50  -7.107   3.621  -3.442
  240   HD11  LEU  50          HD11      LEU  50  -4.851   5.468  -3.654
  241   HD12  LEU  50          HD12      LEU  50  -6.492   5.952  -4.094
  242   HD13  LEU  50          HD13      LEU  50  -5.553   6.937  -2.972
  243   HD21  LEU  50          HD23      LEU  50  -8.374   5.613  -2.443
  244   HD22  LEU  50          HD21      LEU  50  -7.973   5.205  -0.778
  245   HD23  LEU  50          HD22      LEU  50  -7.506   6.772  -1.440
  246    H    HIS  51           HN       HIS  51  -9.201   1.327  -1.182
  247    HA   HIS  51           HA       HIS  51 -10.017  -0.649  -1.933
  248    HD1  HIS  51           HD1      HIS  51 -10.194  -1.645  -5.925
  249    HD2  HIS  51           HD2      HIS  51 -10.132   1.880  -3.726
  250    HE1  HIS  51           HE1      HIS  51 -11.866  -0.136  -7.043
  251    HE2  HIS  51           HE2      HIS  51 -12.010   1.890  -5.534
  252    HB2  HIS  51           HB2      HIS  51  -7.812  -0.378  -3.967
  253    HB3  HIS  51           HB3      HIS  51  -8.805  -1.829  -3.878
  254    H    HIS  52           HN       HIS  52  -6.580  -1.354  -2.524
  255    HA   HIS  52           HA       HIS  52  -6.597  -3.035  -0.128
  256    HD1  HIS  52           HD1      HIS  52  -7.785  -5.760  -3.566
  257    HD2  HIS  52           HD2      HIS  52  -7.873  -4.879   0.495
  258    HE1  HIS  52           HE1      HIS  52  -9.735  -7.030  -2.647
  259    HE2  HIS  52           HE2      HIS  52  -9.644  -6.632  -0.155
  260    HB2  HIS  52           HB2      HIS  52  -6.148  -3.958  -2.942
  261    HB3  HIS  52           HB3      HIS  52  -5.316  -4.765  -1.619
  262    H    LYS  53           HN       LYS  53  -4.987  -0.926  -2.241
  263    HA   LYS  53           HA       LYS  53  -2.328  -1.690  -1.410
  264    HB2  LYS  53           HB2      LYS  53  -3.173   0.742  -2.972
  265    HB3  LYS  53           HB3      LYS  53  -1.536   0.149  -2.760
  266    HG2  LYS  53           HG2      LYS  53  -3.701  -1.412  -4.142
  267    HG3  LYS  53           HG3      LYS  53  -2.585  -0.335  -4.961
  268    HD2  LYS  53           HD2      LYS  53  -0.703  -1.691  -4.044
  269    HD3  LYS  53           HD3      LYS  53  -1.905  -2.847  -3.463
  270    HE2  LYS  53           HE2      LYS  53  -2.732  -3.109  -5.775
  271    HE3  LYS  53           HE3      LYS  53  -1.476  -2.011  -6.336
  272    HZ1  LYS  53           HZ3      LYS  53  -0.924  -4.376  -6.631
  273    HZ2  LYS  53           HZ1      LYS  53  -0.968  -4.584  -4.951
  274    HZ3  LYS  53           HZ2      LYS  53   0.196  -3.567  -5.649
  275    H    VAL  54           HN       VAL  54  -1.212  -0.806   0.250
  276    HA   VAL  54           HA       VAL  54  -2.463   1.384   1.736
  277    HB   VAL  54           HB       VAL  54  -1.670  -0.469   3.103
  278   HG11  VAL  54          HG11      VAL  54   0.067  -1.305   1.612
  279   HG12  VAL  54          HG12      VAL  54   1.069   0.091   1.997
  280   HG13  VAL  54          HG13      VAL  54   0.663  -1.074   3.256
  281   HG21  VAL  54          HG23      VAL  54  -1.529   1.784   4.047
  282   HG22  VAL  54          HG21      VAL  54  -0.216   0.780   4.658
  283   HG23  VAL  54          HG22      VAL  54   0.096   1.972   3.395
  284    H    TYR  55           HN       TYR  55  -1.801   3.414   1.575
  285    HA   TYR  55           HA       TYR  55   0.654   3.960   0.047
  286    HD1  TYR  55           HD2      TYR  55  -2.862   3.464  -0.561
  287    HD2  TYR  55           HD1      TYR  55  -0.219   6.012  -2.694
  288    HE1  TYR  55           HE2      TYR  55  -3.737   2.596  -2.672
  289    HE2  TYR  55           HE1      TYR  55  -1.110   5.152  -4.813
  290    HH   TYR  55           HH       TYR  55  -3.944   3.333  -4.993
  291    HB2  TYR  55           HB2      TYR  55  -1.803   5.671   0.406
  292    HB3  TYR  55           HB3      TYR  55  -0.336   6.202  -0.402
  293    H    ASP  56           HN       ASP  56   1.755   5.979   0.598
  294    HA   ASP  56           HA       ASP  56   1.308   6.935   3.333
  295    HB2  ASP  56           HB2      ASP  56   3.225   5.529   3.604
  296    HB3  ASP  56           HB3      ASP  56   3.982   6.159   2.145
  297    H    LEU  57           HN       LEU  57   1.993   9.164   3.637
  298    HA   LEU  57           HA       LEU  57   2.402  10.535   1.060
  299    HG   LEU  57           HG       LEU  57  -0.511  10.175   2.429
  300    HB2  LEU  57           HB2      LEU  57   1.061  11.695   3.490
  301    HB3  LEU  57           HB3      LEU  57   1.332  12.526   1.977
  302   HD11  LEU  57          HD11      LEU  57  -2.245  11.808   1.806
  303   HD12  LEU  57          HD12      LEU  57  -1.382  12.254   3.280
  304   HD13  LEU  57          HD13      LEU  57  -1.009  13.068   1.761
  305   HD21  LEU  57          HD23      LEU  57  -1.185  10.499   0.074
  306   HD22  LEU  57          HD21      LEU  57   0.109  11.679  -0.120
  307   HD23  LEU  57          HD22      LEU  57   0.499   9.992   0.213
  308    H    THR  58           HN       THR  58   3.019  10.793   4.520
  309    HA   THR  58           HA       THR  58   4.467  12.024   5.743
  310    HB   THR  58           HB       THR  58   6.910  11.451   5.109
  311    HG1  THR  58           HG1      THR  58   5.855   9.334   3.602
  312   HG21  THR  58          HG23      THR  58   5.646  10.343   6.907
  313   HG22  THR  58          HG21      THR  58   6.651   9.191   6.030
  314   HG23  THR  58          HG22      THR  58   4.914   9.254   5.730
  315    H    LYS  59           HN       LYS  59   6.471  12.305   2.854
  316    HA   LYS  59           HA       LYS  59   7.068  15.020   3.352
  317    HB2  LYS  59           HB2      LYS  59   8.101  14.982   1.097
  318    HB3  LYS  59           HB3      LYS  59   8.571  13.595   2.069
  319    HG2  LYS  59           HG2      LYS  59   7.123  12.155   0.859
  320    HG3  LYS  59           HG3      LYS  59   6.372  13.509   0.020
  321    HD2  LYS  59           HD2      LYS  59   7.897  12.489  -1.497
  322    HD3  LYS  59           HD3      LYS  59   8.591  14.025  -0.989
  323    HE2  LYS  59           HE2      LYS  59  10.381  12.534  -0.934
  324    HE3  LYS  59           HE3      LYS  59   9.879  12.662   0.749
  325    HZ1  LYS  59           HZ3      LYS  59   9.034  10.485  -1.085
  326    HZ2  LYS  59           HZ1      LYS  59   8.733  10.589   0.577
  327    HZ3  LYS  59           HZ2      LYS  59  10.311  10.369   0.018
  328    H    PHE  60           HN       PHE  60   4.585  13.417   1.534
  329    HA   PHE  60           HA       PHE  60   4.094  15.331  -0.421
  330    HD1  PHE  60           HD1      PHE  60   3.765  14.713  -2.435
  331    HD2  PHE  60           HD2      PHE  60   0.125  13.363  -0.701
  332    HE1  PHE  60           HE1      PHE  60   2.602  15.178  -4.544
  333    HE2  PHE  60           HE2      PHE  60  -1.054  13.837  -2.821
  334    HZ   PHE  60           HZ       PHE  60   0.191  14.754  -4.740
  335    HB2  PHE  60           HB2      PHE  60   3.406  12.870  -0.321
  336    HB3  PHE  60           HB3      PHE  60   2.011  13.420   0.600
  337    H    LEU  61           HN       LEU  61   3.199  15.287   2.841
  338    HA   LEU  61           HA       LEU  61   0.633  16.314   2.930
  339    HG   LEU  61           HG       LEU  61   2.533  14.354   4.653
  340    HB2  LEU  61           HB2      LEU  61   2.897  16.786   4.874
  341    HB3  LEU  61           HB3      LEU  61   1.204  17.018   5.229
  342   HD11  LEU  61          HD11      LEU  61   1.375  15.469   7.201
  343   HD12  LEU  61          HD12      LEU  61   2.124  13.887   6.986
  344   HD13  LEU  61          HD13      LEU  61   3.098  15.353   6.839
  345   HD21  LEU  61          HD23      LEU  61   0.230  14.392   3.848
  346   HD22  LEU  61          HD21      LEU  61   0.359  13.408   5.303
  347   HD23  LEU  61          HD22      LEU  61  -0.314  15.034   5.396
  348    H    GLU  62           HN       GLU  62   3.565  17.830   2.160
  349    HA   GLU  62           HA       GLU  62   2.801  20.522   2.916
  350    HB2  GLU  62           HB2      GLU  62   5.235  19.601   1.372
  351    HB3  GLU  62           HB3      GLU  62   5.027  21.112   2.249
  352    HG2  GLU  62           HG2      GLU  62   4.995  18.441   3.625
  353    HG3  GLU  62           HG3      GLU  62   6.484  19.335   3.310
  354    H    GLU  63           HN       GLU  63   2.461  18.489   0.236
  355    HA   GLU  63           HA       GLU  63   2.660  20.710  -1.705
  356    HB2  GLU  63           HB2      GLU  63   3.088  17.756  -2.200
  357    HB3  GLU  63           HB3      GLU  63   3.416  19.072  -3.319
  358    HG2  GLU  63           HG2      GLU  63   5.166  19.920  -1.869
  359    HG3  GLU  63           HG3      GLU  63   4.808  18.672  -0.677
  360    H    HIS  64           HN       HIS  64   0.705  18.134  -0.487
  361    HA   HIS  64           HA       HIS  64  -0.971  17.762  -2.696
  362    HD1  HIS  64           HD1      HIS  64  -3.873  16.708   0.639
  363    HD2  HIS  64           HD2      HIS  64  -2.538  15.132  -3.026
  364    HE1  HIS  64           HE1      HIS  64  -5.795  15.314  -0.305
  365    HB2  HIS  64           HB3      HIS  64  -0.673  16.126  -0.878
  366    HB3  HIS  64           HB2      HIS  64  -1.467  17.190   0.236
  367    HA   PRO  65           HA       PRO  65  -3.066  21.646  -2.799
  368    HB2  PRO  65           HB2      PRO  65  -5.415  20.029  -3.669
  369    HB3  PRO  65           HB3      PRO  65  -4.676  21.439  -4.429
  370    HG2  PRO  65           HG2      PRO  65  -4.277  19.000  -5.408
  371    HG3  PRO  65           HG3      PRO  65  -2.966  20.197  -5.398
  372    HD2  PRO  65           HD2      PRO  65  -3.378  17.812  -3.671
  373    HD3  PRO  65           HD3      PRO  65  -1.870  18.559  -4.238
  374    H    GLY  66           HN       GLY  66  -4.990  18.946  -1.407
  375    HA2  GLY  66           HA1      GLY  66  -6.790  20.895  -0.225
  376    HA3  GLY  66           HA2      GLY  66  -7.015  19.155  -0.235
  377    H    GLY  67           HN       GLY  67  -4.388  21.223   0.957
  378    HA2  GLY  67           HA1      GLY  67  -3.489  21.523   3.035
  379    HA3  GLY  67           HA2      GLY  67  -5.023  20.981   3.697
  380    H    GLU  68           HN       GLU  68  -3.536  20.078   5.355
  381    HA   GLU  68           HA       GLU  68  -2.728  17.364   4.550
  382    HB2  GLU  68           HB2      GLU  68  -0.959  17.445   6.273
  383    HB3  GLU  68           HB3      GLU  68  -0.719  18.590   4.970
  384    HG2  GLU  68           HG2      GLU  68  -0.188  19.912   6.718
  385    HG3  GLU  68           HG3      GLU  68  -1.921  20.220   6.682
  386    H    GLU  69           HN       GLU  69  -4.037  19.408   7.058
  387    HA   GLU  69           HA       GLU  69  -4.207  17.527   9.129
  388    HB2  GLU  69           HB2      GLU  69  -5.676  19.128  10.233
  389    HB3  GLU  69           HB3      GLU  69  -4.276  19.926   9.535
  390    HG2  GLU  69           HG2      GLU  69  -5.613  20.686   7.666
  391    HG3  GLU  69           HG3      GLU  69  -7.023  19.854   8.322
  392    H    VAL  70           HN       VAL  70  -6.268  18.159   6.434
  393    HA   VAL  70           HA       VAL  70  -8.532  16.781   7.602
  394    HB   VAL  70           HB       VAL  70  -9.635  17.221   5.395
  395   HG11  VAL  70          HG11      VAL  70  -9.890  19.604   5.786
  396   HG12  VAL  70          HG12      VAL  70  -9.817  18.747   7.324
  397   HG13  VAL  70          HG13      VAL  70  -8.406  19.632   6.740
  398   HG21  VAL  70          HG23      VAL  70  -7.035  18.663   4.842
  399   HG22  VAL  70          HG21      VAL  70  -7.694  17.284   3.955
  400   HG23  VAL  70          HG22      VAL  70  -8.513  18.845   3.894
  401    H    LEU  71           HN       LEU  71  -5.742  15.837   6.079
  402    HA   LEU  71           HA       LEU  71  -6.715  13.623   4.567
  403    HG   LEU  71           HG       LEU  71  -3.246  14.317   3.415
  404    HB2  LEU  71           HB2      LEU  71  -4.060  14.451   5.665
  405    HB3  LEU  71           HB3      LEU  71  -4.252  12.803   5.097
  406   HD11  LEU  71          HD11      LEU  71  -4.505  12.326   2.726
  407   HD12  LEU  71          HD12      LEU  71  -5.971  13.302   2.627
  408   HD13  LEU  71          HD13      LEU  71  -4.617  13.630   1.542
  409   HD21  LEU  71          HD23      LEU  71  -4.391  16.392   3.983
  410   HD22  LEU  71          HD21      LEU  71  -4.657  15.986   2.286
  411   HD23  LEU  71          HD22      LEU  71  -5.926  15.693   3.473
  412    H    ARG  72           HN       ARG  72  -5.582  14.128   7.818
  413    HA   ARG  72           HA       ARG  72  -5.106  11.523   8.617
  414    HE   ARG  72           HE       ARG  72  -7.681  15.282  12.577
  415    HB2  ARG  72           HB2      ARG  72  -4.912  12.378  10.784
  416    HB3  ARG  72           HB3      ARG  72  -4.456  13.702   9.723
  417    HG2  ARG  72           HG2      ARG  72  -6.682  14.669   9.960
  418    HG3  ARG  72           HG3      ARG  72  -7.124  13.328  11.010
  419    HD2  ARG  72           HD2      ARG  72  -5.483  14.015  12.646
  420    HD3  ARG  72           HD3      ARG  72  -4.904  15.291  11.576
  421   HH11  ARG  72          HH12      ARG  72  -4.541  16.813  12.269
  422   HH12  ARG  72          HH11      ARG  72  -5.065  18.328  12.929
  423   HH21  ARG  72          HH22      ARG  72  -8.408  17.268  13.387
  424   HH22  ARG  72          HH21      ARG  72  -7.313  18.602  13.555
  425    H    GLU  73           HN       GLU  73  -8.075  13.168   8.355
  426    HA   GLU  73           HA       GLU  73  -9.680  11.692  10.144
  427    HB2  GLU  73           HB2      GLU  73 -10.305  13.882   9.262
  428    HB3  GLU  73           HB3      GLU  73 -10.377  13.226   7.632
  429    HG2  GLU  73           HG2      GLU  73 -12.606  13.399   8.342
  430    HG3  GLU  73           HG3      GLU  73 -12.207  11.688   8.502
  431    H    GLN  74           HN       GLN  74  -8.697  11.224   6.823
  432    HA   GLN  74           HA       GLN  74 -10.461   8.886   6.553
  433    HB2  GLN  74           HB2      GLN  74  -8.990  10.522   4.464
  434    HB3  GLN  74           HB3      GLN  74 -10.013   9.131   4.118
  435    HG2  GLN  74           HG2      GLN  74 -10.929  11.691   5.416
  436    HG3  GLN  74           HG3      GLN  74 -11.138  11.267   3.722
  437   HE21  GLN  74          HE21      GLN  74 -12.622   9.675   3.174
  438   HE22  GLN  74          HE22      GLN  74 -13.887   9.198   4.249
  439    H    ALA  75           HN       ALA  75  -7.313   9.911   7.070
  440    HA   ALA  75           HA       ALA  75  -5.890   7.730   5.868
  441    HB1  ALA  75           HB3      ALA  75  -4.908   9.685   7.961
  442    HB2  ALA  75           HB1      ALA  75  -3.935   8.692   6.868
  443    HB3  ALA  75           HB2      ALA  75  -4.919   9.996   6.223
  444    H    GLY  76           HN       GLY  76  -4.872   6.020   6.915
  445    HA2  GLY  76           HA1      GLY  76  -4.419   4.710   8.873
  446    HA3  GLY  76           HA2      GLY  76  -5.808   5.466   9.642
  447    H    GLY  77           HN       GLY  77  -6.828   4.881   6.635
  448    HA2  GLY  77           HA1      GLY  77  -7.094   2.097   6.446
  449    HA3  GLY  77           HA2      GLY  77  -8.501   2.739   7.306
  450    H    ASP  78           HN       ASP  78 -10.083   2.525   5.786
  451    HA   ASP  78           HA       ASP  78  -9.712   3.021   3.039
  452    HB2  ASP  78           HB2      ASP  78 -12.166   2.748   4.747
  453    HB3  ASP  78           HB3      ASP  78 -12.304   3.278   3.075
  454    H    ALA  79           HN       ALA  79  -9.276   4.840   2.128
  455    HA   ALA  79           HA       ALA  79 -10.806   7.211   3.010
  456    HB1  ALA  79           HB3      ALA  79  -8.023   7.140   1.799
  457    HB2  ALA  79           HB1      ALA  79  -8.910   8.603   2.241
  458    HB3  ALA  79           HB2      ALA  79  -8.398   7.467   3.492
  459    H    THR  80           HN       THR  80 -10.836   4.904   0.871
  460    HA   THR  80           HA       THR  80 -10.241   6.009  -1.628
  461    HB   THR  80           HB       THR  80 -10.321   3.551  -1.012
  462    HG1  THR  80           HG1      THR  80 -11.863   3.799  -3.321
  463   HG21  THR  80          HG23      THR  80 -12.579   3.589  -0.006
  464   HG22  THR  80          HG21      THR  80 -12.416   2.376  -1.270
  465   HG23  THR  80          HG22      THR  80 -13.266   3.883  -1.604
  466    H    GLU  81           HN       GLU  81 -12.891   6.618   0.333
  467    HA   GLU  81           HA       GLU  81 -15.087   6.867  -1.293
  468    HB2  GLU  81           HB2      GLU  81 -14.170   8.945   0.704
  469    HB3  GLU  81           HB3      GLU  81 -15.820   8.678   0.153
  470    HG2  GLU  81           HG2      GLU  81 -14.140   6.838   1.850
  471    HG3  GLU  81           HG3      GLU  81 -15.574   7.739   2.335
  472    H    ASN  82           HN       ASN  82 -12.610   9.367  -0.786
  473    HA   ASN  82           HA       ASN  82 -13.753  11.236  -2.571
  474    HB2  ASN  82           HB2      ASN  82 -11.875  12.597  -2.119
  475    HB3  ASN  82           HB3      ASN  82 -12.153  11.686  -0.639
  476   HD21  ASN  82          HD21      ASN  82 -10.067  12.269  -3.291
  477   HD22  ASN  82          HD22      ASN  82  -8.753  11.293  -2.749
  478    H    PHE  83           HN       PHE  83 -11.699   8.578  -2.999
  479    HA   PHE  83           HA       PHE  83 -10.321   9.427  -5.358
  480    HD1  PHE  83           HD1      PHE  83  -7.866   8.511  -5.783
  481    HD2  PHE  83           HD2      PHE  83 -10.326   5.049  -5.658
  482    HE1  PHE  83           HE1      PHE  83  -6.520   7.488  -7.571
  483    HE2  PHE  83           HE2      PHE  83  -8.987   4.022  -7.443
  484    HZ   PHE  83           HZ       PHE  83  -7.075   5.229  -8.390
  485    HB2  PHE  83           HB2      PHE  83  -9.321   7.855  -3.745
  486    HB3  PHE  83           HB3      PHE  83 -10.617   6.706  -4.055
  487    H    GLU  84           HN       GLU  84 -13.303   7.850  -4.665
  488    HA   GLU  84           HA       GLU  84 -13.571   6.969  -7.466
  489    HB2  GLU  84           HB2      GLU  84 -14.721   5.726  -4.962
  490    HB3  GLU  84           HB3      GLU  84 -15.000   5.152  -6.603
  491    HG2  GLU  84           HG2      GLU  84 -12.603   4.721  -6.846
  492    HG3  GLU  84           HG3      GLU  84 -12.339   5.265  -5.192
  493    H    ASP  85           HN       ASP  85 -14.706   8.989  -5.090
  494    HA   ASP  85           HA       ASP  85 -17.480   9.122  -5.854
  495    HB2  ASP  85           HB2      ASP  85 -16.791   9.524  -3.534
  496    HB3  ASP  85           HB3      ASP  85 -15.810  10.887  -4.052
  497    H    VAL  86           HN       VAL  86 -15.364  11.922  -5.525
  498    HA   VAL  86           HA       VAL  86 -15.821  12.691  -8.300
  499    HB   VAL  86           HB       VAL  86 -16.799  14.377  -5.988
  500   HG11  VAL  86          HG11      VAL  86 -17.315  16.105  -7.648
  501   HG12  VAL  86          HG12      VAL  86 -15.584  15.782  -7.557
  502   HG13  VAL  86          HG13      VAL  86 -16.531  15.132  -8.894
  503   HG21  VAL  86          HG23      VAL  86 -18.242  13.321  -8.423
  504   HG22  VAL  86          HG21      VAL  86 -18.379  12.672  -6.789
  505   HG23  VAL  86          HG22      VAL  86 -18.947  14.304  -7.139
  506    H    GLY  87           HN       GLY  87 -14.390  13.527  -5.156
  507    HA2  GLY  87           HA1      GLY  87 -12.767  15.625  -6.264
  508    HA3  GLY  87           HA2      GLY  87 -12.738  15.044  -4.609
  509    H    HIS  88           HN       HIS  88 -12.027  13.600  -7.782
  510    HA   HIS  88           HA       HIS  88  -9.220  13.709  -7.487
  511    HD1  HIS  88           HD1      HIS  88  -7.925   9.760  -5.807
  512    HD2  HIS  88           HD2      HIS  88  -8.224  13.899  -5.531
  513    HE1  HIS  88           HE1      HIS  88  -6.121  10.492  -4.192
  514    HB2  HIS  88           HB2      HIS  88 -10.494  11.339  -6.386
  515    HB3  HIS  88           HB3      HIS  88  -9.392  10.933  -7.698
  516    H    SER  89           HN       SER  89  -8.607  13.989  -9.564
  517    HA   SER  89           HA       SER  89 -10.285  12.904 -11.660
  518    HG   SER  89           HG       SER  89  -7.726  15.812 -11.346
  519    HB2  SER  89           HB2      SER  89  -8.865  14.256 -13.196
  520    HB3  SER  89           HB3      SER  89  -9.637  15.205 -11.927
  521    H    THR  90           HN       THR  90  -8.596  12.374 -13.752
  522    HA   THR  90           HA       THR  90  -7.671   9.792 -13.154
  523    HB   THR  90           HB       THR  90  -6.797  11.448 -15.513
  524    HG1  THR  90           HG1      THR  90  -8.890  10.058 -16.215
  525   HG21  THR  90          HG23      THR  90  -5.747   9.219 -15.230
  526   HG22  THR  90          HG21      THR  90  -6.749   9.309 -16.681
  527   HG23  THR  90          HG22      THR  90  -7.352   8.490 -15.238
  528    H    ASP  91           HN       ASP  91  -6.150  12.883 -13.045
  529    HA   ASP  91           HA       ASP  91  -3.463  12.406 -13.226
  530    HB2  ASP  91           HB2      ASP  91  -4.507  14.624 -12.887
  531    HB3  ASP  91           HB3      ASP  91  -4.811  14.212 -11.206
  532    H    ALA  92           HN       ALA  92  -5.366  12.252 -10.200
  533    HA   ALA  92           HA       ALA  92  -3.075  11.276  -8.731
  534    HB1  ALA  92           HB3      ALA  92  -5.917  11.556  -7.798
  535    HB2  ALA  92           HB1      ALA  92  -4.481  11.381  -6.789
  536    HB3  ALA  92           HB2      ALA  92  -4.715  12.848  -7.749
  537    H    ARG  93           HN       ARG  93  -4.992   9.747 -10.808
  538    HA   ARG  93           HA       ARG  93  -5.218   7.248  -9.264
  539    HE   ARG  93           HE       ARG  93  -9.908   8.995 -10.139
  540    HB2  ARG  93           HB2      ARG  93  -6.101   7.871 -12.092
  541    HB3  ARG  93           HB3      ARG  93  -6.469   6.409 -11.190
  542    HG2  ARG  93           HG2      ARG  93  -7.808   7.683  -9.618
  543    HG3  ARG  93           HG3      ARG  93  -7.382   9.178 -10.455
  544    HD2  ARG  93           HD2      ARG  93  -8.451   8.271 -12.502
  545    HD3  ARG  93           HD3      ARG  93  -8.989   6.876 -11.562
  546   HH11  ARG  93          HH12      ARG  93 -10.279   8.082 -13.516
  547   HH12  ARG  93          HH11      ARG  93 -11.870   8.768 -13.643
  548   HH21  ARG  93          HH22      ARG  93 -11.971   9.922 -10.347
  549   HH22  ARG  93          HH21      ARG  93 -12.822   9.815 -11.857
  550    H    GLU  94           HN       GLU  94  -3.107   8.939 -11.061
  551    HA   GLU  94           HA       GLU  94  -1.680   6.623 -12.223
  552    HB2  GLU  94           HB2      GLU  94  -2.679   8.192 -13.882
  553    HB3  GLU  94           HB3      GLU  94  -1.753   9.500 -13.163
  554    HG2  GLU  94           HG2      GLU  94  -0.540   8.913 -15.039
  555    HG3  GLU  94           HG3      GLU  94   0.299   8.124 -13.706
  556    H    MET  95           HN       MET  95  -1.499   9.767 -10.722
  557    HA   MET  95           HA       MET  95   1.323   9.966 -10.634
  558    HB2  MET  95           HB2      MET  95  -0.284  11.881 -10.665
  559    HB3  MET  95           HB3      MET  95  -0.722  11.493  -9.011
  560    HG2  MET  95           HG2      MET  95   0.866  13.331  -9.098
  561    HG3  MET  95           HG3      MET  95   1.546  11.925  -8.277
  562    HE1  MET  95           HE3      MET  95   2.574  12.913 -12.674
  563    HE2  MET  95           HE1      MET  95   1.035  12.260 -12.116
  564    HE3  MET  95           HE2      MET  95   1.482  13.914 -11.720
  565    H    SER  96           HN       SER  96  -1.006   8.565  -8.500
  566    HA   SER  96           HA       SER  96   0.342   9.062  -6.052
  567    HG   SER  96           HG       SER  96  -2.527   6.254  -6.422
  568    HB2  SER  96           HB2      SER  96  -1.308   7.457  -5.112
  569    HB3  SER  96           HB3      SER  96  -2.055   8.731  -6.084
  570    H    LYS  97           HN       LYS  97   1.145   6.991  -8.485
  571    HA   LYS  97           HA       LYS  97   1.221   4.471  -7.209
  572    HB2  LYS  97           HB2      LYS  97   2.561   5.591  -9.661
  573    HB3  LYS  97           HB3      LYS  97   2.576   3.878  -9.234
  574    HG2  LYS  97           HG2      LYS  97   0.102   3.891  -9.303
  575    HG3  LYS  97           HG3      LYS  97   0.149   5.576  -9.808
  576    HD2  LYS  97           HD2      LYS  97   1.311   4.998 -11.831
  577    HD3  LYS  97           HD3      LYS  97   1.418   3.307 -11.319
  578    HE2  LYS  97           HE2      LYS  97  -1.074   4.869 -12.015
  579    HE3  LYS  97           HE3      LYS  97  -0.382   3.499 -12.887
  580    HZ1  LYS  97           HZ3      LYS  97  -1.477   3.379 -10.140
  581    HZ2  LYS  97           HZ1      LYS  97  -0.875   2.075 -11.037
  582    HZ3  LYS  97           HZ2      LYS  97  -2.289   2.871 -11.532
  583    H    THR  98           HN       THR  98   3.477   7.127  -7.231
  584    HA   THR  98           HA       THR  98   5.773   5.536  -6.482
  585    HB   THR  98           HB       THR  98   6.670   7.936  -5.948
  586    HG1  THR  98           HG1      THR  98   5.339   9.523  -6.403
  587   HG21  THR  98          HG23      THR  98   7.407   6.689  -7.906
  588   HG22  THR  98          HG21      THR  98   7.101   8.369  -8.342
  589   HG23  THR  98          HG22      THR  98   5.928   7.124  -8.763
  590    H    PHE  99           HN       PHE  99   3.079   6.209  -4.862
  591    HA   PHE  99           HA       PHE  99   4.411   6.636  -2.275
  592    HD1  PHE  99           HD1      PHE  99   4.346   8.789  -1.054
  593    HD2  PHE  99           HD2      PHE  99   1.859   9.283  -4.470
  594    HE1  PHE  99           HE1      PHE  99   5.269  11.048  -1.393
  595    HE2  PHE  99           HE2      PHE  99   2.774  11.531  -4.817
  596    HZ   PHE  99           HZ       PHE  99   4.474  12.431  -3.283
  597    HB2  PHE  99           HB2      PHE  99   1.643   7.387  -3.207
  598    HB3  PHE  99           HB3      PHE  99   2.136   7.438  -1.515
  599    H    ILE 100           HN       ILE 100   3.178   4.273  -4.119
  600    HA   ILE 100           HA       ILE 100   1.565   2.893  -2.158
  601    HB   ILE 100           HB       ILE 100   2.691   1.796  -4.752
  602   HG12  ILE 100          HG12      ILE 100  -0.052   2.982  -4.191
  603   HG13  ILE 100          HG13      ILE 100   1.210   3.727  -5.170
  604   HG21  ILE 100          HG21      ILE 100   0.864   0.134  -4.487
  605   HG22  ILE 100          HG22      ILE 100   2.087   0.037  -3.216
  606   HG23  ILE 100          HG23      ILE 100   0.533   0.807  -2.895
  607   HD11  ILE 100          HD13      ILE 100   1.061   1.929  -6.767
  608   HD12  ILE 100          HD11      ILE 100  -0.141   1.111  -5.776
  609   HD13  ILE 100          HD12      ILE 100  -0.523   2.663  -6.528
  610    H    ILE 101           HN       ILE 101   2.619   2.111  -0.400
  611    HA   ILE 101           HA       ILE 101   5.374   1.219  -0.639
  612    HB   ILE 101           HB       ILE 101   5.289   0.923   1.814
  613   HG12  ILE 101          HG12      ILE 101   2.553   2.203   1.555
  614   HG13  ILE 101          HG13      ILE 101   2.844   0.518   1.982
  615   HG21  ILE 101          HG21      ILE 101   6.085   2.967   0.766
  616   HG22  ILE 101          HG22      ILE 101   4.447   3.620   0.759
  617   HG23  ILE 101          HG23      ILE 101   5.268   3.310   2.286
  618   HD11  ILE 101          HD13      ILE 101   4.061   1.266   3.988
  619   HD12  ILE 101          HD11      ILE 101   3.697   2.938   3.561
  620   HD13  ILE 101          HD12      ILE 101   2.393   1.827   3.960
  621    H    GLY 102           HN       GLY 102   2.219  -0.245  -0.212
  622    HA2  GLY 102           HA1      GLY 102   3.125  -2.717  -1.139
  623    HA3  GLY 102           HA2      GLY 102   3.150  -2.786   0.616
  624    H    GLU 103           HN       GLU 103   1.537  -4.338   0.709
  625    HA   GLU 103           HA       GLU 103  -1.150  -3.270   0.163
  626    HB2  GLU 103           HB2      GLU 103  -0.175  -6.091  -0.336
  627    HB3  GLU 103           HB3      GLU 103  -1.874  -5.645  -0.341
  628    HG2  GLU 103           HG2      GLU 103  -1.412  -4.073  -2.189
  629    HG3  GLU 103           HG3      GLU 103   0.262  -4.625  -2.206
  630    H    LEU 104           HN       LEU 104  -2.759  -4.924   1.359
  631    HA   LEU 104           HA       LEU 104  -2.000  -4.755   4.148
  632    HG   LEU 104           HG       LEU 104  -3.969  -3.124   2.605
  633    HB2  LEU 104           HB2      LEU 104  -4.607  -5.498   2.841
  634    HB3  LEU 104           HB3      LEU 104  -4.379  -5.346   4.576
  635   HD11  LEU 104          HD11      LEU 104  -6.032  -2.176   3.515
  636   HD12  LEU 104          HD12      LEU 104  -6.301  -3.694   2.658
  637   HD13  LEU 104          HD13      LEU 104  -6.289  -3.668   4.421
  638   HD21  LEU 104          HD23      LEU 104  -2.634  -2.904   4.605
  639   HD22  LEU 104          HD21      LEU 104  -3.933  -1.709   4.583
  640   HD23  LEU 104          HD22      LEU 104  -4.071  -3.146   5.600
  641    H    HIS 105           HN       HIS 105  -2.591  -6.529   5.628
  642    HA   HIS 105           HA       HIS 105  -1.203  -8.872   5.093
  643    HD1  HIS 105           HD1      HIS 105  -3.820 -11.001   7.848
  644    HD2  HIS 105           HD2      HIS 105   0.183 -10.021   7.314
  645    HE1  HIS 105           HE1      HIS 105  -2.520 -12.971   8.733
  646    HE2  HIS 105           HE2      HIS 105  -0.105 -12.402   8.293
  647    HB2  HIS 105           HB2      HIS 105  -2.006  -7.967   7.349
  648    HB3  HIS 105           HB3      HIS 105  -3.564  -8.708   6.994
  649    HA   PRO 106           HA       PRO 106  -3.927 -11.721   2.764
  650    HB2  PRO 106           HB2      PRO 106  -2.827 -13.582   4.847
  651    HB3  PRO 106           HB3      PRO 106  -2.959 -13.816   3.101
  652    HG2  PRO 106           HG2      PRO 106  -0.622 -13.234   4.155
  653    HG3  PRO 106           HG3      PRO 106  -1.124 -12.435   2.654
  654    HD2  PRO 106           HD2      PRO 106  -1.065 -11.376   5.454
  655    HD3  PRO 106           HD3      PRO 106  -0.661 -10.556   3.929
  656    H    ASP 107           HN       ASP 107  -5.257 -10.162   4.536
  657    HA   ASP 107           HA       ASP 107  -7.183 -11.898   5.861
  658    HB2  ASP 107           HB2      ASP 107  -5.518 -11.315   7.582
  659    HB3  ASP 107           HB3      ASP 107  -5.699  -9.609   7.193
  660    H    ASP 108           HN       ASP 108  -6.113  -8.636   4.994
  661    HA   ASP 108           HA       ASP 108  -8.839  -7.788   4.394
  662    HB2  ASP 108           HB2      ASP 108  -7.052  -6.205   5.415
  663    HB3  ASP 108           HB3      ASP 108  -6.326  -6.222   3.817
  664    H    ARG 109           HN       ARG 109  -5.790  -8.616   2.856
  665    HA   ARG 109           HA       ARG 109  -6.122  -7.529   0.358
  666    HE   ARG 109           HE       ARG 109  -3.192 -11.061  -0.909
  667    HB2  ARG 109           HB2      ARG 109  -4.194  -9.061   1.550
  668    HB3  ARG 109           HB3      ARG 109  -4.819 -10.156   0.319
  669    HG2  ARG 109           HG2      ARG 109  -4.441  -8.417  -1.382
  670    HG3  ARG 109           HG3      ARG 109  -3.736  -7.381  -0.144
  671    HD2  ARG 109           HD2      ARG 109  -1.931  -8.407  -1.254
  672    HD3  ARG 109           HD3      ARG 109  -2.089  -9.226   0.302
  673   HH11  ARG 109          HH12      ARG 109  -1.276  -8.781  -2.772
  674   HH12  ARG 109          HH11      ARG 109  -0.952  -9.926  -4.048
  675   HH21  ARG 109          HH22      ARG 109  -2.785 -12.539  -2.573
  676   HH22  ARG 109          HH21      ARG 109  -1.824 -12.071  -3.944
  677    HA   PRO 110           HA       PRO 110  -8.507 -11.249  -1.277
  678    HB2  PRO 110           HB2      PRO 110  -9.176 -13.348   0.276
  679    HB3  PRO 110           HB3      PRO 110  -7.617 -13.253  -0.549
  680    HG2  PRO 110           HG2      PRO 110  -8.285 -12.752   2.297
  681    HG3  PRO 110           HG3      PRO 110  -6.844 -13.496   1.602
  682    HD2  PRO 110           HD2      PRO 110  -7.007 -10.878   2.499
  683    HD3  PRO 110           HD3      PRO 110  -5.790 -11.497   1.361
  684    H    LYS 111           HN       LYS 111  -9.172 -10.671   2.120
  685    HA   LYS 111           HA       LYS 111 -10.930  -9.926   3.293
  686    HB2  LYS 111           HB2      LYS 111 -11.102  -8.563   0.863
  687    HB3  LYS 111           HB3      LYS 111 -12.738  -9.129   1.188
  688    HG2  LYS 111           HG2      LYS 111 -13.013  -7.757   2.951
  689    HG3  LYS 111           HG3      LYS 111 -11.352  -7.964   3.505
  690    HD2  LYS 111           HD2      LYS 111 -10.626  -6.472   1.635
  691    HD3  LYS 111           HD3      LYS 111 -12.326  -6.156   1.297
  692    HE2  LYS 111           HE2      LYS 111 -12.649  -5.041   3.336
  693    HE3  LYS 111           HE3      LYS 111 -11.177  -5.720   4.037
  694    HZ1  LYS 111           HZ3      LYS 111 -10.852  -3.418   3.465
  695    HZ2  LYS 111           HZ1      LYS 111 -11.309  -3.701   1.862
  696    HZ3  LYS 111           HZ2      LYS 111  -9.885  -4.388   2.476
  697    H    LEU 112           HN       LEU 112 -12.141 -11.601   0.407
  698    HA   LEU 112           HA       LEU 112 -13.529 -13.460   2.229
  699    HG   LEU 112           HG       LEU 112 -15.495 -14.809   0.500
  700    HB2  LEU 112           HB2      LEU 112 -15.060 -11.834   0.889
  701    HB3  LEU 112           HB3      LEU 112 -14.556 -12.766  -0.508
  702   HD11  LEU 112          HD11      LEU 112 -16.415 -12.944   2.684
  703   HD12  LEU 112          HD12      LEU 112 -16.938 -14.617   2.486
  704   HD13  LEU 112          HD13      LEU 112 -15.250 -14.255   2.837
  705   HD21  LEU 112          HD23      LEU 112 -16.854 -13.483  -1.011
  706   HD22  LEU 112          HD21      LEU 112 -17.848 -14.214   0.246
  707   HD23  LEU 112          HD22      LEU 112 -17.431 -12.499   0.335
  708    H    ASN 113           HN       ASN 113 -14.159 -15.473   0.585
  709    HA   ASN 113           HA       ASN 113 -13.625 -17.009  -1.015
  710    HB2  ASN 113           HB2      ASN 113 -12.290 -14.550  -2.095
  711    HB3  ASN 113           HB3      ASN 113 -12.223 -16.081  -2.965
  712   HD21  ASN 113          HD21      ASN 113 -14.794 -17.035  -2.392
  713   HD22  ASN 113          HD22      ASN 113 -15.945 -16.010  -3.187
  714    H    LYS 114           HN       LYS 114 -11.601 -16.231   1.276
  715    HA   LYS 114           HA       LYS 114  -9.180 -17.416   0.129
  716    HB2  LYS 114           HB2      LYS 114  -8.738 -15.342   1.243
  717    HB3  LYS 114           HB3      LYS 114  -9.679 -15.820   2.657
  718    HG2  LYS 114           HG2      LYS 114  -7.995 -17.630   3.055
  719    HG3  LYS 114           HG3      LYS 114  -7.030 -16.931   1.750
  720    HD2  LYS 114           HD2      LYS 114  -6.863 -14.828   2.974
  721    HD3  LYS 114           HD3      LYS 114  -7.882 -15.493   4.260
  722    HE2  LYS 114           HE2      LYS 114  -5.215 -16.607   3.400
  723    HE3  LYS 114           HE3      LYS 114  -5.476 -15.576   4.806
  724    HZ1  LYS 114           HZ3      LYS 114  -6.833 -17.253   5.812
  725    HZ2  LYS 114           HZ1      LYS 114  -5.385 -17.996   5.322
  726    HZ3  LYS 114           HZ2      LYS 114  -6.800 -18.205   4.413
  727    HA   PRO 115           HA       PRO 115  -9.959 -21.338   2.205
  728    HB2  PRO 115           HB2      PRO 115  -6.972 -21.363   2.121
  729    HB3  PRO 115           HB3      PRO 115  -8.117 -22.622   1.632
  730    HG2  PRO 115           HG2      PRO 115  -6.858 -21.175  -0.198
  731    HG3  PRO 115           HG3      PRO 115  -8.568 -21.591  -0.414
  732    HD2  PRO 115           HD2      PRO 115  -7.349 -18.987   0.426
  733    HD3  PRO 115           HD3      PRO 115  -8.762 -19.288  -0.602
  734    HA   PRO 116           HA       PRO 116  -9.381 -19.450   6.197
  735    HB2  PRO 116           HB2      PRO 116 -10.428 -21.968   7.288
  736    HB3  PRO 116           HB3      PRO 116 -11.089 -20.335   7.386
  737    HG2  PRO 116           HG2      PRO 116 -12.233 -22.221   5.844
  738    HG3  PRO 116           HG3      PRO 116 -12.184 -20.515   5.365
  739    HD2  PRO 116           HD2      PRO 116 -10.445 -22.783   4.443
  740    HD3  PRO 116           HD3      PRO 116 -11.197 -21.484   3.490
  741    H    GLU 117           HN       GLU 117  -8.351 -19.882   8.294
  742    HA   GLU 117           HA       GLU 117  -5.829 -21.182   8.023
  743    HB2  GLU 117           HB2      GLU 117  -6.141 -19.223   9.468
  744    HB3  GLU 117           HB3      GLU 117  -7.258 -20.134  10.473
  745    HG2  GLU 117           HG2      GLU 117  -5.378 -21.694  11.010
  746    HG3  GLU 117           HG3      GLU 117  -4.301 -20.600  10.141
  747    H    THR 118           HN       THR 118  -8.851 -21.904   9.663
  748    HA   THR 118           HA       THR 118  -7.896 -24.009  11.270
  749    HB   THR 118           HB       THR 118 -10.483 -24.453  11.407
  750    HG1  THR 118           HG1      THR 118 -11.647 -22.545  10.825
  751   HG21  THR 118          HG23      THR 118 -10.666 -22.680  13.075
  752   HG22  THR 118          HG21      THR 118  -9.253 -21.871  12.394
  753   HG23  THR 118          HG22      THR 118  -9.078 -23.443  13.179
  754    H    LEU 119           HN       LEU 119  -8.799 -26.186  11.273
  755    HA   LEU 119           HA       LEU 119  -7.812 -27.500   8.986
  756    HG   LEU 119           HG       LEU 119  -8.329 -30.277   9.401
  757    HB2  LEU 119           HB2      LEU 119  -7.841 -28.168  11.499
  758    HB3  LEU 119           HB3      LEU 119  -9.412 -28.850  11.142
  759   HD11  LEU 119          HD11      LEU 119  -6.368 -28.820   9.023
  760   HD12  LEU 119          HD12      LEU 119  -5.769 -29.236  10.625
  761   HD13  LEU 119          HD13      LEU 119  -5.904 -30.482   9.384
  762   HD21  LEU 119          HD23      LEU 119  -7.202 -31.779  11.017
  763   HD22  LEU 119          HD21      LEU 119  -7.322 -30.501  12.230
  764   HD23  LEU 119          HD22      LEU 119  -8.789 -31.223  11.563
  765    H    ILE 120           HN       ILE 120  -9.032 -27.202   7.168
  766    HA   ILE 120           HA       ILE 120 -10.699 -27.562   5.645
  767    HB   ILE 120           HB       ILE 120 -11.508 -29.873   7.424
  768   HG12  ILE 120          HG12      ILE 120  -9.126 -30.060   7.005
  769   HG13  ILE 120          HG13      ILE 120  -9.977 -31.246   6.022
  770   HG21  ILE 120          HG21      ILE 120 -13.130 -29.462   5.711
  771   HG22  ILE 120          HG22      ILE 120 -11.881 -29.386   4.473
  772   HG23  ILE 120          HG23      ILE 120 -12.220 -30.910   5.292
  773   HD11  ILE 120          HD13      ILE 120  -8.929 -28.594   5.047
  774   HD12  ILE 120          HD11      ILE 120  -8.166 -30.162   4.799
  775   HD13  ILE 120          HD12      ILE 120  -9.733 -29.821   4.069
  776    H    THR 121           HN       THR 121 -11.683 -25.593   6.278
  777    HA   THR 121           HA       THR 121 -13.347 -24.205   6.891
  778    HB   THR 121           HB       THR 121 -15.613 -24.909   6.739
  779    HG1  THR 121           HG1      THR 121 -14.575 -27.442   7.442
  780   HG21  THR 121          HG23      THR 121 -13.929 -26.628   4.922
  781   HG22  THR 121          HG21      THR 121 -14.501 -24.995   4.583
  782   HG23  THR 121          HG22      THR 121 -15.650 -26.336   4.693
  783    H    THR 122           HN       THR 122 -15.559 -24.675   8.672
  784    HA   THR 122           HA       THR 122 -14.336 -25.549  11.166
  785    HB   THR 122           HB       THR 122 -15.520 -22.775  10.857
  786    HG1  THR 122           HG1      THR 122 -12.992 -23.754  10.403
  787   HG21  THR 122          HG23      THR 122 -15.763 -23.721  13.116
  788   HG22  THR 122          HG21      THR 122 -14.609 -22.383  13.107
  789   HG23  THR 122          HG22      THR 122 -14.030 -24.050  13.161
  790    H    ILE 123           HN       ILE 123 -16.910 -25.295   9.110
  791    HA   ILE 123           HA       ILE 123 -18.700 -26.765  10.720
  792    HB   ILE 123           HB       ILE 123 -18.922 -24.456  11.739
  793   HG12  ILE 123          HG12      ILE 123 -21.406 -25.542  10.390
  794   HG13  ILE 123          HG13      ILE 123 -20.713 -26.136  11.895
  795   HG21  ILE 123          HG21      ILE 123 -20.033 -23.777   9.018
  796   HG22  ILE 123          HG22      ILE 123 -20.248 -22.782  10.463
  797   HG23  ILE 123          HG23      ILE 123 -18.632 -23.068   9.820
  798   HD11  ILE 123          HD13      ILE 123 -21.162 -23.995  12.963
  799   HD12  ILE 123          HD11      ILE 123 -21.811 -23.374  11.445
  800   HD13  ILE 123          HD12      ILE 123 -22.633 -24.690  12.281
  801    H    ASP 124           HN       ASP 124 -17.415 -26.803   8.159
  802    HA   ASP 124           HA       ASP 124 -17.662 -26.968   5.941
  803    HB2  ASP 124           HB2      ASP 124 -20.361 -27.724   6.925
  804    HB3  ASP 124           HB3      ASP 124 -20.180 -27.409   5.197
  805    H    SER 125           HN       SER 125 -20.816 -25.396   6.502
  806    HA   SER 125           HA       SER 125 -19.989 -22.811   5.759
  807    HG   SER 125           HG       SER 125 -20.045 -22.070   2.867
  808    HB2  SER 125           HB2      SER 125 -19.703 -24.014   3.534
  809    HB3  SER 125           HB3      SER 125 -21.440 -24.294   3.537
  810    H    SER 126           HN       SER 126 -22.192 -21.662   4.752
  811    HA   SER 126           HA       SER 126 -24.110 -21.867   6.820
  812    HG   SER 126           HG       SER 126 -25.693 -19.640   6.435
  813    HB2  SER 126           HB2      SER 126 -23.692 -19.750   5.643
  814    HB3  SER 126           HB3      SER 126 -24.286 -20.458   4.141
  815    H    SER 127           HN       SER 127 -24.838 -22.126   3.373
  816    HA   SER 127           HA       SER 127 -25.871 -24.762   3.472
  817    HG   SER 127           HG       SER 127 -27.081 -23.968   5.426
  818    HB2  SER 127           HB2      SER 127 -27.855 -22.491   3.560
  819    HB3  SER 127           HB3      SER 127 -28.267 -24.071   2.894
  820    H    SER 128           HN       SER 128 -25.225 -21.790   1.903
  821    HA   SER 128           HA       SER 128 -24.735 -21.226  -0.218
  822    HG   SER 128           HG       SER 128 -24.722 -22.218  -2.582
  823    HB2  SER 128           HB2      SER 128 -23.764 -23.598  -0.322
  824    HB3  SER 128           HB3      SER 128 -25.282 -24.077  -1.070
  825    HHA  HEM 129           HHA      HEM 129  -6.277  17.202  -6.007
  826    HHB  HEM 129           HHB      HEM 129  -1.799  12.590  -5.493
  827    HHC  HEM 129           HHC      HEM 129  -5.114   9.986  -0.686
  828    HHD  HEM 129           HHD      HEM 129  -9.185  15.014  -0.677
  829    HAB  HEM 129           HAB      HEM 129  -2.244   9.130  -0.732
  830    HAC  HEM 129           HAC      HEM 129  -9.884  13.521   1.070
  831   HMA1  HEM 129          HMA1      HEM 129  -1.873  15.365  -8.247
  832   HMA2  HEM 129          HMA2      HEM 129  -0.975  15.037  -6.762
  833   HMA3  HEM 129          HMA3      HEM 129  -1.653  13.702  -7.707
  834   HAA1  HEM 129          HAA1      HEM 129  -3.957  17.546  -7.875
  835   HAA2  HEM 129          HAA2      HEM 129  -3.532  16.222  -8.426
  836   HBA1  HEM 129          HBA1      HEM 129  -4.541  15.470  -9.759
  837   HBA2  HEM 129          HBA2      HEM 129  -5.482  16.983  -9.766
  838   HMB1  HEM 129          HMB1      HEM 129  -0.040  10.917  -3.321
  839   HMB2  HEM 129          HMB2      HEM 129  -0.863   9.990  -4.741
  840   HMB3  HEM 129          HMB3      HEM 129  -0.927   9.719  -3.237
  841   HBB1  HEM 129          HBB1      HEM 129  -3.528   7.891  -3.212
  842   HBB2  HEM 129          HBB2      HEM 129  -2.793   7.006  -1.735
  843   HMC1  HEM 129          HMC1      HEM 129  -6.074  10.344   1.674
  844   HMC2  HEM 129          HMC2      HEM 129  -7.775  10.655   2.042
  845   HMC3  HEM 129          HMC3      HEM 129  -7.297   9.574   0.689
  846   HBC1  HEM 129          HBC1      HEM 129  -9.515  13.277   3.393
  847   HBC2  HEM 129          HBC2      HEM 129  -7.800  12.628   3.120
  848   HMD1  HEM 129          HMD1      HEM 129 -10.223  16.808  -1.151
  849   HMD2  HEM 129          HMD2      HEM 129 -10.452  18.061  -2.524
  850   HMD3  HEM 129          HMD3      HEM 129  -9.253  17.870  -1.626
  851   HAD1  HEM 129          HAD1      HEM 129  -9.312  18.041  -5.625
  852   HAD2  HEM 129          HAD2      HEM 129  -9.383  18.429  -4.170
  853   HBD1  HEM 129          HBD1      HEM 129  -8.210  20.232  -5.595
  854   HBD2  HEM 129          HBD2      HEM 129  -7.047  19.691  -4.371
  Start of MODEL   12
    1    HA   MET  21           HA       MET  21   8.496 -24.113 -11.051
    2    H1   MET  21           1H       MET  21   9.745 -22.705 -13.328
    3    HB2  MET  21           HB2      MET  21  11.351 -24.416 -12.031
    4    HB3  MET  21           HB3      MET  21  10.790 -24.956 -10.456
    5    HG2  MET  21           HG2      MET  21   9.779 -25.952 -13.118
    6    HG3  MET  21           HG3      MET  21  10.898 -26.796 -12.038
    7    HE1  MET  21           HE3      MET  21   8.243 -28.172 -13.121
    8    HE2  MET  21           HE1      MET  21   9.343 -28.977 -11.995
    9    HE3  MET  21           HE2      MET  21   7.615 -28.911 -11.648
   10    H    ALA  22           HN       ALA  22   8.145 -22.539  -9.612
   11    HA   ALA  22           HA       ALA  22   8.525 -20.908  -8.091
   12    HB1  ALA  22           HB3      ALA  22  10.759 -20.310  -7.410
   13    HB2  ALA  22           HB1      ALA  22  10.664 -22.053  -7.647
   14    HB3  ALA  22           HB2      ALA  22  11.435 -21.042  -8.866
   15    H    GLU  23           HN       GLU  23   7.771 -18.961  -8.435
   16    HA   GLU  23           HA       GLU  23   8.109 -17.657 -10.925
   17    HB2  GLU  23           HB2      GLU  23   6.131 -17.477  -9.261
   18    HB3  GLU  23           HB3      GLU  23   7.122 -16.276  -8.437
   19    HG2  GLU  23           HG2      GLU  23   7.143 -14.875 -10.406
   20    HG3  GLU  23           HG3      GLU  23   6.310 -16.124 -11.334
   21    H    GLN  24           HN       GLN  24   9.029 -15.563 -11.269
   22    HA   GLN  24           HA       GLN  24  11.756 -15.685 -10.727
   23    HB2  GLN  24           HB2      GLN  24  10.169 -13.323 -11.708
   24    HB3  GLN  24           HB3      GLN  24  11.910 -13.543 -11.882
   25    HG2  GLN  24           HG2      GLN  24   9.752 -15.237 -13.131
   26    HG3  GLN  24           HG3      GLN  24  10.758 -14.058 -13.952
   27   HE21  GLN  24          HE21      GLN  24  10.663 -17.202 -12.458
   28   HE22  GLN  24          HE22      GLN  24  12.141 -17.790 -13.140
   29    H    SER  25           HN       SER  25   9.373 -13.351  -9.443
   30    HA   SER  25           HA       SER  25  11.441 -12.208  -7.722
   31    HG   SER  25           HG       SER  25   9.446  -9.253  -7.451
   32    HB2  SER  25           HB2      SER  25   9.986 -10.736  -9.172
   33    HB3  SER  25           HB3      SER  25   8.607 -11.234  -8.194
   34    H    ASP  26           HN       ASP  26   9.914 -11.217  -5.691
   35    HA   ASP  26           HA       ASP  26   9.605 -13.459  -3.975
   36    HB2  ASP  26           HB2      ASP  26   9.309 -10.499  -3.689
   37    HB3  ASP  26           HB3      ASP  26   8.587 -11.541  -2.470
   38    H    GLU  27           HN       GLU  27   7.965 -14.171  -5.796
   39    HA   GLU  27           HA       GLU  27   5.915 -14.871  -6.324
   40    HB2  GLU  27           HB2      GLU  27   5.365 -14.253  -3.413
   41    HB3  GLU  27           HB3      GLU  27   4.285 -15.161  -4.456
   42    HG2  GLU  27           HG2      GLU  27   6.125 -16.815  -4.790
   43    HG3  GLU  27           HG3      GLU  27   7.054 -15.940  -3.573
   44    H    ALA  28           HN       ALA  28   4.499 -12.602  -4.024
   45    HA   ALA  28           HA       ALA  28   3.516 -11.043  -6.318
   46    HB1  ALA  28           HB3      ALA  28   1.826 -12.689  -5.728
   47    HB2  ALA  28           HB1      ALA  28   1.799 -12.087  -4.072
   48    HB3  ALA  28           HB2      ALA  28   1.268 -11.052  -5.399
   49    H    VAL  29           HN       VAL  29   1.850  -9.339  -5.118
   50    HA   VAL  29           HA       VAL  29   3.428  -7.240  -4.188
   51    HB   VAL  29           HB       VAL  29   0.481  -7.701  -3.666
   52   HG11  VAL  29          HG11      VAL  29   2.053  -5.116  -3.697
   53   HG12  VAL  29          HG12      VAL  29   0.305  -5.254  -3.503
   54   HG13  VAL  29          HG13      VAL  29   1.385  -5.900  -2.264
   55   HG21  VAL  29          HG23      VAL  29   0.073  -6.450  -5.667
   56   HG22  VAL  29          HG21      VAL  29   1.806  -6.248  -5.928
   57   HG23  VAL  29          HG22      VAL  29   1.077  -7.851  -6.035
   58    H    LYS  30           HN       LYS  30   3.808  -6.361  -2.121
   59    HA   LYS  30           HA       LYS  30   3.607  -8.334   0.017
   60    HB2  LYS  30           HB2      LYS  30   5.178  -5.760  -0.203
   61    HB3  LYS  30           HB3      LYS  30   5.107  -6.739   1.258
   62    HG2  LYS  30           HG2      LYS  30   6.132  -7.621  -1.418
   63    HG3  LYS  30           HG3      LYS  30   7.100  -7.291   0.018
   64    HD2  LYS  30           HD2      LYS  30   6.145  -9.151   1.182
   65    HD3  LYS  30           HD3      LYS  30   4.938  -9.383  -0.090
   66    HE2  LYS  30           HE2      LYS  30   7.915  -9.737  -0.381
   67    HE3  LYS  30           HE3      LYS  30   6.719 -11.037  -0.227
   68    HZ1  LYS  30           HZ3      LYS  30   7.175 -10.812  -2.512
   69    HZ2  LYS  30           HZ1      LYS  30   7.056  -9.129  -2.458
   70    HZ3  LYS  30           HZ2      LYS  30   5.673 -10.073  -2.288
   71    H    TYR  31           HN       TYR  31   2.867  -7.703   2.134
   72    HA   TYR  31           HA       TYR  31   0.680  -5.733   1.890
   73    HD1  TYR  31           HD2      TYR  31  -0.805  -6.476   0.395
   74    HD2  TYR  31           HD1      TYR  31   0.128 -10.277   2.033
   75    HE1  TYR  31           HE2      TYR  31  -1.457  -7.546  -1.730
   76    HE2  TYR  31           HE1      TYR  31  -0.518 -11.363  -0.083
   77    HH   TYR  31           HH       TYR  31  -1.003  -9.610  -2.953
   78    HB2  TYR  31           HB2      TYR  31   0.531  -8.405   3.299
   79    HB3  TYR  31           HB3      TYR  31  -0.770  -7.235   3.121
   80    H    TYR  32           HN       TYR  32  -0.070  -4.838   3.870
   81    HA   TYR  32           HA       TYR  32   1.726  -5.187   6.184
   82    HD1  TYR  32           HD2      TYR  32   1.647  -2.829   3.105
   83    HD2  TYR  32           HD1      TYR  32   3.668  -2.757   6.854
   84    HE1  TYR  32           HE2      TYR  32   3.758  -2.204   1.967
   85    HE2  TYR  32           HE1      TYR  32   5.765  -2.152   5.741
   86    HH   TYR  32           HH       TYR  32   6.804  -2.218   3.641
   87    HB2  TYR  32           HB2      TYR  32   0.400  -2.623   5.236
   88    HB3  TYR  32           HB3      TYR  32   1.267  -2.815   6.762
   89    H    THR  33           HN       THR  33   0.665  -4.887   8.300
   90    HA   THR  33           HA       THR  33  -1.903  -6.194   8.201
   91    HB   THR  33           HB       THR  33  -1.782  -6.110  10.700
   92    HG1  THR  33           HG1      THR  33   0.771  -4.903  10.192
   93   HG21  THR  33          HG23      THR  33   0.648  -7.194   9.254
   94   HG22  THR  33          HG21      THR  33  -0.893  -8.021   9.480
   95   HG23  THR  33          HG22      THR  33   0.128  -7.672  10.867
   96    H    LEU  34           HN       LEU  34  -3.838  -5.433   9.341
   97    HA   LEU  34           HA       LEU  34  -4.560  -2.779   8.731
   98    HG   LEU  34           HG       LEU  34  -6.625  -2.431  11.073
   99    HB2  LEU  34           HB2      LEU  34  -6.136  -4.652   9.093
  100    HB3  LEU  34           HB3      LEU  34  -5.686  -4.689  10.784
  101   HD11  LEU  34          HD11      LEU  34  -7.921  -1.396   9.332
  102   HD12  LEU  34          HD12      LEU  34  -6.261  -1.637   8.791
  103   HD13  LEU  34          HD13      LEU  34  -7.539  -2.709   8.221
  104   HD21  LEU  34          HD23      LEU  34  -8.019  -4.390  11.502
  105   HD22  LEU  34          HD21      LEU  34  -8.983  -3.068  10.863
  106   HD23  LEU  34          HD22      LEU  34  -8.529  -4.413   9.818
  107    H    GLU  35           HN       GLU  35  -3.244  -4.395  11.423
  108    HA   GLU  35           HA       GLU  35  -3.714  -2.713  13.584
  109    HB2  GLU  35           HB2      GLU  35  -2.965  -5.057  13.758
  110    HB3  GLU  35           HB3      GLU  35  -1.389  -4.603  13.120
  111    HG2  GLU  35           HG2      GLU  35  -1.486  -2.910  15.168
  112    HG3  GLU  35           HG3      GLU  35  -2.562  -4.145  15.798
  113    H    GLU  36           HN       GLU  36  -0.898  -2.935  11.459
  114    HA   GLU  36           HA       GLU  36   0.641  -1.113  13.017
  115    HB2  GLU  36           HB2      GLU  36   2.415  -1.555  11.449
  116    HB3  GLU  36           HB3      GLU  36   1.591  -3.062  11.810
  117    HG2  GLU  36           HG2      GLU  36   0.342  -2.830   9.671
  118    HG3  GLU  36           HG3      GLU  36   1.331  -1.420   9.308
  119    H    ILE  37           HN       ILE  37  -1.379  -0.883  10.243
  120    HA   ILE  37           HA       ILE  37  -0.453   1.678   9.333
  121    HB   ILE  37           HB       ILE  37  -3.039   0.182   8.805
  122   HG12  ILE  37          HG12      ILE  37  -0.568   0.476   7.082
  123   HG13  ILE  37          HG13      ILE  37  -0.974  -0.954   8.024
  124   HG21  ILE  37          HG21      ILE  37  -3.454   2.491   8.379
  125   HG22  ILE  37          HG22      ILE  37  -1.938   2.653   7.486
  126   HG23  ILE  37          HG23      ILE  37  -3.253   1.673   6.831
  127   HD11  ILE  37          HD13      ILE  37  -2.986  -1.275   6.704
  128   HD12  ILE  37          HD11      ILE  37  -2.611   0.181   5.780
  129   HD13  ILE  37          HD12      ILE  37  -1.550  -1.227   5.672
  130    H    GLN  38           HN       GLN  38  -2.816   0.501  11.598
  131    HA   GLN  38           HA       GLN  38  -4.129   2.983  12.082
  132    HB2  GLN  38           HB2      GLN  38  -4.060   0.276  13.293
  133    HB3  GLN  38           HB3      GLN  38  -4.685   1.595  14.275
  134    HG2  GLN  38           HG2      GLN  38  -5.684   0.972  11.499
  135    HG3  GLN  38           HG3      GLN  38  -6.376   0.280  12.967
  136   HE21  GLN  38          HE21      GLN  38  -5.761   3.304  11.252
  137   HE22  GLN  38          HE22      GLN  38  -7.035   4.193  12.007
  138    H    LYS  39           HN       LYS  39  -1.358   1.367  13.401
  139    HA   LYS  39           HA       LYS  39  -1.074   2.974  15.743
  140    HB2  LYS  39           HB2      LYS  39   0.874   1.178  14.291
  141    HB3  LYS  39           HB3      LYS  39   1.153   1.874  15.876
  142    HG2  LYS  39           HG2      LYS  39  -0.677   0.626  16.803
  143    HG3  LYS  39           HG3      LYS  39  -1.075  -0.014  15.211
  144    HD2  LYS  39           HD2      LYS  39   0.704  -1.422  15.154
  145    HD3  LYS  39           HD3      LYS  39   1.685  -0.385  16.200
  146    HE2  LYS  39           HE2      LYS  39   0.307  -1.021  18.091
  147    HE3  LYS  39           HE3      LYS  39  -0.671  -2.062  17.055
  148    HZ1  LYS  39           HZ3      LYS  39   2.235  -2.401  17.495
  149    HZ2  LYS  39           HZ1      LYS  39   1.201  -3.455  16.657
  150    HZ3  LYS  39           HZ2      LYS  39   1.040  -3.250  18.336
  151    H    HIS  40           HN       HIS  40  -0.290   3.299  12.448
  152    HA   HIS  40           HA       HIS  40   1.855   5.188  12.959
  153    HD1  HIS  40           HD1      HIS  40   2.621   1.999   9.798
  154    HD2  HIS  40           HD2      HIS  40   3.943   4.423  12.884
  155    HE1  HIS  40           HE1      HIS  40   4.781   0.963  10.569
  156    HE2  HIS  40           HE2      HIS  40   5.684   2.581  12.294
  157    HB2  HIS  40           HB2      HIS  40   0.932   3.749  10.491
  158    HB3  HIS  40           HB3      HIS  40   1.959   5.175  10.347
  159    H    ASN  41           HN       ASN  41  -1.396   5.043  12.237
  160    HA   ASN  41           HA       ASN  41  -1.526   7.764  11.188
  161    HB2  ASN  41           HB2      ASN  41  -3.410   5.489  11.329
  162    HB3  ASN  41           HB3      ASN  41  -4.074   7.114  11.241
  163   HD21  ASN  41          HD21      ASN  41  -2.636   4.566   9.506
  164   HD22  ASN  41          HD22      ASN  41  -2.558   5.385   7.976
  165    H    HIS  42           HN       HIS  42  -0.765   8.726  13.162
  166    HA   HIS  42           HA       HIS  42  -2.706   8.826  15.297
  167    HD1  HIS  42           HD1      HIS  42   0.845   7.935  13.865
  168    HD2  HIS  42           HD2      HIS  42   1.096   6.654  17.793
  169    HE1  HIS  42           HE1      HIS  42   3.277   7.492  14.262
  170    HE2  HIS  42           HE2      HIS  42   3.369   6.496  16.569
  171    HB2  HIS  42           HB2      HIS  42  -1.272   7.858  16.997
  172    HB3  HIS  42           HB3      HIS  42  -1.525   6.703  15.706
  173    H    SER  43           HN       SER  43   0.222   9.972  13.811
  174    HA   SER  43           HA       SER  43   0.256  12.530  14.707
  175    HG   SER  43           HG       SER  43   1.228  10.141  17.662
  176    HB2  SER  43           HB2      SER  43   2.098  12.328  16.519
  177    HB3  SER  43           HB3      SER  43   0.445  11.980  17.003
  178    H    LYS  44           HN       LYS  44   2.793  10.150  15.156
  179    HA   LYS  44           HA       LYS  44   4.834  11.597  13.868
  180    HB2  LYS  44           HB2      LYS  44   4.609   8.724  14.734
  181    HB3  LYS  44           HB3      LYS  44   6.087   9.413  14.088
  182    HG2  LYS  44           HG2      LYS  44   4.688  10.598  16.466
  183    HG3  LYS  44           HG3      LYS  44   5.853   9.283  16.616
  184    HD2  LYS  44           HD2      LYS  44   6.425  11.944  15.304
  185    HD3  LYS  44           HD3      LYS  44   6.851  11.528  16.967
  186    HE2  LYS  44           HE2      LYS  44   8.151   9.590  16.027
  187    HE3  LYS  44           HE3      LYS  44   7.883  10.278  14.427
  188    HZ1  LYS  44           HZ3      LYS  44   9.043  12.285  15.145
  189    HZ2  LYS  44           HZ1      LYS  44  10.032  10.918  15.330
  190    HZ3  LYS  44           HZ2      LYS  44   9.285  11.616  16.680
  191    H    SER  45           HN       SER  45   2.354   9.900  12.391
  192    HA   SER  45           HA       SER  45   3.624  10.129   9.874
  193    HG   SER  45           HG       SER  45   4.414   7.699   8.503
  194    HB2  SER  45           HB2      SER  45   4.580   7.982  10.575
  195    HB3  SER  45           HB3      SER  45   2.962   7.335  10.810
  196    H    THR  46           HN       THR  46   2.097   8.970   8.147
  197    HA   THR  46           HA       THR  46  -0.698   9.123   8.851
  198    HB   THR  46           HB       THR  46   0.449  11.118   6.887
  199    HG1  THR  46           HG1      THR  46  -0.030  11.248   9.555
  200   HG21  THR  46          HG23      THR  46  -2.400  10.594   7.757
  201   HG22  THR  46          HG21      THR  46  -1.713  10.331   6.153
  202   HG23  THR  46          HG22      THR  46  -1.871  11.974   6.780
  203    H    TRP  47           HN       TRP  47  -1.428   7.339   7.863
  204    HA   TRP  47           HA       TRP  47  -0.552   6.749   5.106
  205    HD1  TRP  47           HD1      TRP  47   1.570   6.928   6.039
  206    HE1  TRP  47           HE1      TRP  47   3.920   5.963   6.332
  207    HE3  TRP  47           HE3      TRP  47   0.315   2.113   7.169
  208    HZ2  TRP  47           HZ2      TRP  47   5.095   3.496   6.969
  209    HZ3  TRP  47           HZ3      TRP  47   2.109   0.501   7.614
  210    HH2  TRP  47           HH2      TRP  47   4.458   1.189   7.519
  211    HB2  TRP  47           HB2      TRP  47  -0.983   4.784   7.368
  212    HB3  TRP  47           HB3      TRP  47  -0.918   4.301   5.676
  213    H    LEU  48           HN       LEU  48  -2.157   5.830   3.700
  214    HA   LEU  48           HA       LEU  48  -4.824   5.703   4.897
  215    HG   LEU  48           HG       LEU  48  -3.992   6.189   1.329
  216    HB2  LEU  48           HB2      LEU  48  -5.877   6.798   3.045
  217    HB3  LEU  48           HB3      LEU  48  -4.667   7.866   3.724
  218   HD11  LEU  48          HD11      LEU  48  -4.743   8.075  -0.072
  219   HD12  LEU  48          HD12      LEU  48  -6.071   7.240   0.732
  220   HD13  LEU  48          HD13      LEU  48  -5.504   8.793   1.344
  221   HD21  LEU  48          HD23      LEU  48  -2.169   7.376   2.380
  222   HD22  LEU  48          HD21      LEU  48  -2.555   8.126   0.831
  223   HD23  LEU  48          HD22      LEU  48  -3.073   8.890   2.332
  224    H    ILE  49           HN       ILE  49  -6.396   4.789   3.026
  225    HA   ILE  49           HA       ILE  49  -4.972   2.580   1.718
  226    HB   ILE  49           HB       ILE  49  -7.492   2.306   3.373
  227   HG12  ILE  49          HG12      ILE  49  -4.768   1.001   3.636
  228   HG13  ILE  49          HG13      ILE  49  -5.309   2.377   4.597
  229   HG21  ILE  49          HG21      ILE  49  -7.466  -0.051   2.732
  230   HG22  ILE  49          HG22      ILE  49  -7.660   1.001   1.328
  231   HG23  ILE  49          HG23      ILE  49  -6.097   0.252   1.660
  232   HD11  ILE  49          HD13      ILE  49  -6.984   1.072   5.644
  233   HD12  ILE  49          HD11      ILE  49  -6.706  -0.275   4.546
  234   HD13  ILE  49          HD12      ILE  49  -5.469   0.175   5.725
  235    H    LEU  50           HN       LEU  50  -5.301   2.734  -0.384
  236    HA   LEU  50           HA       LEU  50  -8.021   3.387  -1.345
  237    HG   LEU  50           HG       LEU  50  -5.781   5.702  -1.307
  238    HB2  LEU  50           HB2      LEU  50  -5.359   3.783  -2.726
  239    HB3  LEU  50           HB3      LEU  50  -6.914   3.970  -3.506
  240   HD11  LEU  50          HD11      LEU  50  -5.896   7.445  -3.028
  241   HD12  LEU  50          HD12      LEU  50  -4.864   6.104  -3.529
  242   HD13  LEU  50          HD13      LEU  50  -6.493   6.255  -4.187
  243   HD21  LEU  50          HD23      LEU  50  -8.437   5.975  -2.673
  244   HD22  LEU  50          HD21      LEU  50  -8.212   5.349  -1.042
  245   HD23  LEU  50          HD22      LEU  50  -7.774   7.015  -1.421
  246    H    HIS  51           HN       HIS  51  -8.972   1.436  -1.757
  247    HA   HIS  51           HA       HIS  51  -9.338  -0.607  -2.754
  248    HD1  HIS  51           HD1      HIS  51  -9.838  -1.352  -6.215
  249    HD2  HIS  51           HD2      HIS  51  -9.749   2.470  -4.622
  250    HE1  HIS  51           HE1      HIS  51 -11.846  -0.202  -7.163
  251    HE2  HIS  51           HE2      HIS  51 -11.957   1.974  -5.910
  252    HB2  HIS  51           HB2      HIS  51  -7.401   0.733  -4.607
  253    HB3  HIS  51           HB3      HIS  51  -7.824  -0.952  -4.893
  254    H    HIS  52           HN       HIS  52  -8.041  -1.188  -0.588
  255    HA   HIS  52           HA       HIS  52  -6.733  -2.761   0.452
  256    HD1  HIS  52           HD1      HIS  52  -6.620  -6.056  -2.850
  257    HD2  HIS  52           HD2      HIS  52  -8.851  -3.937  -0.060
  258    HE1  HIS  52           HE1      HIS  52  -8.786  -7.309  -2.644
  259    HE2  HIS  52           HE2      HIS  52 -10.193  -5.924  -1.065
  260    HB2  HIS  52           HB2      HIS  52  -5.897  -3.483  -2.362
  261    HB3  HIS  52           HB3      HIS  52  -5.340  -4.325  -0.925
  262    H    LYS  53           HN       LYS  53  -5.211  -0.847  -2.106
  263    HA   LYS  53           HA       LYS  53  -2.572  -1.285  -1.291
  264    HB2  LYS  53           HB2      LYS  53  -3.287   1.295  -2.589
  265    HB3  LYS  53           HB3      LYS  53  -1.923   0.235  -2.874
  266    HG2  LYS  53           HG2      LYS  53  -4.759  -0.188  -3.798
  267    HG3  LYS  53           HG3      LYS  53  -3.372   0.267  -4.768
  268    HD2  LYS  53           HD2      LYS  53  -2.316  -1.866  -4.388
  269    HD3  LYS  53           HD3      LYS  53  -3.610  -2.326  -3.271
  270    HE2  LYS  53           HE2      LYS  53  -5.223  -2.100  -5.154
  271    HE3  LYS  53           HE3      LYS  53  -3.855  -1.812  -6.222
  272    HZ1  LYS  53           HZ3      LYS  53  -4.686  -4.144  -6.207
  273    HZ2  LYS  53           HZ1      LYS  53  -4.163  -4.284  -4.600
  274    HZ3  LYS  53           HZ2      LYS  53  -3.044  -3.993  -5.837
  275    H    VAL  54           HN       VAL  54  -1.480  -0.512   0.410
  276    HA   VAL  54           HA       VAL  54  -2.577   1.716   1.950
  277    HB   VAL  54           HB       VAL  54  -1.828  -0.207   3.242
  278   HG11  VAL  54          HG11      VAL  54  -0.165  -1.135   1.752
  279   HG12  VAL  54          HG12      VAL  54   0.891   0.263   2.028
  280   HG13  VAL  54          HG13      VAL  54   0.532  -0.854   3.344
  281   HG21  VAL  54          HG23      VAL  54  -0.021   2.188   3.554
  282   HG22  VAL  54          HG21      VAL  54  -1.590   1.929   4.315
  283   HG23  VAL  54          HG22      VAL  54  -0.217   0.915   4.764
  284    H    TYR  55           HN       TYR  55  -1.734   3.709   1.939
  285    HA   TYR  55           HA       TYR  55   0.672   4.155   0.308
  286    HD1  TYR  55           HD2      TYR  55  -2.821   3.892  -0.331
  287    HD2  TYR  55           HD1      TYR  55  -0.070   6.525  -2.246
  288    HE1  TYR  55           HE2      TYR  55  -3.666   3.156  -2.521
  289    HE2  TYR  55           HE1      TYR  55  -0.917   5.793  -4.448
  290    HH   TYR  55           HH       TYR  55  -3.775   3.906  -4.786
  291    HB2  TYR  55           HB2      TYR  55  -1.702   5.937   0.842
  292    HB3  TYR  55           HB3      TYR  55  -0.224   6.523   0.094
  293    H    ASP  56           HN       ASP  56   2.008   6.001   0.968
  294    HA   ASP  56           HA       ASP  56   1.680   6.825   3.763
  295    HB2  ASP  56           HB2      ASP  56   3.725   5.509   3.610
  296    HB3  ASP  56           HB3      ASP  56   4.247   6.427   2.207
  297    H    LEU  57           HN       LEU  57   1.370   9.049   3.965
  298    HA   LEU  57           HA       LEU  57   2.107  10.640   1.618
  299    HG   LEU  57           HG       LEU  57  -0.871   9.921   2.632
  300    HB2  LEU  57           HB2      LEU  57   0.431  11.545   3.930
  301    HB3  LEU  57           HB3      LEU  57   0.768  12.449   2.474
  302   HD11  LEU  57          HD11      LEU  57  -1.994  11.889   3.538
  303   HD12  LEU  57          HD12      LEU  57  -1.652  12.765   2.050
  304   HD13  LEU  57          HD13      LEU  57  -2.721  11.370   2.020
  305   HD21  LEU  57          HD23      LEU  57  -0.125  11.641   0.273
  306   HD22  LEU  57          HD21      LEU  57   0.308   9.954   0.537
  307   HD23  LEU  57          HD22      LEU  57  -1.366  10.398   0.256
  308    H    THR  58           HN       THR  58   2.012  11.237   5.090
  309    HA   THR  58           HA       THR  58   3.255  12.505   6.456
  310    HB   THR  58           HB       THR  58   5.662  11.878   6.571
  311    HG1  THR  58           HG1      THR  58   5.112   9.928   4.577
  312   HG21  THR  58          HG23      THR  58   3.904  10.642   7.778
  313   HG22  THR  58          HG21      THR  58   5.233   9.588   7.290
  314   HG23  THR  58          HG22      THR  58   3.721   9.576   6.389
  315    H    LYS  59           HN       LYS  59   5.806  12.458   4.125
  316    HA   LYS  59           HA       LYS  59   6.379  15.181   4.084
  317    HB2  LYS  59           HB2      LYS  59   7.601  14.616   1.988
  318    HB3  LYS  59           HB3      LYS  59   7.930  13.519   3.326
  319    HG2  LYS  59           HG2      LYS  59   6.078  12.056   2.272
  320    HG3  LYS  59           HG3      LYS  59   6.337  13.023   0.830
  321    HD2  LYS  59           HD2      LYS  59   7.667  11.051   0.673
  322    HD3  LYS  59           HD3      LYS  59   8.732  12.443   0.902
  323    HE2  LYS  59           HE2      LYS  59   9.511  10.621   2.282
  324    HE3  LYS  59           HE3      LYS  59   8.868  11.895   3.315
  325    HZ1  LYS  59           HZ3      LYS  59   7.409   9.424   2.538
  326    HZ2  LYS  59           HZ1      LYS  59   6.823  10.644   3.558
  327    HZ3  LYS  59           HZ2      LYS  59   8.141   9.710   4.039
  328    H    PHE  60           HN       PHE  60   3.989  13.340   2.331
  329    HA   PHE  60           HA       PHE  60   3.822  14.994   0.049
  330    HD1  PHE  60           HD1      PHE  60   3.680  13.701  -2.129
  331    HD2  PHE  60           HD2      PHE  60  -0.109  13.351  -0.273
  332    HE1  PHE  60           HE1      PHE  60   2.584  14.053  -4.296
  333    HE2  PHE  60           HE2      PHE  60  -1.224  13.714  -2.430
  334    HZ   PHE  60           HZ       PHE  60   0.124  14.061  -4.457
  335    HB2  PHE  60           HB2      PHE  60   3.265  12.532   0.134
  336    HB3  PHE  60           HB3      PHE  60   1.778  12.975   0.973
  337    H    LEU  61           HN       LEU  61   2.551  15.416   3.107
  338    HA   LEU  61           HA       LEU  61  -0.118  16.129   2.760
  339    HG   LEU  61           HG       LEU  61   1.759  14.686   4.920
  340    HB2  LEU  61           HB2      LEU  61   1.838  17.119   4.823
  341    HB3  LEU  61           HB3      LEU  61   0.096  17.210   4.965
  342   HD11  LEU  61          HD11      LEU  61   0.908  14.403   7.225
  343   HD12  LEU  61          HD12      LEU  61   1.908  15.848   7.044
  344   HD13  LEU  61          HD13      LEU  61   0.150  15.999   7.107
  345   HD21  LEU  61          HD23      LEU  61  -0.326  14.282   3.794
  346   HD22  LEU  61          HD21      LEU  61  -0.356  13.527   5.389
  347   HD23  LEU  61          HD22      LEU  61  -1.215  15.041   5.113
  348    H    GLU  62           HN       GLU  62   2.769  17.983   2.306
  349    HA   GLU  62           HA       GLU  62   1.273  20.500   2.170
  350    HB2  GLU  62           HB2      GLU  62   3.517  21.553   2.297
  351    HB3  GLU  62           HB3      GLU  62   3.170  20.520   3.669
  352    HG2  GLU  62           HG2      GLU  62   5.282  19.875   3.298
  353    HG3  GLU  62           HG3      GLU  62   4.498  18.761   2.181
  354    H    GLU  63           HN       GLU  63   2.357  18.104   0.197
  355    HA   GLU  63           HA       GLU  63   3.026  19.764  -2.113
  356    HB2  GLU  63           HB2      GLU  63   3.091  16.811  -1.532
  357    HB3  GLU  63           HB3      GLU  63   3.289  17.430  -3.166
  358    HG2  GLU  63           HG2      GLU  63   4.976  18.470  -0.942
  359    HG3  GLU  63           HG3      GLU  63   5.362  16.922  -1.694
  360    H    HIS  64           HN       HIS  64   0.429  18.103  -0.679
  361    HA   HIS  64           HA       HIS  64  -0.990  17.373  -2.989
  362    HD1  HIS  64           HD1      HIS  64  -4.460  17.436  -0.150
  363    HD2  HIS  64           HD2      HIS  64  -2.657  14.919  -2.990
  364    HE1  HIS  64           HE1      HIS  64  -6.318  15.975  -1.132
  365    HB2  HIS  64           HB3      HIS  64  -1.135  16.258  -0.766
  366    HB3  HIS  64           HB2      HIS  64  -1.976  17.639  -0.134
  367    HA   PRO  65           HA       PRO  65  -2.325  21.421  -4.069
  368    HB2  PRO  65           HB2      PRO  65  -4.396  20.784  -5.729
  369    HB3  PRO  65           HB3      PRO  65  -2.700  20.636  -6.170
  370    HG2  PRO  65           HG2      PRO  65  -4.606  18.539  -5.263
  371    HG3  PRO  65           HG3      PRO  65  -3.363  18.453  -6.520
  372    HD2  PRO  65           HD2      PRO  65  -2.986  17.392  -4.078
  373    HD3  PRO  65           HD3      PRO  65  -1.663  18.098  -5.016
  374    H    GLY  66           HN       GLY  66  -4.418  19.441  -2.214
  375    HA2  GLY  66           HA1      GLY  66  -5.806  21.719  -1.196
  376    HA3  GLY  66           HA2      GLY  66  -6.821  20.854  -2.326
  377    H    GLY  67           HN       GLY  67  -5.856  21.112   0.894
  378    HA2  GLY  67           HA1      GLY  67  -7.574  20.158   2.340
  379    HA3  GLY  67           HA2      GLY  67  -7.414  18.667   1.439
  380    H    GLU  68           HN       GLU  68  -5.072  20.875   3.020
  381    HA   GLU  68           HA       GLU  68  -3.280  18.960   3.909
  382    HB2  GLU  68           HB2      GLU  68  -2.905  21.409   4.000
  383    HB3  GLU  68           HB3      GLU  68  -4.072  21.529   5.315
  384    HG2  GLU  68           HG2      GLU  68  -2.571  19.933   6.595
  385    HG3  GLU  68           HG3      GLU  68  -1.364  20.212   5.342
  386    H    GLU  69           HN       GLU  69  -5.871  20.500   5.746
  387    HA   GLU  69           HA       GLU  69  -5.642  18.822   8.011
  388    HB2  GLU  69           HB2      GLU  69  -7.812  19.930   8.686
  389    HB3  GLU  69           HB3      GLU  69  -6.506  21.039   8.309
  390    HG2  GLU  69           HG2      GLU  69  -7.473  21.352   6.069
  391    HG3  GLU  69           HG3      GLU  69  -8.813  20.317   6.537
  392    H    VAL  70           HN       VAL  70  -7.492  18.693   5.107
  393    HA   VAL  70           HA       VAL  70  -9.687  17.174   6.033
  394    HB   VAL  70           HB       VAL  70  -8.692  17.548   3.190
  395   HG11  VAL  70          HG11      VAL  70 -11.046  17.126   2.579
  396   HG12  VAL  70          HG12      VAL  70 -10.264  15.727   3.317
  397   HG13  VAL  70          HG13      VAL  70 -11.381  16.716   4.258
  398   HG21  VAL  70          HG23      VAL  70 -10.316  19.374   3.082
  399   HG22  VAL  70          HG21      VAL  70 -10.664  19.164   4.798
  400   HG23  VAL  70          HG22      VAL  70  -9.059  19.679   4.279
  401    H    LEU  71           HN       LEU  71  -6.543  16.371   4.805
  402    HA   LEU  71           HA       LEU  71  -6.962  13.731   4.025
  403    HG   LEU  71           HG       LEU  71  -5.060  16.145   3.255
  404    HB2  LEU  71           HB2      LEU  71  -4.506  14.937   5.295
  405    HB3  LEU  71           HB3      LEU  71  -4.571  13.419   4.423
  406   HD11  LEU  71          HD11      LEU  71  -2.745  15.801   3.714
  407   HD12  LEU  71          HD12      LEU  71  -2.789  14.205   2.964
  408   HD13  LEU  71          HD13      LEU  71  -3.014  15.649   1.980
  409   HD21  LEU  71          HD23      LEU  71  -5.255  15.090   1.125
  410   HD22  LEU  71          HD21      LEU  71  -4.989  13.499   1.822
  411   HD23  LEU  71          HD22      LEU  71  -6.461  14.399   2.203
  412    H    ARG  72           HN       ARG  72  -6.495  15.213   7.128
  413    HA   ARG  72           HA       ARG  72  -5.481  13.039   8.578
  414    HE   ARG  72           HE       ARG  72  -3.005  17.433   9.171
  415    HB2  ARG  72           HB2      ARG  72  -6.918  15.517   9.553
  416    HB3  ARG  72           HB3      ARG  72  -6.026  14.405  10.583
  417    HG2  ARG  72           HG2      ARG  72  -3.977  14.903   9.356
  418    HG3  ARG  72           HG3      ARG  72  -4.877  16.016   8.322
  419    HD2  ARG  72           HD2      ARG  72  -5.461  17.346  10.299
  420    HD3  ARG  72           HD3      ARG  72  -4.527  16.241  11.304
  421   HH11  ARG  72          HH12      ARG  72  -4.187  17.774  12.448
  422   HH12  ARG  72          HH11      ARG  72  -2.977  18.942  12.905
  423   HH21  ARG  72          HH22      ARG  72  -1.404  18.999   9.759
  424   HH22  ARG  72          HH21      ARG  72  -1.409  19.637  11.369
  425    H    GLU  73           HN       GLU  73  -8.721  13.984   7.841
  426    HA   GLU  73           HA       GLU  73 -10.045  12.627   9.959
  427    HB2  GLU  73           HB2      GLU  73 -10.927  14.571   8.585
  428    HB3  GLU  73           HB3      GLU  73 -11.177  13.422   7.283
  429    HG2  GLU  73           HG2      GLU  73 -13.268  13.698   8.335
  430    HG3  GLU  73           HG3      GLU  73 -12.654  12.121   8.833
  431    H    GLN  74           HN       GLN  74  -8.887  11.794   6.823
  432    HA   GLN  74           HA       GLN  74 -10.339   9.239   6.796
  433    HB2  GLN  74           HB2      GLN  74  -8.779  10.603   4.578
  434    HB3  GLN  74           HB3      GLN  74  -9.827   9.205   4.409
  435    HG2  GLN  74           HG2      GLN  74 -10.741  11.933   5.235
  436    HG3  GLN  74           HG3      GLN  74 -10.838  11.293   3.601
  437   HE21  GLN  74          HE21      GLN  74 -12.361   9.761   3.116
  438   HE22  GLN  74          HE22      GLN  74 -13.694   9.395   4.150
  439    H    ALA  75           HN       ALA  75  -7.608  10.467   7.926
  440    HA   ALA  75           HA       ALA  75  -5.667   8.639   6.869
  441    HB1  ALA  75           HB3      ALA  75  -5.483  10.438   9.291
  442    HB2  ALA  75           HB1      ALA  75  -4.140   9.629   8.489
  443    HB3  ALA  75           HB2      ALA  75  -5.032  10.900   7.651
  444    H    GLY  76           HN       GLY  76  -5.384   6.635   7.497
  445    HA2  GLY  76           HA1      GLY  76  -5.290   5.207   9.662
  446    HA3  GLY  76           HA2      GLY  76  -6.988   5.679   9.768
  447    H    GLY  77           HN       GLY  77  -7.263   5.737   6.883
  448    HA2  GLY  77           HA1      GLY  77  -6.616   3.865   5.214
  449    HA3  GLY  77           HA2      GLY  77  -7.417   2.846   6.405
  450    H    ASP  78           HN       ASP  78  -8.699   2.370   4.392
  451    HA   ASP  78           HA       ASP  78 -10.804   2.272   3.585
  452    HB2  ASP  78           HB2      ASP  78 -11.255   4.184   5.857
  453    HB3  ASP  78           HB3      ASP  78 -12.570   3.693   4.797
  454    H    ALA  79           HN       ALA  79  -8.932   4.839   3.000
  455    HA   ALA  79           HA       ALA  79 -10.822   6.939   2.677
  456    HB1  ALA  79           HB3      ALA  79  -8.509   7.302   3.452
  457    HB2  ALA  79           HB1      ALA  79  -7.930   6.885   1.843
  458    HB3  ALA  79           HB2      ALA  79  -8.934   8.318   2.071
  459    H    THR  80           HN       THR  80 -10.891   4.499   0.813
  460    HA   THR  80           HA       THR  80 -10.287   5.529  -1.781
  461    HB   THR  80           HB       THR  80 -10.193   3.103  -1.242
  462    HG1  THR  80           HG1      THR  80 -12.112   3.241  -3.257
  463   HG21  THR  80          HG23      THR  80 -13.214   3.291  -1.296
  464   HG22  THR  80          HG21      THR  80 -12.221   2.972   0.130
  465   HG23  THR  80          HG22      THR  80 -12.250   1.814  -1.192
  466    H    GLU  81           HN       GLU  81 -12.807   6.056   0.326
  467    HA   GLU  81           HA       GLU  81 -15.147   6.149  -1.113
  468    HB2  GLU  81           HB2      GLU  81 -15.042   6.593   1.274
  469    HB3  GLU  81           HB3      GLU  81 -14.107   8.060   1.000
  470    HG2  GLU  81           HG2      GLU  81 -16.004   9.057  -0.145
  471    HG3  GLU  81           HG3      GLU  81 -16.937   7.592   0.147
  472    H    ASN  82           HN       ASN  82 -12.815   8.789  -0.764
  473    HA   ASN  82           HA       ASN  82 -14.234  10.599  -2.440
  474    HB2  ASN  82           HB2      ASN  82 -12.689  11.269  -0.589
  475    HB3  ASN  82           HB3      ASN  82 -11.333  10.674  -1.548
  476   HD21  ASN  82          HD21      ASN  82 -10.589  11.857  -3.265
  477   HD22  ASN  82          HD22      ASN  82 -11.063  13.495  -3.543
  478    H    PHE  83           HN       PHE  83 -12.132   8.043  -3.053
  479    HA   PHE  83           HA       PHE  83 -10.854   9.084  -5.423
  480    HD1  PHE  83           HD1      PHE  83  -8.293   8.322  -5.942
  481    HD2  PHE  83           HD2      PHE  83 -10.551   4.726  -5.672
  482    HE1  PHE  83           HE1      PHE  83  -6.981   7.370  -7.788
  483    HE2  PHE  83           HE2      PHE  83  -9.255   3.761  -7.517
  484    HZ   PHE  83           HZ       PHE  83  -7.406   4.984  -8.497
  485    HB2  PHE  83           HB2      PHE  83  -9.612   7.653  -3.883
  486    HB3  PHE  83           HB3      PHE  83 -10.808   6.385  -4.054
  487    H    GLU  84           HN       GLU  84 -13.552   7.131  -4.550
  488    HA   GLU  84           HA       GLU  84 -13.878   6.182  -7.307
  489    HB2  GLU  84           HB2      GLU  84 -14.957   5.155  -4.682
  490    HB3  GLU  84           HB3      GLU  84 -15.425   4.506  -6.246
  491    HG2  GLU  84           HG2      GLU  84 -13.087   3.925  -6.700
  492    HG3  GLU  84           HG3      GLU  84 -12.635   4.543  -5.117
  493    H    ASP  85           HN       ASP  85 -15.041   8.426  -5.120
  494    HA   ASP  85           HA       ASP  85 -17.677   8.652  -6.389
  495    HB2  ASP  85           HB2      ASP  85 -17.447   8.919  -3.897
  496    HB3  ASP  85           HB3      ASP  85 -16.473  10.358  -4.180
  497    H    VAL  86           HN       VAL  86 -16.670  11.685  -5.453
  498    HA   VAL  86           HA       VAL  86 -15.322  12.186  -8.029
  499    HB   VAL  86           HB       VAL  86 -17.319  14.059  -6.737
  500   HG11  VAL  86          HG11      VAL  86 -15.443  15.189  -7.876
  501   HG12  VAL  86          HG12      VAL  86 -15.809  14.292  -9.352
  502   HG13  VAL  86          HG13      VAL  86 -16.977  15.451  -8.706
  503   HG21  VAL  86          HG23      VAL  86 -18.693  13.613  -8.727
  504   HG22  VAL  86          HG21      VAL  86 -17.505  12.413  -9.260
  505   HG23  VAL  86          HG22      VAL  86 -18.414  12.152  -7.768
  506    H    GLY  87           HN       GLY  87 -13.313  12.486  -7.478
  507    HA2  GLY  87           HA1      GLY  87 -12.618  14.738  -5.857
  508    HA3  GLY  87           HA2      GLY  87 -12.265  13.201  -5.080
  509    H    HIS  88           HN       HIS  88 -11.496  11.685  -7.270
  510    HA   HIS  88           HA       HIS  88  -9.029  13.091  -8.017
  511    HD1  HIS  88           HD1      HIS  88  -8.048   9.366  -5.459
  512    HD2  HIS  88           HD2      HIS  88  -7.594  13.390  -6.411
  513    HE1  HIS  88           HE1      HIS  88  -6.689  10.402  -3.575
  514    HB2  HIS  88           HB2      HIS  88  -9.555  10.190  -7.416
  515    HB3  HIS  88           HB3      HIS  88  -8.165  10.692  -8.371
  516    H    SER  89           HN       SER  89  -8.092  12.568 -10.077
  517    HA   SER  89           HA       SER  89  -9.891  11.256 -11.981
  518    HG   SER  89           HG       SER  89  -8.155  14.799 -12.292
  519    HB2  SER  89           HB2      SER  89  -8.936  12.752 -13.745
  520    HB3  SER  89           HB3      SER  89  -9.882  13.603 -12.534
  521    H    THR  90           HN       THR  90  -7.959  11.179 -14.123
  522    HA   THR  90           HA       THR  90  -6.537   8.857 -13.302
  523    HB   THR  90           HB       THR  90  -5.452   9.186 -15.628
  524    HG1  THR  90           HG1      THR  90  -7.461  10.633 -16.628
  525   HG21  THR  90          HG23      THR  90  -8.449   8.841 -15.427
  526   HG22  THR  90          HG21      THR  90  -7.263   7.569 -15.116
  527   HG23  THR  90          HG22      THR  90  -7.416   8.266 -16.733
  528    H    ASP  91           HN       ASP  91  -5.733  12.239 -13.471
  529    HA   ASP  91           HA       ASP  91  -2.990  12.246 -13.693
  530    HB2  ASP  91           HB2      ASP  91  -4.714  14.202 -13.446
  531    HB3  ASP  91           HB3      ASP  91  -4.351  14.055 -11.731
  532    H    ALA  92           HN       ALA  92  -4.852  12.264 -10.701
  533    HA   ALA  92           HA       ALA  92  -2.627  11.932  -8.970
  534    HB1  ALA  92           HB3      ALA  92  -4.756  12.939  -8.246
  535    HB2  ALA  92           HB1      ALA  92  -5.529  11.354  -8.384
  536    HB3  ALA  92           HB2      ALA  92  -4.244  11.609  -7.200
  537    H    ARG  93           HN       ARG  93  -4.508   9.721 -10.782
  538    HA   ARG  93           HA       ARG  93  -4.099   7.384  -9.261
  539    HE   ARG  93           HE       ARG  93  -3.820   5.133 -14.179
  540    HB2  ARG  93           HB2      ARG  93  -5.821   7.254 -10.829
  541    HB3  ARG  93           HB3      ARG  93  -4.879   8.037 -12.085
  542    HG2  ARG  93           HG2      ARG  93  -3.510   5.989 -12.256
  543    HG3  ARG  93           HG3      ARG  93  -4.598   5.218 -11.096
  544    HD2  ARG  93           HD2      ARG  93  -6.190   4.898 -12.627
  545    HD3  ARG  93           HD3      ARG  93  -6.019   6.528 -13.274
  546   HH11  ARG  93          HH12      ARG  93  -7.301   4.733 -14.427
  547   HH12  ARG  93          HH11      ARG  93  -7.241   4.125 -16.052
  548   HH21  ARG  93          HH22      ARG  93  -3.753   4.311 -16.334
  549   HH22  ARG  93          HH21      ARG  93  -5.234   3.879 -17.128
  550    H    GLU  94           HN       GLU  94  -2.106   9.195 -11.369
  551    HA   GLU  94           HA       GLU  94  -0.347   6.939 -11.996
  552    HB2  GLU  94           HB2      GLU  94  -1.411   8.428 -13.811
  553    HB3  GLU  94           HB3      GLU  94  -0.304   9.682 -13.259
  554    HG2  GLU  94           HG2      GLU  94   0.648   8.602 -15.165
  555    HG3  GLU  94           HG3      GLU  94   1.588   8.169 -13.742
  556    H    MET  95           HN       MET  95  -0.636  10.030 -10.535
  557    HA   MET  95           HA       MET  95   2.112  10.523  -9.957
  558    HB2  MET  95           HB2      MET  95   0.510  12.334 -10.090
  559    HB3  MET  95           HB3      MET  95  -0.464  11.619  -8.808
  560    HG2  MET  95           HG2      MET  95   0.770  13.460  -7.901
  561    HG3  MET  95           HG3      MET  95   1.435  11.963  -7.249
  562    HE1  MET  95           HE3      MET  95   2.839  14.851  -7.166
  563    HE2  MET  95           HE1      MET  95   3.526  13.406  -6.427
  564    HE3  MET  95           HE2      MET  95   4.505  14.392  -7.512
  565    H    SER  96           HN       SER  96  -0.454   8.729  -8.469
  566    HA   SER  96           HA       SER  96   0.746   8.813  -5.854
  567    HG   SER  96           HG       SER  96  -2.555   7.787  -7.504
  568    HB2  SER  96           HB2      SER  96  -1.246   7.594  -5.133
  569    HB3  SER  96           HB3      SER  96  -1.651   9.022  -6.083
  570    H    LYS  97           HN       LYS  97   1.213   6.913  -8.479
  571    HA   LYS  97           HA       LYS  97   0.863   4.308  -7.559
  572    HB2  LYS  97           HB2      LYS  97   2.048   3.603  -9.520
  573    HB3  LYS  97           HB3      LYS  97   1.043   4.983  -9.946
  574    HG2  LYS  97           HG2      LYS  97   3.112   6.400  -9.694
  575    HG3  LYS  97           HG3      LYS  97   4.028   4.899  -9.575
  576    HD2  LYS  97           HD2      LYS  97   2.390   5.884 -11.910
  577    HD3  LYS  97           HD3      LYS  97   4.125   5.570 -11.854
  578    HE2  LYS  97           HE2      LYS  97   3.728   3.201 -11.634
  579    HE3  LYS  97           HE3      LYS  97   1.989   3.470 -11.516
  580    HZ1  LYS  97           HZ3      LYS  97   2.400   2.833 -13.724
  581    HZ2  LYS  97           HZ1      LYS  97   3.735   3.869 -13.875
  582    HZ3  LYS  97           HZ2      LYS  97   2.168   4.515 -13.784
  583    H    THR  98           HN       THR  98   3.579   6.469  -7.251
  584    HA   THR  98           HA       THR  98   5.370   4.351  -6.414
  585    HB   THR  98           HB       THR  98   6.078   7.274  -6.293
  586    HG1  THR  98           HG1      THR  98   6.422   7.275  -8.510
  587   HG21  THR  98          HG23      THR  98   7.628   4.807  -7.088
  588   HG22  THR  98          HG21      THR  98   7.742   5.632  -5.536
  589   HG23  THR  98          HG22      THR  98   8.273   6.442  -7.007
  590    H    PHE  99           HN       PHE  99   2.998   5.994  -4.934
  591    HA   PHE  99           HA       PHE  99   4.341   6.197  -2.334
  592    HD1  PHE  99           HD1      PHE  99   4.415   8.488  -1.252
  593    HD2  PHE  99           HD2      PHE  99   1.981   8.909  -4.690
  594    HE1  PHE  99           HE1      PHE  99   5.457  10.658  -1.713
  595    HE2  PHE  99           HE2      PHE  99   3.005  11.092  -5.176
  596    HZ   PHE  99           HZ       PHE  99   4.842  11.923  -3.733
  597    HB2  PHE  99           HB2      PHE  99   1.617   7.124  -3.285
  598    HB3  PHE  99           HB3      PHE  99   2.158   7.235  -1.614
  599    H    ILE 100           HN       ILE 100   2.665   4.035  -4.193
  600    HA   ILE 100           HA       ILE 100   1.078   2.756  -2.164
  601    HB   ILE 100           HB       ILE 100   2.029   1.676  -4.828
  602   HG12  ILE 100          HG12      ILE 100  -0.553   3.037  -4.044
  603   HG13  ILE 100          HG13      ILE 100   0.700   3.702  -5.095
  604   HG21  ILE 100          HG21      ILE 100  -0.131   0.743  -2.941
  605   HG22  ILE 100          HG22      ILE 100   0.122   0.087  -4.558
  606   HG23  ILE 100          HG23      ILE 100   1.362  -0.112  -3.310
  607   HD11  ILE 100          HD13      ILE 100  -1.222   2.950  -6.351
  608   HD12  ILE 100          HD11      ILE 100   0.185   1.980  -6.760
  609   HD13  ILE 100          HD12      ILE 100  -1.066   1.319  -5.701
  610    H    ILE 101           HN       ILE 101   2.358   2.068  -0.433
  611    HA   ILE 101           HA       ILE 101   4.929   0.844  -0.995
  612    HB   ILE 101           HB       ILE 101   5.208   0.746   1.457
  613   HG12  ILE 101          HG12      ILE 101   2.429   1.964   1.524
  614   HG13  ILE 101          HG13      ILE 101   2.850   0.350   2.088
  615   HG21  ILE 101          HG21      ILE 101   4.286   3.378   0.344
  616   HG22  ILE 101          HG22      ILE 101   5.209   3.202   1.835
  617   HG23  ILE 101          HG23      ILE 101   5.920   2.725   0.290
  618   HD11  ILE 101          HD13      ILE 101   4.306   1.407   3.808
  619   HD12  ILE 101          HD11      ILE 101   3.697   2.975   3.289
  620   HD13  ILE 101          HD12      ILE 101   2.593   1.789   3.978
  621    H    GLY 102           HN       GLY 102   1.751  -0.238  -0.452
  622    HA2  GLY 102           HA1      GLY 102   2.362  -2.884  -1.131
  623    HA3  GLY 102           HA2      GLY 102   2.275  -2.798   0.621
  624    H    GLU 103           HN       GLU 103   0.491  -4.386   0.002
  625    HA   GLU 103           HA       GLU 103  -1.980  -2.759  -0.008
  626    HB2  GLU 103           HB2      GLU 103  -1.654  -5.702  -0.639
  627    HB3  GLU 103           HB3      GLU 103  -3.209  -4.909  -0.419
  628    HG2  GLU 103           HG2      GLU 103  -2.625  -3.406  -2.313
  629    HG3  GLU 103           HG3      GLU 103  -1.173  -4.367  -2.564
  630    H    LEU 104           HN       LEU 104  -3.641  -4.614   1.303
  631    HA   LEU 104           HA       LEU 104  -2.448  -4.584   3.972
  632    HG   LEU 104           HG       LEU 104  -3.804  -2.661   3.985
  633    HB2  LEU 104           HB2      LEU 104  -5.260  -4.840   2.985
  634    HB3  LEU 104           HB3      LEU 104  -4.840  -5.263   4.635
  635   HD11  LEU 104          HD11      LEU 104  -5.932  -1.500   3.711
  636   HD12  LEU 104          HD12      LEU 104  -5.637  -2.608   2.370
  637   HD13  LEU 104          HD13      LEU 104  -6.773  -3.052   3.643
  638   HD21  LEU 104          HD23      LEU 104  -5.886  -3.621   5.937
  639   HD22  LEU 104          HD21      LEU 104  -4.149  -3.555   6.232
  640   HD23  LEU 104          HD22      LEU 104  -5.059  -2.067   5.995
  641    H    HIS 105           HN       HIS 105  -2.569  -6.407   5.345
  642    HA   HIS 105           HA       HIS 105  -1.957  -8.912   4.227
  643    HD1  HIS 105           HD1      HIS 105  -0.673 -10.588   7.699
  644    HD2  HIS 105           HD2      HIS 105   0.198  -7.133   5.550
  645    HE1  HIS 105           HE1      HIS 105   1.830 -10.319   7.790
  646    HE2  HIS 105           HE2      HIS 105   2.258  -8.070   6.766
  647    HB2  HIS 105           HB2      HIS 105  -2.585  -7.844   6.930
  648    HB3  HIS 105           HB3      HIS 105  -2.719  -9.581   6.720
  649    HA   PRO 106           HA       PRO 106  -5.826 -11.396   3.962
  650    HB2  PRO 106           HB2      PRO 106  -5.159 -12.193   6.782
  651    HB3  PRO 106           HB3      PRO 106  -5.802 -13.185   5.476
  652    HG2  PRO 106           HG2      PRO 106  -3.209 -13.229   6.101
  653    HG3  PRO 106           HG3      PRO 106  -3.752 -13.344   4.416
  654    HD2  PRO 106           HD2      PRO 106  -2.396 -11.128   5.803
  655    HD3  PRO 106           HD3      PRO 106  -2.494 -11.481   4.071
  656    H    ASP 107           HN       ASP 107  -5.107  -9.395   6.649
  657    HA   ASP 107           HA       ASP 107  -7.362  -9.089   8.142
  658    HB2  ASP 107           HB2      ASP 107  -5.628  -6.823   7.147
  659    HB3  ASP 107           HB3      ASP 107  -6.573  -6.842   8.630
  660    H    ASP 108           HN       ASP 108  -6.779  -7.980   4.844
  661    HA   ASP 108           HA       ASP 108  -9.485  -6.832   4.792
  662    HB2  ASP 108           HB2      ASP 108  -7.970  -4.974   5.273
  663    HB3  ASP 108           HB3      ASP 108  -6.966  -5.427   3.891
  664    H    ARG 109           HN       ARG 109  -6.726  -8.067   3.166
  665    HA   ARG 109           HA       ARG 109  -7.315  -7.604   0.494
  666    HE   ARG 109           HE       ARG 109  -3.447 -10.220  -2.128
  667    HB2  ARG 109           HB2      ARG 109  -5.093  -8.361   1.375
  668    HB3  ARG 109           HB3      ARG 109  -5.760  -9.979   1.573
  669    HG2  ARG 109           HG2      ARG 109  -6.375  -9.469  -1.012
  670    HG3  ARG 109           HG3      ARG 109  -4.841  -8.615  -0.847
  671    HD2  ARG 109           HD2      ARG 109  -3.955 -10.749   0.226
  672    HD3  ARG 109           HD3      ARG 109  -5.426 -11.522  -0.368
  673   HH11  ARG 109          HH12      ARG 109  -5.643 -12.886  -1.444
  674   HH12  ARG 109          HH11      ARG 109  -5.376 -13.648  -2.987
  675   HH21  ARG 109          HH22      ARG 109  -3.104 -11.263  -4.090
  676   HH22  ARG 109          HH21      ARG 109  -3.946 -12.724  -4.478
  677    HA   PRO 110           HA       PRO 110  -9.516 -11.710   0.024
  678    HB2  PRO 110           HB2      PRO 110  -9.827 -13.162   2.483
  679    HB3  PRO 110           HB3      PRO 110  -8.901 -13.605   1.052
  680    HG2  PRO 110           HG2      PRO 110  -7.779 -12.998   3.471
  681    HG3  PRO 110           HG3      PRO 110  -6.946 -12.835   1.916
  682    HD2  PRO 110           HD2      PRO 110  -8.254 -10.714   3.572
  683    HD3  PRO 110           HD3      PRO 110  -6.741 -10.652   2.632
  684    H    LYS 111           HN       LYS 111 -10.226 -10.175   3.136
  685    HA   LYS 111           HA       LYS 111 -12.152  -9.318   4.010
  686    HB2  LYS 111           HB2      LYS 111 -13.201  -9.801   1.203
  687    HB3  LYS 111           HB3      LYS 111 -14.135  -9.001   2.468
  688    HG2  LYS 111           HG2      LYS 111 -11.419  -7.990   1.716
  689    HG3  LYS 111           HG3      LYS 111 -12.850  -7.578   0.754
  690    HD2  LYS 111           HD2      LYS 111 -13.930  -6.638   2.728
  691    HD3  LYS 111           HD3      LYS 111 -12.546  -7.123   3.716
  692    HE2  LYS 111           HE2      LYS 111 -11.102  -5.690   2.282
  693    HE3  LYS 111           HE3      LYS 111 -12.564  -5.101   1.478
  694    HZ1  LYS 111           HZ3      LYS 111 -11.515  -3.816   3.480
  695    HZ2  LYS 111           HZ1      LYS 111 -12.395  -4.931   4.401
  696    HZ3  LYS 111           HZ2      LYS 111 -13.209  -3.924   3.309
  697    H    LEU 112           HN       LEU 112 -13.623 -11.625   1.787
  698    HA   LEU 112           HA       LEU 112 -15.374 -12.738   3.770
  699    HG   LEU 112           HG       LEU 112 -15.874 -15.310   2.300
  700    HB2  LEU 112           HB2      LEU 112 -16.102 -12.444   1.482
  701    HB3  LEU 112           HB3      LEU 112 -14.763 -13.413   0.892
  702   HD11  LEU 112          HD11      LEU 112 -18.303 -15.111   2.460
  703   HD12  LEU 112          HD12      LEU 112 -17.505 -13.864   3.421
  704   HD13  LEU 112          HD13      LEU 112 -18.218 -13.454   1.862
  705   HD21  LEU 112          HD23      LEU 112 -17.074 -14.277  -0.276
  706   HD22  LEU 112          HD21      LEU 112 -15.634 -15.289  -0.129
  707   HD23  LEU 112          HD22      LEU 112 -17.211 -15.929   0.339
  708    H    ASN 113           HN       ASN 113 -12.288 -13.468   2.498
  709    HA   ASN 113           HA       ASN 113 -12.407 -16.283   3.359
  710    HB2  ASN 113           HB2      ASN 113 -11.993 -15.658   0.919
  711    HB3  ASN 113           HB3      ASN 113 -10.447 -15.001   1.437
  712   HD21  ASN 113          HD21      ASN 113 -11.963 -17.906   2.715
  713   HD22  ASN 113          HD22      ASN 113 -10.775 -19.004   2.106
  714    H    LYS 114           HN       LYS 114 -11.961 -14.346   5.321
  715    HA   LYS 114           HA       LYS 114  -9.099 -14.704   5.902
  716    HB2  LYS 114           HB2      LYS 114  -8.777 -12.474   6.551
  717    HB3  LYS 114           HB3      LYS 114  -9.731 -12.337   5.077
  718    HG2  LYS 114           HG2      LYS 114 -11.758 -12.031   6.412
  719    HG3  LYS 114           HG3      LYS 114 -10.805 -12.184   7.888
  720    HD2  LYS 114           HD2      LYS 114  -9.463 -10.222   7.079
  721    HD3  LYS 114           HD3      LYS 114 -10.679 -10.011   5.815
  722    HE2  LYS 114           HE2      LYS 114 -11.084  -9.854   8.806
  723    HE3  LYS 114           HE3      LYS 114 -11.233  -8.549   7.629
  724    HZ1  LYS 114           HZ3      LYS 114 -13.065  -9.919   6.606
  725    HZ2  LYS 114           HZ1      LYS 114 -13.409  -9.233   8.116
  726    HZ3  LYS 114           HZ2      LYS 114 -13.012 -10.879   7.998
  727    HA   PRO 115           HA       PRO 115 -10.335 -15.967  10.034
  728    HB2  PRO 115           HB2      PRO 115  -8.026 -14.409  10.979
  729    HB3  PRO 115           HB3      PRO 115  -8.389 -16.130  11.164
  730    HG2  PRO 115           HG2      PRO 115  -6.482 -15.132   9.477
  731    HG3  PRO 115           HG3      PRO 115  -7.283 -16.694   9.263
  732    HD2  PRO 115           HD2      PRO 115  -7.603 -14.192   7.766
  733    HD3  PRO 115           HD3      PRO 115  -7.985 -15.850   7.274
  734    HA   PRO 116           HA       PRO 116 -12.138 -12.137  11.488
  735    HB2  PRO 116           HB2      PRO 116 -13.632 -13.271  13.469
  736    HB3  PRO 116           HB3      PRO 116 -14.088 -13.293  11.766
  737    HG2  PRO 116           HG2      PRO 116 -13.199 -15.498  13.457
  738    HG3  PRO 116           HG3      PRO 116 -13.925 -15.556  11.845
  739    HD2  PRO 116           HD2      PRO 116 -11.140 -15.813  12.628
  740    HD3  PRO 116           HD3      PRO 116 -11.877 -16.089  11.037
  741    H    GLU 117           HN       GLU 117  -9.516 -13.044  12.490
  742    HA   GLU 117           HA       GLU 117  -8.094 -13.032  14.243
  743    HB2  GLU 117           HB2      GLU 117  -7.916 -10.850  15.350
  744    HB3  GLU 117           HB3      GLU 117  -8.112 -10.712  13.619
  745    HG2  GLU 117           HG2      GLU 117  -9.592  -9.124  14.126
  746    HG3  GLU 117           HG3      GLU 117 -10.678 -10.477  14.456
  747    H    THR 118           HN       THR 118  -8.824 -11.479  16.826
  748    HA   THR 118           HA       THR 118 -10.321 -13.708  18.047
  749    HB   THR 118           HB       THR 118  -8.922 -13.258  20.110
  750    HG1  THR 118           HG1      THR 118  -7.403 -11.844  18.160
  751   HG21  THR 118          HG23      THR 118  -8.596 -15.253  18.769
  752   HG22  THR 118          HG21      THR 118  -7.044 -14.635  19.328
  753   HG23  THR 118          HG22      THR 118  -7.547 -14.363  17.661
  754    H    LEU 119           HN       LEU 119  -9.037 -10.835  19.590
  755    HA   LEU 119           HA       LEU 119 -11.654  -9.537  19.667
  756    HG   LEU 119           HG       LEU 119 -11.982 -11.971  21.252
  757    HB2  LEU 119           HB2      LEU 119 -10.161 -10.480  22.099
  758    HB3  LEU 119           HB3      LEU 119 -11.321  -9.172  22.173
  759   HD11  LEU 119          HD11      LEU 119 -12.439 -10.660  23.925
  760   HD12  LEU 119          HD12      LEU 119 -13.028 -12.250  23.440
  761   HD13  LEU 119          HD13      LEU 119 -11.293 -11.956  23.600
  762   HD21  LEU 119          HD23      LEU 119 -13.743  -9.655  22.035
  763   HD22  LEU 119          HD21      LEU 119 -13.477 -10.227  20.385
  764   HD23  LEU 119          HD22      LEU 119 -14.285 -11.263  21.565
  765    H    ILE 120           HN       ILE 120  -8.815  -9.231  18.714
  766    HA   ILE 120           HA       ILE 120  -6.979  -7.928  18.710
  767    HB   ILE 120           HB       ILE 120  -8.976  -6.307  18.070
  768   HG12  ILE 120          HG12      ILE 120  -6.202  -5.284  18.719
  769   HG13  ILE 120          HG13      ILE 120  -6.618  -6.242  17.303
  770   HG21  ILE 120          HG21      ILE 120  -9.555  -5.617  20.322
  771   HG22  ILE 120          HG22      ILE 120  -7.909  -5.048  20.590
  772   HG23  ILE 120          HG23      ILE 120  -8.938  -4.239  19.409
  773   HD11  ILE 120          HD13      ILE 120  -8.057  -4.462  16.502
  774   HD12  ILE 120          HD11      ILE 120  -7.702  -3.507  17.941
  775   HD13  ILE 120          HD12      ILE 120  -6.419  -3.866  16.779
  776    H    THR 121           HN       THR 121  -5.521  -6.445  19.997
  777    HA   THR 121           HA       THR 121  -6.050  -6.424  22.843
  778    HB   THR 121           HB       THR 121  -5.063  -8.660  22.503
  779    HG1  THR 121           HG1      THR 121  -3.915  -8.459  24.283
  780   HG21  THR 121          HG23      THR 121  -2.690  -7.160  21.419
  781   HG22  THR 121          HG21      THR 121  -3.760  -8.242  20.522
  782   HG23  THR 121          HG22      THR 121  -2.718  -8.887  21.801
  783    H    THR 122           HN       THR 122  -4.545  -5.028  23.993
  784    HA   THR 122           HA       THR 122  -2.967  -3.328  22.182
  785    HB   THR 122           HB       THR 122  -4.771  -2.147  24.315
  786    HG1  THR 122           HG1      THR 122  -5.309  -2.990  21.744
  787   HG21  THR 122          HG23      THR 122  -2.862  -0.775  23.737
  788   HG22  THR 122          HG21      THR 122  -4.324  -0.053  23.079
  789   HG23  THR 122          HG22      THR 122  -3.209  -0.924  22.019
  790    H    ILE 123           HN       ILE 123  -1.156  -4.357  23.049
  791    HA   ILE 123           HA       ILE 123   0.783  -4.147  24.211
  792    HB   ILE 123           HB       ILE 123  -0.668  -2.117  25.903
  793   HG12  ILE 123          HG12      ILE 123   1.240  -1.690  23.606
  794   HG13  ILE 123          HG13      ILE 123  -0.510  -1.543  23.472
  795   HG21  ILE 123          HG21      ILE 123   1.586  -1.345  26.542
  796   HG22  ILE 123          HG22      ILE 123   1.254  -2.997  27.071
  797   HG23  ILE 123          HG23      ILE 123   2.270  -2.713  25.659
  798   HD11  ILE 123          HD13      ILE 123  -0.491   0.329  25.026
  799   HD12  ILE 123          HD11      ILE 123   1.243   0.134  25.265
  800   HD13  ILE 123          HD12      ILE 123   0.626   0.634  23.691
  801    H    ASP 124           HN       ASP 124  -1.672  -3.776  26.813
  802    HA   ASP 124           HA       ASP 124  -0.547  -6.211  28.029
  803    HB2  ASP 124           HB2      ASP 124  -1.061  -3.544  29.322
  804    HB3  ASP 124           HB3      ASP 124  -1.166  -5.019  30.282
  805    H    SER 125           HN       SER 125  -2.073  -6.755  30.056
  806    HA   SER 125           HA       SER 125  -4.329  -7.950  29.160
  807    HG   SER 125           HG       SER 125  -2.568  -8.129  32.456
  808    HB2  SER 125           HB2      SER 125  -4.179  -6.822  31.947
  809    HB3  SER 125           HB3      SER 125  -4.869  -8.355  31.423
  810    H    SER 126           HN       SER 126  -4.519  -5.116  31.276
  811    HA   SER 126           HA       SER 126  -6.541  -3.919  29.506
  812    HG   SER 126           HG       SER 126  -8.693  -5.463  31.178
  813    HB2  SER 126           HB2      SER 126  -6.879  -3.998  32.525
  814    HB3  SER 126           HB3      SER 126  -8.041  -3.494  31.305
  815    H    SER 127           HN       SER 127  -3.744  -3.494  29.906
  816    HA   SER 127           HA       SER 127  -2.137  -1.992  30.407
  817    HG   SER 127           HG       SER 127  -4.192  -1.001  28.745
  818    HB2  SER 127           HB2      SER 127  -4.486  -0.125  30.921
  819    HB3  SER 127           HB3      SER 127  -2.798   0.373  30.798
  820    H    SER 128           HN       SER 128  -1.525  -0.398  32.401
  821    HA   SER 128           HA       SER 128  -2.801  -1.255  34.869
  822    HG   SER 128           HG       SER 128  -2.032  -3.270  33.994
  823    HB2  SER 128           HB2      SER 128   0.139  -1.719  34.331
  824    HB3  SER 128           HB3      SER 128  -0.670  -1.951  35.882
  825    HHA  HEM 129           HHA      HEM 129  -6.648  16.845  -6.545
  826    HHB  HEM 129           HHB      HEM 129  -1.821  12.697  -5.608
  827    HHC  HEM 129           HHC      HEM 129  -4.903  10.341  -0.484
  828    HHD  HEM 129           HHD      HEM 129  -9.539  14.769  -1.165
  829    HAB  HEM 129           HAB      HEM 129  -1.982   9.235  -0.939
  830    HAC  HEM 129           HAC      HEM 129 -10.238  13.142   0.437
  831   HMA1  HEM 129          HMA1      HEM 129  -1.975  15.397  -8.407
  832   HMA2  HEM 129          HMA2      HEM 129  -1.118  14.971  -6.931
  833   HMA3  HEM 129          HMA3      HEM 129  -1.768  13.706  -7.984
  834   HAA1  HEM 129          HAA1      HEM 129  -4.434  17.328  -8.313
  835   HAA2  HEM 129          HAA2      HEM 129  -3.672  16.106  -8.721
  836   HBA1  HEM 129          HBA1      HEM 129  -4.365  14.948 -10.004
  837   HBA2  HEM 129          HBA2      HEM 129  -5.374  16.361 -10.380
  838   HMB1  HEM 129          HMB1      HEM 129  -0.035  11.138  -3.406
  839   HMB2  HEM 129          HMB2      HEM 129  -0.805  10.089  -4.767
  840   HMB3  HEM 129          HMB3      HEM 129  -0.861   9.907  -3.252
  841   HBB1  HEM 129          HBB1      HEM 129  -4.111   8.104  -2.785
  842   HBB2  HEM 129          HBB2      HEM 129  -2.965   7.193  -1.620
  843   HMC1  HEM 129          HMC1      HEM 129  -6.242  11.503   2.210
  844   HMC2  HEM 129          HMC2      HEM 129  -7.741  10.641   1.805
  845   HMC3  HEM 129          HMC3      HEM 129  -6.153  10.151   1.103
  846   HBC1  HEM 129          HBC1      HEM 129 -10.195  13.075   2.801
  847   HBC2  HEM 129          HBC2      HEM 129  -8.377  12.729   2.824
  848   HMD1  HEM 129          HMD1      HEM 129 -10.710  16.503  -1.815
  849   HMD2  HEM 129          HMD2      HEM 129 -11.022  17.540  -3.350
  850   HMD3  HEM 129          HMD3      HEM 129  -9.833  17.592  -2.410
  851   HAD1  HEM 129          HAD1      HEM 129 -10.140  17.423  -6.033
  852   HAD2  HEM 129          HAD2      HEM 129  -9.609  18.151  -4.822
  853   HBD1  HEM 129          HBD1      HEM 129  -8.892  19.285  -6.992
  854   HBD2  HEM 129          HBD2      HEM 129  -7.394  18.762  -6.193
  Start of MODEL   13
    1    HA   MET  21           HA       MET  21  15.924 -19.864 -10.298
    2    H1   MET  21           1H       MET  21  14.700 -21.146  -7.991
    3    HB2  MET  21           HB2      MET  21  14.752 -22.051 -10.964
    4    HB3  MET  21           HB3      MET  21  13.250 -21.264 -10.487
    5    HG2  MET  21           HG2      MET  21  13.564 -19.557 -12.150
    6    HG3  MET  21           HG3      MET  21  15.145 -20.215 -12.567
    7    HE1  MET  21           HE3      MET  21  14.668 -23.328 -12.533
    8    HE2  MET  21           HE1      MET  21  14.300 -23.594 -14.238
    9    HE3  MET  21           HE2      MET  21  15.558 -22.447 -13.773
   10    H    ALA  22           HN       ALA  22  14.059 -18.209 -11.144
   11    HA   ALA  22           HA       ALA  22  13.667 -16.564  -8.834
   12    HB1  ALA  22           HB3      ALA  22  12.929 -14.846 -10.344
   13    HB2  ALA  22           HB1      ALA  22  14.361 -15.635 -11.006
   14    HB3  ALA  22           HB2      ALA  22  12.765 -16.015 -11.655
   15    H    GLU  23           HN       GLU  23  12.172 -18.295  -7.887
   16    HA   GLU  23           HA       GLU  23  10.153 -18.804  -7.009
   17    HB2  GLU  23           HB2      GLU  23  10.157 -16.394  -6.484
   18    HB3  GLU  23           HB3      GLU  23   9.380 -16.059  -8.021
   19    HG2  GLU  23           HG2      GLU  23   7.751 -15.961  -6.256
   20    HG3  GLU  23           HG3      GLU  23   7.414 -17.352  -7.283
   21    H    GLN  24           HN       GLN  24   8.543 -16.840  -9.377
   22    HA   GLN  24           HA       GLN  24   8.074 -18.693 -11.383
   23    HB2  GLN  24           HB2      GLN  24   6.907 -20.089  -9.800
   24    HB3  GLN  24           HB3      GLN  24   5.974 -18.725  -9.199
   25    HG2  GLN  24           HG2      GLN  24   4.920 -18.550 -11.458
   26    HG3  GLN  24           HG3      GLN  24   5.751 -20.038 -11.901
   27   HE21  GLN  24          HE21      GLN  24   3.309 -18.620  -9.863
   28   HE22  GLN  24          HE22      GLN  24   2.482 -20.093  -9.483
   29    H    SER  25           HN       SER  25   6.282 -16.355  -9.384
   30    HA   SER  25           HA       SER  25   5.559 -14.937 -11.855
   31    HG   SER  25           HG       SER  25   3.582 -15.157  -8.567
   32    HB2  SER  25           HB2      SER  25   3.416 -14.356 -10.529
   33    HB3  SER  25           HB3      SER  25   3.560 -15.971 -11.219
   34    H    ASP  26           HN       ASP  26   7.743 -13.987 -10.838
   35    HA   ASP  26           HA       ASP  26   8.710 -11.998 -10.295
   36    HB2  ASP  26           HB2      ASP  26   6.699 -11.082 -11.516
   37    HB3  ASP  26           HB3      ASP  26   5.898 -10.920  -9.959
   38    H    GLU  27           HN       GLU  27   7.953 -10.032  -8.359
   39    HA   GLU  27           HA       GLU  27   8.854 -11.425  -6.027
   40    HB2  GLU  27           HB2      GLU  27   8.069  -8.573  -6.554
   41    HB3  GLU  27           HB3      GLU  27   8.440  -9.135  -4.938
   42    HG2  GLU  27           HG2      GLU  27  10.683  -9.836  -5.789
   43    HG3  GLU  27           HG3      GLU  27  10.279  -9.022  -7.305
   44    H    ALA  28           HN       ALA  28   7.801 -10.863  -3.882
   45    HA   ALA  28           HA       ALA  28   4.910 -11.252  -4.020
   46    HB1  ALA  28           HB3      ALA  28   5.064 -11.715  -1.622
   47    HB2  ALA  28           HB1      ALA  28   6.183 -12.725  -2.530
   48    HB3  ALA  28           HB2      ALA  28   6.781 -11.319  -1.650
   49    H    VAL  29           HN       VAL  29   3.475  -9.730  -3.291
   50    HA   VAL  29           HA       VAL  29   4.403  -7.032  -3.021
   51    HB   VAL  29           HB       VAL  29   1.624  -8.078  -2.425
   52   HG11  VAL  29          HG11      VAL  29   2.590  -5.329  -3.205
   53   HG12  VAL  29          HG12      VAL  29   0.913  -5.799  -2.941
   54   HG13  VAL  29          HG13      VAL  29   2.056  -5.821  -1.597
   55   HG21  VAL  29          HG23      VAL  29   2.274  -8.750  -4.671
   56   HG22  VAL  29          HG21      VAL  29   1.055  -7.476  -4.732
   57   HG23  VAL  29          HG22      VAL  29   2.747  -7.092  -5.043
   58    H    LYS  30           HN       LYS  30   5.002  -6.045  -1.193
   59    HA   LYS  30           HA       LYS  30   5.008  -7.546   1.236
   60    HB2  LYS  30           HB2      LYS  30   5.796  -4.675   0.709
   61    HB3  LYS  30           HB3      LYS  30   5.938  -5.455   2.277
   62    HG2  LYS  30           HG2      LYS  30   8.082  -5.518   1.282
   63    HG3  LYS  30           HG3      LYS  30   7.436  -7.157   1.192
   64    HD2  LYS  30           HD2      LYS  30   6.722  -6.638  -1.164
   65    HD3  LYS  30           HD3      LYS  30   7.609  -5.122  -1.030
   66    HE2  LYS  30           HE2      LYS  30   9.673  -6.379  -0.615
   67    HE3  LYS  30           HE3      LYS  30   8.781  -7.891  -0.766
   68    HZ1  LYS  30           HZ3      LYS  30   9.211  -5.857  -2.893
   69    HZ2  LYS  30           HZ1      LYS  30   8.179  -7.189  -3.054
   70    HZ3  LYS  30           HZ2      LYS  30   9.844  -7.427  -2.854
   71    H    TYR  31           HN       TYR  31   3.606  -7.545   2.855
   72    HA   TYR  31           HA       TYR  31   1.247  -5.841   2.517
   73    HD1  TYR  31           HD2      TYR  31  -0.157  -7.148   0.993
   74    HD2  TYR  31           HD1      TYR  31   1.869 -10.318   2.979
   75    HE1  TYR  31           HE2      TYR  31  -0.344  -8.533  -1.030
   76    HE2  TYR  31           HE1      TYR  31   1.683 -11.712   0.965
   77    HH   TYR  31           HH       TYR  31   0.834 -10.465  -2.048
   78    HB2  TYR  31           HB2      TYR  31   1.450  -8.374   4.146
   79    HB3  TYR  31           HB3      TYR  31  -0.012  -7.510   3.687
   80    H    TYR  32           HN       TYR  32   0.188  -4.994   4.380
   81    HA   TYR  32           HA       TYR  32   1.863  -4.754   6.792
   82    HD1  TYR  32           HD2      TYR  32   1.547  -2.861   3.384
   83    HD2  TYR  32           HD1      TYR  32   3.401  -1.968   7.108
   84    HE1  TYR  32           HE2      TYR  32   3.583  -2.177   2.193
   85    HE2  TYR  32           HE1      TYR  32   5.452  -1.289   5.923
   86    HH   TYR  32           HH       TYR  32   5.539  -0.923   2.467
   87    HB2  TYR  32           HB2      TYR  32   0.226  -2.555   5.491
   88    HB3  TYR  32           HB3      TYR  32   1.082  -2.415   7.030
   89    H    THR  33           HN       THR  33   0.597  -4.347   8.787
   90    HA   THR  33           HA       THR  33  -1.808  -5.957   8.620
   91    HB   THR  33           HB       THR  33  -1.856  -5.900  11.053
   92    HG1  THR  33           HG1      THR  33   0.237  -4.772  11.910
   93   HG21  THR  33          HG23      THR  33   0.925  -6.362   9.975
   94   HG22  THR  33          HG21      THR  33  -0.384  -7.542  10.021
   95   HG23  THR  33          HG22      THR  33   0.327  -6.950  11.523
   96    H    LEU  34           HN       LEU  34  -3.867  -5.331   9.223
   97    HA   LEU  34           HA       LEU  34  -4.695  -2.730   8.593
   98    HG   LEU  34           HG       LEU  34  -7.224  -2.782  10.547
   99    HB2  LEU  34           HB2      LEU  34  -6.169  -4.648   8.425
  100    HB3  LEU  34           HB3      LEU  34  -6.066  -4.933  10.149
  101   HD11  LEU  34          HD11      LEU  34  -8.349  -1.691   8.626
  102   HD12  LEU  34          HD12      LEU  34  -6.592  -1.548   8.589
  103   HD13  LEU  34          HD13      LEU  34  -7.403  -2.713   7.542
  104   HD21  LEU  34          HD23      LEU  34  -8.703  -4.650   8.698
  105   HD22  LEU  34          HD21      LEU  34  -8.486  -4.879  10.435
  106   HD23  LEU  34          HD22      LEU  34  -9.431  -3.514   9.837
  107    H    GLU  35           HN       GLU  35  -3.562  -4.231  11.420
  108    HA   GLU  35           HA       GLU  35  -4.528  -2.641  13.504
  109    HB2  GLU  35           HB2      GLU  35  -1.791  -3.898  13.454
  110    HB3  GLU  35           HB3      GLU  35  -2.830  -3.619  14.839
  111    HG2  GLU  35           HG2      GLU  35  -4.335  -5.379  14.073
  112    HG3  GLU  35           HG3      GLU  35  -3.310  -5.648  12.663
  113    H    GLU  36           HN       GLU  36  -1.601  -2.437  11.549
  114    HA   GLU  36           HA       GLU  36  -0.455  -0.447  13.271
  115    HB2  GLU  36           HB2      GLU  36   1.527  -0.691  11.968
  116    HB3  GLU  36           HB3      GLU  36   0.844  -2.289  12.199
  117    HG2  GLU  36           HG2      GLU  36  -0.114  -2.171   9.924
  118    HG3  GLU  36           HG3      GLU  36   0.690  -0.617   9.708
  119    H    ILE  37           HN       ILE  37  -2.028  -0.517  10.182
  120    HA   ILE  37           HA       ILE  37  -1.277   2.080   9.326
  121    HB   ILE  37           HB       ILE  37  -3.721   0.474   8.557
  122   HG12  ILE  37          HG12      ILE  37  -1.026   0.659   7.199
  123   HG13  ILE  37          HG13      ILE  37  -1.541  -0.686   8.208
  124   HG21  ILE  37          HG21      ILE  37  -4.003   2.775   7.922
  125   HG22  ILE  37          HG22      ILE  37  -2.377   2.833   7.236
  126   HG23  ILE  37          HG23      ILE  37  -3.621   1.842   6.476
  127   HD11  ILE  37          HD13      ILE  37  -3.313  -1.202   6.651
  128   HD12  ILE  37          HD11      ILE  37  -2.871   0.187   5.660
  129   HD13  ILE  37          HD12      ILE  37  -1.757  -1.168   5.828
  130    H    GLN  38           HN       GLN  38  -4.039   0.805  11.156
  131    HA   GLN  38           HA       GLN  38  -5.344   3.237  11.656
  132    HB2  GLN  38           HB2      GLN  38  -5.150   0.599  13.011
  133    HB3  GLN  38           HB3      GLN  38  -5.715   1.948  13.986
  134    HG2  GLN  38           HG2      GLN  38  -6.923   1.115  11.360
  135    HG3  GLN  38           HG3      GLN  38  -7.530   0.637  12.947
  136   HE21  GLN  38          HE21      GLN  38  -7.240   3.198  10.636
  137   HE22  GLN  38          HE22      GLN  38  -8.306   4.308  11.429
  138    H    LYS  39           HN       LYS  39  -2.560   1.698  13.088
  139    HA   LYS  39           HA       LYS  39  -2.402   3.517  15.307
  140    HB2  LYS  39           HB2      LYS  39  -1.736   0.963  15.031
  141    HB3  LYS  39           HB3      LYS  39  -0.189   1.655  14.572
  142    HG2  LYS  39           HG2      LYS  39   0.123   2.632  16.681
  143    HG3  LYS  39           HG3      LYS  39  -1.568   2.403  17.129
  144    HD2  LYS  39           HD2      LYS  39   0.425   0.185  16.658
  145    HD3  LYS  39           HD3      LYS  39  -0.074   0.782  18.240
  146    HE2  LYS  39           HE2      LYS  39  -2.381   0.133  17.762
  147    HE3  LYS  39           HE3      LYS  39  -1.894  -0.448  16.174
  148    HZ1  LYS  39           HZ3      LYS  39  -2.142  -2.202  17.904
  149    HZ2  LYS  39           HZ1      LYS  39  -0.807  -1.540  18.712
  150    HZ3  LYS  39           HZ2      LYS  39  -0.620  -2.183  17.154
  151    H    HIS  40           HN       HIS  40  -1.716   3.948  12.168
  152    HA   HIS  40           HA       HIS  40   0.646   5.643  12.683
  153    HD1  HIS  40           HD1      HIS  40   1.429   2.078   9.826
  154    HD2  HIS  40           HD2      HIS  40   2.714   4.505  12.950
  155    HE1  HIS  40           HE1      HIS  40   3.339   0.844  10.894
  156    HE2  HIS  40           HE2      HIS  40   4.221   2.413  12.667
  157    HB2  HIS  40           HB2      HIS  40  -0.092   4.043  10.218
  158    HB3  HIS  40           HB3      HIS  40   1.084   5.350  10.169
  159    H    ASN  41           HN       ASN  41  -2.349   6.054  12.757
  160    HA   ASN  41           HA       ASN  41  -3.071   7.600  10.431
  161    HB2  ASN  41           HB2      ASN  41  -5.241   7.603  11.297
  162    HB3  ASN  41           HB3      ASN  41  -4.583   6.097  11.922
  163   HD21  ASN  41          HD21      ASN  41  -4.170   5.909  14.133
  164   HD22  ASN  41          HD22      ASN  41  -4.789   7.045  15.285
  165    H    HIS  42           HN       HIS  42  -1.002   8.518  12.604
  166    HA   HIS  42           HA       HIS  42  -2.379  10.949  13.559
  167    HD1  HIS  42           HD1      HIS  42   1.110   9.293  13.669
  168    HD2  HIS  42           HD2      HIS  42  -0.860   7.480  16.857
  169    HE1  HIS  42           HE1      HIS  42   2.532   7.318  14.301
  170    HE2  HIS  42           HE2      HIS  42   1.226   6.144  16.114
  171    HB2  HIS  42           HB2      HIS  42  -1.016  10.677  15.662
  172    HB3  HIS  42           HB3      HIS  42  -2.235   9.435  15.413
  173    H    SER  43           HN       SER  43  -0.961  12.722  14.144
  174    HA   SER  43           HA       SER  43   0.514  13.976  12.476
  175    HG   SER  43           HG       SER  43   0.355  13.544  16.176
  176    HB2  SER  43           HB2      SER  43   2.097  14.676  14.382
  177    HB3  SER  43           HB3      SER  43   0.363  14.930  14.593
  178    H    LYS  44           HN       LYS  44   2.325  11.703  14.539
  179    HA   LYS  44           HA       LYS  44   4.825  11.967  13.410
  180    HB2  LYS  44           HB2      LYS  44   3.490   9.782  14.931
  181    HB3  LYS  44           HB3      LYS  44   5.069   9.478  14.228
  182    HG2  LYS  44           HG2      LYS  44   5.794  11.630  15.437
  183    HG3  LYS  44           HG3      LYS  44   4.308  11.429  16.369
  184    HD2  LYS  44           HD2      LYS  44   5.009   9.236  17.095
  185    HD3  LYS  44           HD3      LYS  44   6.437   9.316  16.060
  186    HE2  LYS  44           HE2      LYS  44   7.233   9.829  18.199
  187    HE3  LYS  44           HE3      LYS  44   7.081  11.387  17.388
  188    HZ1  LYS  44           HZ3      LYS  44   4.940  11.686  18.524
  189    HZ2  LYS  44           HZ1      LYS  44   6.240  11.540  19.601
  190    HZ3  LYS  44           HZ2      LYS  44   5.190  10.232  19.363
  191    H    SER  45           HN       SER  45   2.169  10.498  11.864
  192    HA   SER  45           HA       SER  45   3.827   9.541   9.713
  193    HG   SER  45           HG       SER  45   4.739   8.133  11.425
  194    HB2  SER  45           HB2      SER  45   2.027   7.548  11.129
  195    HB3  SER  45           HB3      SER  45   3.081   7.230   9.756
  196    H    THR  46           HN       THR  46   2.369   8.721   7.870
  197    HA   THR  46           HA       THR  46  -0.455   9.274   8.216
  198    HB   THR  46           HB       THR  46   1.068  10.732   6.032
  199    HG1  THR  46           HG1      THR  46   0.642  11.411   8.606
  200   HG21  THR  46          HG23      THR  46  -1.188  10.127   5.364
  201   HG22  THR  46          HG21      THR  46  -1.091  11.865   5.653
  202   HG23  THR  46          HG22      THR  46  -1.838  10.810   6.855
  203    H    TRP  47           HN       TRP  47  -0.913   7.148   7.701
  204    HA   TRP  47           HA       TRP  47  -0.227   6.315   4.961
  205    HD1  TRP  47           HD1      TRP  47   1.907   6.510   6.064
  206    HE1  TRP  47           HE1      TRP  47   4.170   5.386   6.512
  207    HE3  TRP  47           HE3      TRP  47   0.260   1.823   7.246
  208    HZ2  TRP  47           HZ2      TRP  47   5.121   2.851   7.271
  209    HZ3  TRP  47           HZ3      TRP  47   1.919   0.102   7.818
  210    HH2  TRP  47           HH2      TRP  47   4.304   0.607   7.823
  211    HB2  TRP  47           HB2      TRP  47  -0.824   4.636   7.398
  212    HB3  TRP  47           HB3      TRP  47  -0.759   3.983   5.767
  213    H    LEU  48           HN       LEU  48  -1.917   5.197   3.760
  214    HA   LEU  48           HA       LEU  48  -4.556   5.184   4.959
  215    HG   LEU  48           HG       LEU  48  -3.890   5.790   1.432
  216    HB2  LEU  48           HB2      LEU  48  -5.680   6.426   3.267
  217    HB3  LEU  48           HB3      LEU  48  -4.378   7.429   3.879
  218   HD11  LEU  48          HD11      LEU  48  -5.354   8.425   1.455
  219   HD12  LEU  48          HD12      LEU  48  -4.751   7.587   0.026
  220   HD13  LEU  48          HD13      LEU  48  -6.033   6.861   0.996
  221   HD21  LEU  48          HD23      LEU  48  -2.072   7.038   2.514
  222   HD22  LEU  48          HD21      LEU  48  -2.412   7.627   0.887
  223   HD23  LEU  48          HD22      LEU  48  -2.981   8.533   2.287
  224    H    ILE  49           HN       ILE  49  -6.179   4.299   3.293
  225    HA   ILE  49           HA       ILE  49  -4.940   2.417   1.402
  226    HB   ILE  49           HB       ILE  49  -7.234   1.701   3.254
  227   HG12  ILE  49          HG12      ILE  49  -4.427   0.606   3.392
  228   HG13  ILE  49          HG13      ILE  49  -4.972   1.953   4.389
  229   HG21  ILE  49          HG21      ILE  49  -7.336   0.469   1.182
  230   HG22  ILE  49          HG22      ILE  49  -5.627   0.044   1.310
  231   HG23  ILE  49          HG23      ILE  49  -6.788  -0.607   2.467
  232   HD11  ILE  49          HD13      ILE  49  -5.086  -0.155   5.591
  233   HD12  ILE  49          HD11      ILE  49  -6.693   0.541   5.364
  234   HD13  ILE  49          HD12      ILE  49  -6.165  -0.807   4.356
  235    H    LEU  50           HN       LEU  50  -5.907   2.610  -0.550
  236    HA   LEU  50           HA       LEU  50  -8.326   4.193  -0.711
  237    HG   LEU  50           HG       LEU  50  -5.844   5.475  -1.773
  238    HB2  LEU  50           HB2      LEU  50  -6.294   3.302  -2.699
  239    HB3  LEU  50           HB3      LEU  50  -7.876   3.807  -3.262
  240   HD11  LEU  50          HD11      LEU  50  -7.157   5.954  -4.439
  241   HD12  LEU  50          HD12      LEU  50  -5.814   6.843  -3.719
  242   HD13  LEU  50          HD13      LEU  50  -5.587   5.174  -4.246
  243   HD21  LEU  50          HD23      LEU  50  -8.023   5.975  -0.852
  244   HD22  LEU  50          HD21      LEU  50  -7.509   7.298  -1.897
  245   HD23  LEU  50          HD22      LEU  50  -8.705   6.131  -2.470
  246    H    HIS  51           HN       HIS  51  -7.317   1.235  -2.309
  247    HA   HIS  51           HA       HIS  51 -10.046   0.210  -1.939
  248    HD1  HIS  51           HD1      HIS  51 -11.321  -0.296  -5.843
  249    HD2  HIS  51           HD2      HIS  51  -9.884   2.830  -3.513
  250    HE1  HIS  51           HE1      HIS  51 -12.759   1.682  -6.401
  251    HE2  HIS  51           HE2      HIS  51 -12.044   3.467  -4.775
  252    HB2  HIS  51           HB2      HIS  51  -8.324   0.115  -4.407
  253    HB3  HIS  51           HB3      HIS  51  -9.614  -1.055  -4.158
  254    H    HIS  52           HN       HIS  52  -6.658  -0.749  -2.490
  255    HA   HIS  52           HA       HIS  52  -6.850  -2.550  -0.305
  256    HD1  HIS  52           HD1      HIS  52  -4.919  -5.080  -3.769
  257    HD2  HIS  52           HD2      HIS  52  -8.215  -2.583  -4.144
  258    HE1  HIS  52           HE1      HIS  52  -5.264  -4.787  -6.249
  259    HE2  HIS  52           HE2      HIS  52  -7.426  -3.496  -6.453
  260    HB2  HIS  52           HB2      HIS  52  -5.984  -4.568  -1.611
  261    HB3  HIS  52           HB3      HIS  52  -7.700  -4.198  -1.714
  262    H    LYS  53           HN       LYS  53  -5.089  -0.754  -2.557
  263    HA   LYS  53           HA       LYS  53  -2.490  -1.618  -1.634
  264    HB2  LYS  53           HB2      LYS  53  -3.411   0.528  -3.529
  265    HB3  LYS  53           HB3      LYS  53  -1.744   0.441  -2.986
  266    HG2  LYS  53           HG2      LYS  53  -3.092  -1.913  -4.253
  267    HG3  LYS  53           HG3      LYS  53  -2.351  -0.639  -5.216
  268    HD2  LYS  53           HD2      LYS  53  -0.273  -1.031  -3.747
  269    HD3  LYS  53           HD3      LYS  53  -1.055  -2.548  -3.305
  270    HE2  LYS  53           HE2      LYS  53  -0.508  -1.710  -6.148
  271    HE3  LYS  53           HE3      LYS  53   0.596  -2.696  -5.194
  272    HZ1  LYS  53           HZ3      LYS  53  -2.162  -3.405  -6.041
  273    HZ2  LYS  53           HZ1      LYS  53  -1.246  -4.330  -4.950
  274    HZ3  LYS  53           HZ2      LYS  53  -0.713  -4.118  -6.546
  275    H    VAL  54           HN       VAL  54  -1.393  -0.746   0.039
  276    HA   VAL  54           HA       VAL  54  -2.611   1.455   1.525
  277    HB   VAL  54           HB       VAL  54  -1.787  -0.503   2.776
  278   HG11  VAL  54          HG11      VAL  54   0.040  -1.222   1.402
  279   HG12  VAL  54          HG12      VAL  54   0.920   0.271   1.730
  280   HG13  VAL  54          HG13      VAL  54   0.634  -0.884   3.030
  281   HG21  VAL  54          HG23      VAL  54  -0.434   0.694   4.463
  282   HG22  VAL  54          HG21      VAL  54  -0.245   2.028   3.322
  283   HG23  VAL  54          HG22      VAL  54  -1.846   1.614   3.938
  284    H    TYR  55           HN       TYR  55  -1.596   3.471   1.812
  285    HA   TYR  55           HA       TYR  55   0.752   3.935   0.091
  286    HD1  TYR  55           HD2      TYR  55  -2.902   3.858  -0.397
  287    HD2  TYR  55           HD1      TYR  55   0.004   6.093  -2.559
  288    HE1  TYR  55           HE2      TYR  55  -3.917   3.118  -2.514
  289    HE2  TYR  55           HE1      TYR  55  -1.001   5.363  -4.679
  290    HH   TYR  55           HH       TYR  55  -4.035   3.723  -4.817
  291    HB2  TYR  55           HB2      TYR  55  -1.533   5.850   0.610
  292    HB3  TYR  55           HB3      TYR  55  -0.051   6.259  -0.241
  293    H    ASP  56           HN       ASP  56   2.273   5.447   0.801
  294    HA   ASP  56           HA       ASP  56   1.891   6.464   3.542
  295    HB2  ASP  56           HB2      ASP  56   3.767   4.993   3.627
  296    HB3  ASP  56           HB3      ASP  56   4.433   5.629   2.130
  297    H    LEU  57           HN       LEU  57   1.696   8.639   3.678
  298    HA   LEU  57           HA       LEU  57   2.602  10.171   1.344
  299    HG   LEU  57           HG       LEU  57  -0.352   9.381   2.429
  300    HB2  LEU  57           HB2      LEU  57   0.870  11.197   3.588
  301    HB3  LEU  57           HB3      LEU  57   1.173  11.953   2.041
  302   HD11  LEU  57          HD11      LEU  57  -1.288  12.178   1.816
  303   HD12  LEU  57          HD12      LEU  57  -2.299  10.735   1.775
  304   HD13  LEU  57          HD13      LEU  57  -1.586  11.269   3.295
  305   HD21  LEU  57          HD23      LEU  57   0.843   9.499   0.293
  306   HD22  LEU  57          HD21      LEU  57  -0.905   9.607   0.070
  307   HD23  LEU  57          HD22      LEU  57   0.090  11.061  -0.038
  308    H    THR  58           HN       THR  58   2.363  10.777   4.811
  309    HA   THR  58           HA       THR  58   3.675  11.789   6.319
  310    HB   THR  58           HB       THR  58   5.873  10.491   4.719
  311    HG1  THR  58           HG1      THR  58   4.993   8.703   5.479
  312   HG21  THR  58          HG23      THR  58   5.782  11.448   7.581
  313   HG22  THR  58          HG21      THR  58   6.803  12.083   6.290
  314   HG23  THR  58          HG22      THR  58   7.063  10.446   6.898
  315    H    LYS  59           HN       LYS  59   5.866  12.184   3.513
  316    HA   LYS  59           HA       LYS  59   6.300  14.945   4.226
  317    HB2  LYS  59           HB2      LYS  59   7.472  13.004   2.323
  318    HB3  LYS  59           HB3      LYS  59   7.545  14.693   1.836
  319    HG2  LYS  59           HG2      LYS  59   8.607  13.555   4.418
  320    HG3  LYS  59           HG3      LYS  59   9.567  14.027   3.014
  321    HD2  LYS  59           HD2      LYS  59   7.787  15.908   4.574
  322    HD3  LYS  59           HD3      LYS  59   9.532  15.756   4.815
  323    HE2  LYS  59           HE2      LYS  59   9.950  16.449   2.551
  324    HE3  LYS  59           HE3      LYS  59   8.224  16.454   2.198
  325    HZ1  LYS  59           HZ3      LYS  59   9.497  18.225   4.211
  326    HZ2  LYS  59           HZ1      LYS  59   7.900  18.300   3.647
  327    HZ3  LYS  59           HZ2      LYS  59   9.183  18.680   2.613
  328    H    PHE  60           HN       PHE  60   4.427  13.130   1.996
  329    HA   PHE  60           HA       PHE  60   3.993  14.933  -0.099
  330    HD1  PHE  60           HD2      PHE  60   3.397  13.999  -2.364
  331    HD2  PHE  60           HD1      PHE  60   0.076  12.975   0.094
  332    HE1  PHE  60           HE2      PHE  60   1.874  14.409  -4.254
  333    HE2  PHE  60           HE1      PHE  60  -1.450  13.374  -1.791
  334    HZ   PHE  60           HZ       PHE  60  -0.552  14.093  -3.966
  335    HB2  PHE  60           HB2      PHE  60   3.518  12.507  -0.184
  336    HB3  PHE  60           HB3      PHE  60   2.183  12.749   0.932
  337    H    LEU  61           HN       LEU  61   2.850  14.991   3.048
  338    HA   LEU  61           HA       LEU  61   0.212  15.702   2.908
  339    HG   LEU  61           HG       LEU  61   2.207  14.225   4.896
  340    HB2  LEU  61           HB2      LEU  61   2.284  16.663   4.885
  341    HB3  LEU  61           HB3      LEU  61   0.547  16.745   5.122
  342   HD11  LEU  61          HD11      LEU  61   2.419  15.309   7.057
  343   HD12  LEU  61          HD12      LEU  61   0.664  15.381   7.213
  344   HD13  LEU  61          HD13      LEU  61   1.483  13.820   7.190
  345   HD21  LEU  61          HD23      LEU  61   0.129  13.026   5.315
  346   HD22  LEU  61          HD21      LEU  61  -0.766  14.545   5.235
  347   HD23  LEU  61          HD22      LEU  61   0.063  13.931   3.804
  348    H    GLU  62           HN       GLU  62   3.012  17.708   2.329
  349    HA   GLU  62           HA       GLU  62   1.527  20.187   2.670
  350    HB2  GLU  62           HB2      GLU  62   3.750  21.247   2.301
  351    HB3  GLU  62           HB3      GLU  62   3.731  20.095   3.631
  352    HG2  GLU  62           HG2      GLU  62   4.712  18.404   2.111
  353    HG3  GLU  62           HG3      GLU  62   4.842  19.649   0.870
  354    H    GLU  63           HN       GLU  63   2.530  18.143   0.160
  355    HA   GLU  63           HA       GLU  63   2.672  20.158  -1.928
  356    HB2  GLU  63           HB2      GLU  63   3.465  17.361  -1.503
  357    HB3  GLU  63           HB3      GLU  63   2.889  17.691  -3.127
  358    HG2  GLU  63           HG2      GLU  63   5.047  19.275  -1.764
  359    HG3  GLU  63           HG3      GLU  63   5.349  17.876  -2.796
  360    H    HIS  64           HN       HIS  64   0.409  17.994  -0.570
  361    HA   HIS  64           HA       HIS  64  -1.157  17.616  -2.906
  362    HD1  HIS  64           HD1      HIS  64  -4.314  16.873   0.188
  363    HD2  HIS  64           HD2      HIS  64  -2.768  14.906  -3.188
  364    HE1  HIS  64           HE1      HIS  64  -6.210  15.465  -0.774
  365    HB2  HIS  64           HB3      HIS  64  -1.021  15.987  -1.060
  366    HB3  HIS  64           HB2      HIS  64  -1.818  17.095   0.007
  367    HA   PRO  65           HA       PRO  65  -3.275  21.547  -2.984
  368    HB2  PRO  65           HB2      PRO  65  -5.755  20.674  -3.896
  369    HB3  PRO  65           HB3      PRO  65  -4.370  21.079  -4.909
  370    HG2  PRO  65           HG2      PRO  65  -5.327  18.408  -3.979
  371    HG3  PRO  65           HG3      PRO  65  -4.636  18.873  -5.545
  372    HD2  PRO  65           HD2      PRO  65  -3.192  17.543  -3.720
  373    HD3  PRO  65           HD3      PRO  65  -2.453  18.796  -4.740
  374    H    GLY  66           HN       GLY  66  -5.054  18.849  -1.547
  375    HA2  GLY  66           HA1      GLY  66  -6.083  20.737   0.482
  376    HA3  GLY  66           HA2      GLY  66  -6.896  19.234   0.035
  377    H    GLY  67           HN       GLY  67  -3.886  20.502   1.434
  378    HA2  GLY  67           HA1      GLY  67  -3.067  17.766   2.005
  379    HA3  GLY  67           HA2      GLY  67  -2.039  19.182   2.038
  380    H    GLU  68           HN       GLU  68  -1.709  17.444   3.896
  381    HA   GLU  68           HA       GLU  68  -1.494  17.024   6.074
  382    HB2  GLU  68           HB2      GLU  68  -0.566  19.310   6.016
  383    HB3  GLU  68           HB3      GLU  68  -2.149  19.955   6.424
  384    HG2  GLU  68           HG2      GLU  68  -2.100  18.767   8.551
  385    HG3  GLU  68           HG3      GLU  68  -0.538  18.071   8.132
  386    H    GLU  69           HN       GLU  69  -3.993  19.474   6.545
  387    HA   GLU  69           HA       GLU  69  -5.141  18.127   8.692
  388    HB2  GLU  69           HB2      GLU  69  -6.949  19.745   8.582
  389    HB3  GLU  69           HB3      GLU  69  -5.403  20.536   8.333
  390    HG2  GLU  69           HG2      GLU  69  -5.848  20.597   5.911
  391    HG3  GLU  69           HG3      GLU  69  -7.406  19.826   6.195
  392    H    VAL  70           HN       VAL  70  -6.052  18.145   5.308
  393    HA   VAL  70           HA       VAL  70  -8.639  17.019   5.697
  394    HB   VAL  70           HB       VAL  70  -7.047  17.228   3.140
  395   HG11  VAL  70          HG11      VAL  70 -10.031  17.096   3.541
  396   HG12  VAL  70          HG12      VAL  70  -9.171  17.139   2.003
  397   HG13  VAL  70          HG13      VAL  70  -9.020  15.734   3.062
  398   HG21  VAL  70          HG23      VAL  70  -8.181  19.345   2.759
  399   HG22  VAL  70          HG21      VAL  70  -8.975  19.220   4.329
  400   HG23  VAL  70          HG22      VAL  70  -7.222  19.407   4.237
  401    H    LEU  71           HN       LEU  71  -5.489  15.688   5.184
  402    HA   LEU  71           HA       LEU  71  -6.302  13.190   4.078
  403    HG   LEU  71           HG       LEU  71  -2.679  13.642   3.273
  404    HB2  LEU  71           HB2      LEU  71  -3.762  14.049   5.455
  405    HB3  LEU  71           HB3      LEU  71  -4.004  12.431   4.838
  406   HD11  LEU  71          HD11      LEU  71  -5.492  13.466   2.205
  407   HD12  LEU  71          HD12      LEU  71  -4.009  13.465   1.254
  408   HD13  LEU  71          HD13      LEU  71  -4.361  12.119   2.342
  409   HD21  LEU  71          HD23      LEU  71  -4.863  15.712   3.198
  410   HD22  LEU  71          HD21      LEU  71  -3.278  15.903   3.943
  411   HD23  LEU  71          HD22      LEU  71  -3.411  15.692   2.197
  412    H    ARG  72           HN       ARG  72  -6.013  14.440   7.283
  413    HA   ARG  72           HA       ARG  72  -5.406  12.106   8.672
  414    HE   ARG  72           HE       ARG  72  -4.866  13.529  12.169
  415    HB2  ARG  72           HB2      ARG  72  -6.802  14.619   9.571
  416    HB3  ARG  72           HB3      ARG  72  -6.283  13.342  10.668
  417    HG2  ARG  72           HG2      ARG  72  -3.953  13.661   9.782
  418    HG3  ARG  72           HG3      ARG  72  -4.551  15.087   8.932
  419    HD2  ARG  72           HD2      ARG  72  -3.484  15.634  11.090
  420    HD3  ARG  72           HD3      ARG  72  -5.177  16.126  11.017
  421   HH11  ARG  72          HH12      ARG  72  -4.642  16.963  12.834
  422   HH12  ARG  72          HH11      ARG  72  -4.948  16.786  14.533
  423   HH21  ARG  72          HH22      ARG  72  -5.222  13.288  14.403
  424   HH22  ARG  72          HH21      ARG  72  -5.252  14.686  15.427
  425    H    GLU  73           HN       GLU  73  -8.432  13.383   7.585
  426    HA   GLU  73           HA       GLU  73 -10.244  12.225   9.350
  427    HB2  GLU  73           HB2      GLU  73 -10.843  14.028   7.823
  428    HB3  GLU  73           HB3      GLU  73 -10.602  12.967   6.437
  429    HG2  GLU  73           HG2      GLU  73 -12.443  11.527   7.329
  430    HG3  GLU  73           HG3      GLU  73 -12.737  12.757   8.552
  431    H    GLN  74           HN       GLN  74  -8.578  10.853   6.658
  432    HA   GLN  74           HA       GLN  74 -10.264   8.440   6.766
  433    HB2  GLN  74           HB2      GLN  74  -9.060   9.820   4.360
  434    HB3  GLN  74           HB3      GLN  74  -9.895   8.269   4.312
  435    HG2  GLN  74           HG2      GLN  74 -11.213  10.750   5.368
  436    HG3  GLN  74           HG3      GLN  74 -11.213  10.349   3.651
  437   HE21  GLN  74          HE21      GLN  74 -12.384   8.603   2.934
  438   HE22  GLN  74          HE22      GLN  74 -13.584   7.819   3.894
  439    H    ALA  75           HN       ALA  75  -7.237   9.723   7.206
  440    HA   ALA  75           HA       ALA  75  -5.604   7.621   6.155
  441    HB1  ALA  75           HB3      ALA  75  -4.979   9.790   8.152
  442    HB2  ALA  75           HB1      ALA  75  -3.793   8.727   7.398
  443    HB3  ALA  75           HB2      ALA  75  -4.710   9.866   6.412
  444    H    GLY  76           HN       GLY  76  -5.142   5.739   7.066
  445    HA2  GLY  76           HA1      GLY  76  -4.551   4.582   9.207
  446    HA3  GLY  76           HA2      GLY  76  -6.018   5.316   9.853
  447    H    GLY  77           HN       GLY  77  -7.141   4.854   7.021
  448    HA2  GLY  77           HA1      GLY  77  -7.210   1.996   6.731
  449    HA3  GLY  77           HA2      GLY  77  -8.715   2.662   7.369
  450    H    ASP  78           HN       ASP  78  -9.988   2.250   5.591
  451    HA   ASP  78           HA       ASP  78  -9.121   2.903   2.960
  452    HB2  ASP  78           HB2      ASP  78 -11.469   2.411   2.285
  453    HB3  ASP  78           HB3      ASP  78 -10.692   1.114   3.182
  454    H    ALA  79           HN       ALA  79  -9.677   4.585   1.618
  455    HA   ALA  79           HA       ALA  79 -11.009   6.885   2.890
  456    HB1  ALA  79           HB3      ALA  79  -9.287   8.359   1.909
  457    HB2  ALA  79           HB1      ALA  79  -8.628   7.229   3.091
  458    HB3  ALA  79           HB2      ALA  79  -8.408   6.929   1.367
  459    H    THR  80           HN       THR  80 -11.380   4.787   0.508
  460    HA   THR  80           HA       THR  80 -11.375   6.268  -1.877
  461    HB   THR  80           HB       THR  80 -11.410   3.773  -1.737
  462    HG1  THR  80           HG1      THR  80 -13.588   4.614  -3.355
  463   HG21  THR  80          HG23      THR  80 -13.241   3.577  -0.086
  464   HG22  THR  80          HG21      THR  80 -13.533   2.618  -1.539
  465   HG23  THR  80          HG22      THR  80 -14.376   4.147  -1.310
  466    H    GLU  81           HN       GLU  81 -13.550   6.478   0.726
  467    HA   GLU  81           HA       GLU  81 -16.005   7.036  -0.384
  468    HB2  GLU  81           HB2      GLU  81 -14.723   8.595   1.865
  469    HB3  GLU  81           HB3      GLU  81 -16.444   8.428   1.553
  470    HG2  GLU  81           HG2      GLU  81 -14.547   6.259   2.412
  471    HG3  GLU  81           HG3      GLU  81 -15.813   7.008   3.379
  472    H    ASN  82           HN       ASN  82 -13.413   9.355   0.269
  473    HA   ASN  82           HA       ASN  82 -14.676  11.653  -0.765
  474    HB2  ASN  82           HB2      ASN  82 -11.693  11.195  -0.602
  475    HB3  ASN  82           HB3      ASN  82 -12.554  12.728  -0.501
  476   HD21  ASN  82          HD21      ASN  82 -13.618  13.272   1.400
  477   HD22  ASN  82          HD22      ASN  82 -13.262  12.477   2.899
  478    H    PHE  83           HN       PHE  83 -12.724   9.180  -2.102
  479    HA   PHE  83           HA       PHE  83 -11.795  10.322  -4.484
  480    HD1  PHE  83           HD2      PHE  83 -12.768   7.395  -6.500
  481    HD2  PHE  83           HD1      PHE  83  -9.061   8.158  -4.553
  482    HE1  PHE  83           HE2      PHE  83 -11.569   6.831  -8.570
  483    HE2  PHE  83           HE1      PHE  83  -7.859   7.606  -6.629
  484    HZ   PHE  83           HZ       PHE  83  -9.056   6.756  -8.548
  485    HB2  PHE  83           HB2      PHE  83 -11.030   8.203  -3.324
  486    HB3  PHE  83           HB3      PHE  83 -12.472   7.419  -3.937
  487    H    GLU  84           HN       GLU  84 -14.790   8.895  -3.532
  488    HA   GLU  84           HA       GLU  84 -15.783   8.740  -6.289
  489    HB2  GLU  84           HB2      GLU  84 -16.689   7.443  -3.709
  490    HB3  GLU  84           HB3      GLU  84 -17.503   7.244  -5.256
  491    HG2  GLU  84           HG2      GLU  84 -15.603   6.155  -6.200
  492    HG3  GLU  84           HG3      GLU  84 -14.619   6.529  -4.790
  493    H    ASP  85           HN       ASP  85 -15.891  10.623  -3.557
  494    HA   ASP  85           HA       ASP  85 -18.679  11.461  -3.785
  495    HB2  ASP  85           HB2      ASP  85 -17.862  10.991  -1.555
  496    HB3  ASP  85           HB3      ASP  85 -16.518  12.106  -1.772
  497    H    VAL  86           HN       VAL  86 -15.552  13.148  -3.414
  498    HA   VAL  86           HA       VAL  86 -16.722  15.460  -4.748
  499    HB   VAL  86           HB       VAL  86 -14.006  15.130  -3.457
  500   HG11  VAL  86          HG11      VAL  86 -13.960  16.809  -5.233
  501   HG12  VAL  86          HG12      VAL  86 -15.353  17.617  -4.511
  502   HG13  VAL  86          HG13      VAL  86 -13.817  17.558  -3.644
  503   HG21  VAL  86          HG23      VAL  86 -14.912  16.537  -1.685
  504   HG22  VAL  86          HG21      VAL  86 -16.475  16.574  -2.506
  505   HG23  VAL  86          HG22      VAL  86 -15.855  15.057  -1.862
  506    H    GLY  87           HN       GLY  87 -14.391  12.936  -5.260
  507    HA2  GLY  87           HA1      GLY  87 -14.163  12.195  -7.577
  508    HA3  GLY  87           HA2      GLY  87 -14.077  13.889  -8.034
  509    H    HIS  88           HN       HIS  88 -12.242  11.598  -8.446
  510    HA   HIS  88           HA       HIS  88  -9.821  13.011  -7.642
  511    HD1  HIS  88           HD1      HIS  88  -7.412   9.526  -6.508
  512    HD2  HIS  88           HD2      HIS  88  -8.860  13.220  -5.226
  513    HE1  HIS  88           HE1      HIS  88  -5.641  10.496  -4.976
  514    HB2  HIS  88           HB2      HIS  88 -10.593  10.810  -6.230
  515    HB3  HIS  88           HB3      HIS  88  -9.638  10.056  -7.498
  516    H    SER  89           HN       SER  89  -8.994  13.524  -9.641
  517    HA   SER  89           HA       SER  89 -10.051  12.130 -11.896
  518    HG   SER  89           HG       SER  89  -7.799  15.466 -11.819
  519    HB2  SER  89           HB2      SER  89  -8.466  13.862 -13.091
  520    HB3  SER  89           HB3      SER  89  -9.966  14.368 -12.315
  521    H    THR  90           HN       THR  90  -8.416  11.917 -13.856
  522    HA   THR  90           HA       THR  90  -7.258   9.446 -13.495
  523    HB   THR  90           HB       THR  90  -5.995  10.888 -15.655
  524    HG1  THR  90           HG1      THR  90  -8.377  11.121 -16.543
  525   HG21  THR  90          HG23      THR  90  -6.369   8.491 -15.684
  526   HG22  THR  90          HG21      THR  90  -7.281   9.243 -16.994
  527   HG23  THR  90          HG22      THR  90  -8.106   8.733 -15.522
  528    H    ASP  91           HN       ASP  91  -5.656  12.606 -13.463
  529    HA   ASP  91           HA       ASP  91  -3.017  11.931 -13.689
  530    HB2  ASP  91           HB2      ASP  91  -3.812  14.228 -13.547
  531    HB3  ASP  91           HB3      ASP  91  -4.222  14.002 -11.850
  532    H    ALA  92           HN       ALA  92  -4.935  11.904 -10.720
  533    HA   ALA  92           HA       ALA  92  -2.723  11.315  -9.014
  534    HB1  ALA  92           HB3      ALA  92  -4.675  12.580  -8.249
  535    HB2  ALA  92           HB1      ALA  92  -5.682  11.145  -8.457
  536    HB3  ALA  92           HB2      ALA  92  -4.393  11.151  -7.251
  537    H    ARG  93           HN       ARG  93  -4.058   9.388 -11.223
  538    HA   ARG  93           HA       ARG  93  -3.930   6.954  -9.576
  539    HE   ARG  93           HE       ARG  93  -8.617   8.601 -10.761
  540    HB2  ARG  93           HB2      ARG  93  -4.883   7.319 -12.424
  541    HB3  ARG  93           HB3      ARG  93  -5.069   5.873 -11.437
  542    HG2  ARG  93           HG2      ARG  93  -6.609   6.956  -9.987
  543    HG3  ARG  93           HG3      ARG  93  -6.265   8.530 -10.703
  544    HD2  ARG  93           HD2      ARG  93  -7.140   7.597 -12.872
  545    HD3  ARG  93           HD3      ARG  93  -7.698   6.198 -11.951
  546   HH11  ARG  93          HH12      ARG  93  -9.188   6.508 -13.496
  547   HH12  ARG  93          HH11      ARG  93 -10.854   6.981 -13.671
  548   HH21  ARG  93          HH22      ARG  93 -10.806   9.220 -10.962
  549   HH22  ARG  93          HH21      ARG  93 -11.782   8.509 -12.217
  550    H    GLU  94           HN       GLU  94  -2.140   8.872 -11.614
  551    HA   GLU  94           HA       GLU  94  -0.368   6.673 -12.495
  552    HB2  GLU  94           HB2      GLU  94  -1.764   8.107 -14.184
  553    HB3  GLU  94           HB3      GLU  94  -0.584   9.360 -13.841
  554    HG2  GLU  94           HG2      GLU  94   1.194   8.004 -14.674
  555    HG3  GLU  94           HG3      GLU  94   0.120   6.610 -14.822
  556    H    MET  95           HN       MET  95  -0.800   9.607 -10.866
  557    HA   MET  95           HA       MET  95   1.979  10.356 -10.595
  558    HB2  MET  95           HB2      MET  95   0.266  12.056 -10.795
  559    HB3  MET  95           HB3      MET  95  -0.613  11.390  -9.436
  560    HG2  MET  95           HG2      MET  95   0.453  13.376  -8.728
  561    HG3  MET  95           HG3      MET  95   1.273  12.021  -7.963
  562    HE1  MET  95           HE3      MET  95   3.247  13.782  -7.312
  563    HE2  MET  95           HE1      MET  95   4.010  14.826  -8.510
  564    HE3  MET  95           HE2      MET  95   2.301  15.025  -8.127
  565    H    SER  96           HN       SER  96  -0.309   8.395  -8.906
  566    HA   SER  96           HA       SER  96   0.725   9.041  -6.293
  567    HG   SER  96           HG       SER  96  -2.632   7.272  -7.511
  568    HB2  SER  96           HB2      SER  96  -1.087   7.511  -5.481
  569    HB3  SER  96           HB3      SER  96  -1.657   8.839  -6.491
  570    H    LYS  97           HN       LYS  97   1.867   7.214  -8.627
  571    HA   LYS  97           HA       LYS  97   1.854   4.520  -7.892
  572    HB2  LYS  97           HB2      LYS  97   3.786   6.067  -9.612
  573    HB3  LYS  97           HB3      LYS  97   3.687   4.312  -9.557
  574    HG2  LYS  97           HG2      LYS  97   1.317   6.001 -10.259
  575    HG3  LYS  97           HG3      LYS  97   2.519   5.537 -11.462
  576    HD2  LYS  97           HD2      LYS  97   1.148   3.509  -9.717
  577    HD3  LYS  97           HD3      LYS  97   0.447   4.065 -11.238
  578    HE2  LYS  97           HE2      LYS  97   2.471   3.365 -12.418
  579    HE3  LYS  97           HE3      LYS  97   3.154   2.781 -10.901
  580    HZ1  LYS  97           HZ3      LYS  97   1.321   1.208 -10.732
  581    HZ2  LYS  97           HZ1      LYS  97   2.190   0.981 -12.170
  582    HZ3  LYS  97           HZ2      LYS  97   0.688   1.763 -12.204
  583    H    THR  98           HN       THR  98   4.002   7.059  -6.967
  584    HA   THR  98           HA       THR  98   6.087   5.226  -6.085
  585    HB   THR  98           HB       THR  98   7.236   7.462  -5.525
  586    HG1  THR  98           HG1      THR  98   6.042   9.168  -5.813
  587   HG21  THR  98          HG23      THR  98   6.532   6.754  -8.374
  588   HG22  THR  98          HG21      THR  98   7.969   6.271  -7.473
  589   HG23  THR  98          HG22      THR  98   7.741   7.959  -7.932
  590    H    PHE  99           HN       PHE  99   3.286   6.333  -4.808
  591    HA   PHE  99           HA       PHE  99   4.395   6.733  -2.115
  592    HD1  PHE  99           HD1      PHE  99   4.298   9.173  -1.512
  593    HD2  PHE  99           HD2      PHE  99   1.566   8.839  -4.753
  594    HE1  PHE  99           HE1      PHE  99   5.082  11.330  -2.384
  595    HE2  PHE  99           HE2      PHE  99   2.342  11.003  -5.636
  596    HZ   PHE  99           HZ       PHE  99   4.109  12.250  -4.452
  597    HB2  PHE  99           HB2      PHE  99   1.555   7.223  -3.064
  598    HB3  PHE  99           HB3      PHE  99   2.231   7.645  -1.490
  599    H    ILE 100           HN       ILE 100   3.094   4.386  -4.065
  600    HA   ILE 100           HA       ILE 100   1.479   2.992  -2.155
  601    HB   ILE 100           HB       ILE 100   2.660   1.989  -4.753
  602   HG12  ILE 100          HG12      ILE 100  -0.064   3.148  -4.137
  603   HG13  ILE 100          HG13      ILE 100   1.209   3.959  -5.035
  604   HG21  ILE 100          HG21      ILE 100   2.001   0.191  -3.226
  605   HG22  ILE 100          HG22      ILE 100   0.400   0.907  -3.069
  606   HG23  ILE 100          HG23      ILE 100   0.929   0.265  -4.623
  607   HD11  ILE 100          HD13      ILE 100   1.050   2.284  -6.789
  608   HD12  ILE 100          HD11      ILE 100  -0.206   1.443  -5.880
  609   HD13  ILE 100          HD12      ILE 100  -0.505   3.063  -6.505
  610    H    ILE 101           HN       ILE 101   2.491   2.160  -0.394
  611    HA   ILE 101           HA       ILE 101   5.237   1.250  -0.606
  612    HB   ILE 101           HB       ILE 101   4.995   0.837   1.878
  613   HG12  ILE 101          HG12      ILE 101   2.406   2.355   1.476
  614   HG13  ILE 101          HG13      ILE 101   2.523   0.647   1.898
  615   HG21  ILE 101          HG21      ILE 101   6.102   2.803   1.071
  616   HG22  ILE 101          HG22      ILE 101   4.563   3.603   0.761
  617   HG23  ILE 101          HG23      ILE 101   5.062   3.267   2.417
  618   HD11  ILE 101          HD13      ILE 101   3.563   2.922   3.577
  619   HD12  ILE 101          HD11      ILE 101   2.031   2.087   3.829
  620   HD13  ILE 101          HD12      ILE 101   3.550   1.212   4.009
  621    H    GLY 102           HN       GLY 102   2.091  -0.129  -0.648
  622    HA2  GLY 102           HA1      GLY 102   2.851  -2.595  -1.550
  623    HA3  GLY 102           HA2      GLY 102   2.903  -2.753   0.199
  624    H    GLU 103           HN       GLU 103   1.200  -4.280   0.171
  625    HA   GLU 103           HA       GLU 103  -1.407  -2.953  -0.092
  626    HB2  GLU 103           HB2      GLU 103  -0.671  -5.728  -0.978
  627    HB3  GLU 103           HB3      GLU 103  -2.328  -5.325  -0.537
  628    HG2  GLU 103           HG2      GLU 103  -2.226  -3.462  -2.184
  629    HG3  GLU 103           HG3      GLU 103  -0.666  -4.090  -2.707
  630    H    LEU 104           HN       LEU 104  -3.057  -4.705   1.026
  631    HA   LEU 104           HA       LEU 104  -2.332  -4.451   3.794
  632    HG   LEU 104           HG       LEU 104  -5.890  -4.085   4.411
  633    HB2  LEU 104           HB2      LEU 104  -4.688  -4.409   2.359
  634    HB3  LEU 104           HB3      LEU 104  -4.764  -5.933   3.224
  635   HD11  LEU 104          HD11      LEU 104  -4.810  -4.396   6.605
  636   HD12  LEU 104          HD12      LEU 104  -5.065  -5.913   5.745
  637   HD13  LEU 104          HD13      LEU 104  -3.457  -5.193   5.805
  638   HD21  LEU 104          HD23      LEU 104  -3.123  -2.910   4.564
  639   HD22  LEU 104          HD21      LEU 104  -4.495  -2.260   3.664
  640   HD23  LEU 104          HD22      LEU 104  -4.540  -2.319   5.427
  641    H    HIS 105           HN       HIS 105  -2.142  -6.115   5.304
  642    HA   HIS 105           HA       HIS 105  -1.216  -8.660   4.660
  643    HD1  HIS 105           HD1      HIS 105  -2.741 -10.304   8.337
  644    HD2  HIS 105           HD2      HIS 105   0.853  -9.199   6.549
  645    HE1  HIS 105           HE1      HIS 105  -1.044 -11.998   9.105
  646    HE2  HIS 105           HE2      HIS 105   1.157 -11.148   8.225
  647    HB2  HIS 105           HB2      HIS 105  -1.464  -7.310   6.934
  648    HB3  HIS 105           HB3      HIS 105  -2.959  -8.224   7.061
  649    HA   PRO 106           HA       PRO 106  -4.609 -10.926   2.964
  650    HB2  PRO 106           HB2      PRO 106  -3.961 -13.083   4.919
  651    HB3  PRO 106           HB3      PRO 106  -4.101 -13.159   3.160
  652    HG2  PRO 106           HG2      PRO 106  -1.715 -13.186   4.278
  653    HG3  PRO 106           HG3      PRO 106  -2.003 -12.207   2.824
  654    HD2  PRO 106           HD2      PRO 106  -1.836 -11.339   5.689
  655    HD3  PRO 106           HD3      PRO 106  -1.144 -10.577   4.240
  656    H    ASP 107           HN       ASP 107  -4.988  -9.553   5.804
  657    HA   ASP 107           HA       ASP 107  -7.122 -11.149   6.963
  658    HB2  ASP 107           HB2      ASP 107  -6.324  -8.404   7.912
  659    HB3  ASP 107           HB3      ASP 107  -6.973  -9.750   8.841
  660    H    ASP 108           HN       ASP 108  -6.714  -8.735   4.704
  661    HA   ASP 108           HA       ASP 108  -9.517  -7.898   4.818
  662    HB2  ASP 108           HB2      ASP 108  -8.225  -6.229   6.098
  663    HB3  ASP 108           HB3      ASP 108  -7.157  -5.992   4.719
  664    H    ARG 109           HN       ARG 109  -6.449  -7.785   3.188
  665    HA   ARG 109           HA       ARG 109  -7.057  -6.684   0.767
  666    HE   ARG 109           HE       ARG 109  -6.232  -8.757  -1.655
  667    HB2  ARG 109           HB2      ARG 109  -4.812  -7.490   1.877
  668    HB3  ARG 109           HB3      ARG 109  -5.085  -8.907   0.879
  669    HG2  ARG 109           HG2      ARG 109  -5.412  -6.455  -0.626
  670    HG3  ARG 109           HG3      ARG 109  -3.815  -6.579   0.116
  671    HD2  ARG 109           HD2      ARG 109  -3.532  -7.625  -1.936
  672    HD3  ARG 109           HD3      ARG 109  -3.803  -8.975  -0.822
  673   HH11  ARG 109          HH12      ARG 109  -3.428  -7.998  -3.589
  674   HH12  ARG 109          HH11      ARG 109  -4.157  -8.498  -5.087
  675   HH21  ARG 109          HH22      ARG 109  -7.227  -9.362  -3.619
  676   HH22  ARG 109          HH21      ARG 109  -6.352  -9.223  -5.107
  677    HA   PRO 110           HA       PRO 110  -8.100 -10.908  -1.197
  678    HB2  PRO 110           HB2      PRO 110  -8.727 -12.792   0.943
  679    HB3  PRO 110           HB3      PRO 110  -7.597 -12.970  -0.404
  680    HG2  PRO 110           HG2      PRO 110  -6.768 -12.706   2.160
  681    HG3  PRO 110           HG3      PRO 110  -5.833 -12.084   0.787
  682    HD2  PRO 110           HD2      PRO 110  -7.667 -10.611   2.656
  683    HD3  PRO 110           HD3      PRO 110  -6.065 -10.137   2.053
  684    H    LYS 111           HN       LYS 111  -9.676 -10.181   1.870
  685    HA   LYS 111           HA       LYS 111 -11.801  -9.628   2.407
  686    HB2  LYS 111           HB2      LYS 111 -11.782  -9.152  -0.528
  687    HB3  LYS 111           HB3      LYS 111 -13.332  -9.138   0.303
  688    HG2  LYS 111           HG2      LYS 111 -11.102  -7.543   1.451
  689    HG3  LYS 111           HG3      LYS 111 -11.924  -6.942   0.001
  690    HD2  LYS 111           HD2      LYS 111 -13.384  -7.807   2.489
  691    HD3  LYS 111           HD3      LYS 111 -12.850  -6.145   2.221
  692    HE2  LYS 111           HE2      LYS 111 -14.186  -6.052   0.172
  693    HE3  LYS 111           HE3      LYS 111 -14.707  -7.717   0.429
  694    HZ1  LYS 111           HZ3      LYS 111 -16.378  -6.155   1.170
  695    HZ2  LYS 111           HZ1      LYS 111 -15.278  -5.425   2.232
  696    HZ3  LYS 111           HZ2      LYS 111 -15.766  -7.023   2.489
  697    H    LEU 112           HN       LEU 112 -12.290 -11.593  -0.550
  698    HA   LEU 112           HA       LEU 112 -14.440 -12.960   0.939
  699    HG   LEU 112           HG       LEU 112 -13.391 -12.744  -2.614
  700    HB2  LEU 112           HB2      LEU 112 -15.597 -13.259  -1.217
  701    HB3  LEU 112           HB3      LEU 112 -15.413 -11.581  -0.756
  702   HD11  LEU 112          HD11      LEU 112 -15.495 -13.564  -3.525
  703   HD12  LEU 112          HD12      LEU 112 -16.187 -11.942  -3.424
  704   HD13  LEU 112          HD13      LEU 112 -14.845 -12.264  -4.528
  705   HD21  LEU 112          HD23      LEU 112 -14.802 -10.077  -2.515
  706   HD22  LEU 112          HD21      LEU 112 -13.238 -10.416  -1.774
  707   HD23  LEU 112          HD22      LEU 112 -13.422 -10.504  -3.525
  708    H    ASN 113           HN       ASN 113 -11.633 -13.408  -1.046
  709    HA   ASN 113           HA       ASN 113 -12.274 -16.262  -1.381
  710    HB2  ASN 113           HB2      ASN 113 -10.619 -16.297  -3.153
  711    HB3  ASN 113           HB3      ASN 113 -11.746 -14.979  -3.437
  712   HD21  ASN 113          HD21      ASN 113  -8.498 -15.871  -2.760
  713   HD22  ASN 113          HD22      ASN 113  -7.805 -14.296  -2.910
  714    H    LYS 114           HN       LYS 114 -11.311 -15.031   1.094
  715    HA   LYS 114           HA       LYS 114  -8.514 -15.729   1.339
  716    HB2  LYS 114           HB2      LYS 114  -9.322 -13.731   2.464
  717    HB3  LYS 114           HB3      LYS 114 -10.514 -14.674   3.346
  718    HG2  LYS 114           HG2      LYS 114  -8.535 -15.940   4.335
  719    HG3  LYS 114           HG3      LYS 114  -7.534 -14.642   3.681
  720    HD2  LYS 114           HD2      LYS 114  -8.900 -13.010   4.935
  721    HD3  LYS 114           HD3      LYS 114  -9.807 -14.349   5.642
  722    HE2  LYS 114           HE2      LYS 114  -6.843 -13.864   5.934
  723    HE3  LYS 114           HE3      LYS 114  -8.066 -13.554   7.163
  724    HZ1  LYS 114           HZ3      LYS 114  -7.852 -16.248   6.022
  725    HZ2  LYS 114           HZ1      LYS 114  -8.364 -15.770   7.568
  726    HZ3  LYS 114           HZ2      LYS 114  -6.710 -15.760   7.177
  727    HA   PRO 115           HA       PRO 115  -9.184 -19.951   2.700
  728    HB2  PRO 115           HB2      PRO 115  -6.695 -20.015   3.966
  729    HB3  PRO 115           HB3      PRO 115  -7.024 -20.503   2.302
  730    HG2  PRO 115           HG2      PRO 115  -5.941 -17.923   3.344
  731    HG3  PRO 115           HG3      PRO 115  -5.515 -18.811   1.867
  732    HD2  PRO 115           HD2      PRO 115  -7.064 -16.637   1.759
  733    HD3  PRO 115           HD3      PRO 115  -7.387 -18.042   0.719
  734    HA   PRO 116           HA       PRO 116 -10.532 -19.293   6.840
  735    HB2  PRO 116           HB2      PRO 116 -10.860 -21.846   7.624
  736    HB3  PRO 116           HB3      PRO 116 -11.908 -21.088   6.417
  737    HG2  PRO 116           HG2      PRO 116  -9.572 -22.926   6.016
  738    HG3  PRO 116           HG3      PRO 116 -11.155 -22.937   5.215
  739    HD2  PRO 116           HD2      PRO 116  -8.922 -21.865   4.083
  740    HD3  PRO 116           HD3      PRO 116 -10.562 -21.275   3.745
  741    H    GLU 117           HN       GLU 117  -7.516 -20.466   6.121
  742    HA   GLU 117           HA       GLU 117  -5.551 -20.609   7.232
  743    HB2  GLU 117           HB2      GLU 117  -6.960 -19.635   9.713
  744    HB3  GLU 117           HB3      GLU 117  -5.255 -19.491   9.317
  745    HG2  GLU 117           HG2      GLU 117  -7.484 -18.120   7.839
  746    HG3  GLU 117           HG3      GLU 117  -6.516 -17.383   9.110
  747    H    THR 118           HN       THR 118  -7.739 -21.304   9.941
  748    HA   THR 118           HA       THR 118  -6.276 -23.811  10.366
  749    HB   THR 118           HB       THR 118  -7.422 -23.726  12.639
  750    HG1  THR 118           HG1      THR 118  -8.935 -22.007  11.702
  751   HG21  THR 118          HG23      THR 118  -5.536 -21.495  11.868
  752   HG22  THR 118          HG21      THR 118  -5.085 -23.122  12.366
  753   HG23  THR 118          HG22      THR 118  -5.850 -22.029  13.517
  754    H    LEU 119           HN       LEU 119  -7.209 -25.620   9.726
  755    HA   LEU 119           HA       LEU 119  -9.874 -25.765   8.779
  756    HG   LEU 119           HG       LEU 119  -8.769 -26.728   6.796
  757    HB2  LEU 119           HB2      LEU 119  -7.852 -27.919   9.408
  758    HB3  LEU 119           HB3      LEU 119  -9.427 -28.259   8.726
  759   HD11  LEU 119          HD11      LEU 119  -6.078 -27.060   8.104
  760   HD12  LEU 119          HD12      LEU 119  -6.311 -26.545   6.431
  761   HD13  LEU 119          HD13      LEU 119  -6.926 -25.553   7.751
  762   HD21  LEU 119          HD23      LEU 119  -8.856 -29.113   6.515
  763   HD22  LEU 119          HD21      LEU 119  -7.417 -28.492   5.711
  764   HD23  LEU 119          HD22      LEU 119  -7.275 -29.300   7.269
  765    H    ILE 120           HN       ILE 120  -8.284 -27.105  11.650
  766    HA   ILE 120           HA       ILE 120 -10.726 -26.717  13.147
  767    HB   ILE 120           HB       ILE 120 -11.037 -28.998  12.380
  768   HG12  ILE 120          HG12      ILE 120 -10.147 -28.985  15.275
  769   HG13  ILE 120          HG13      ILE 120 -11.690 -28.371  14.699
  770   HG21  ILE 120          HG21      ILE 120  -9.469 -30.787  12.886
  771   HG22  ILE 120          HG22      ILE 120  -8.692 -29.540  11.907
  772   HG23  ILE 120          HG23      ILE 120  -8.367 -29.630  13.638
  773   HD11  ILE 120          HD13      ILE 120 -12.284 -30.623  13.930
  774   HD12  ILE 120          HD11      ILE 120 -10.745 -31.227  14.550
  775   HD13  ILE 120          HD12      ILE 120 -11.948 -30.570  15.660
  776    H    THR 121           HN       THR 121 -10.169 -25.692  14.932
  777    HA   THR 121           HA       THR 121  -7.655 -26.346  16.283
  778    HB   THR 121           HB       THR 121  -7.227 -24.342  14.861
  779    HG1  THR 121           HG1      THR 121  -7.177 -23.121  17.315
  780   HG21  THR 121          HG23      THR 121  -9.488 -23.409  14.845
  781   HG22  THR 121          HG21      THR 121  -8.314 -22.214  15.392
  782   HG23  THR 121          HG22      THR 121  -9.349 -23.030  16.562
  783    H    THR 122           HN       THR 122  -7.724 -24.899  18.478
  784    HA   THR 122           HA       THR 122  -8.716 -24.669  20.521
  785    HB   THR 122           HB       THR 122 -11.396 -24.507  19.123
  786    HG1  THR 122           HG1      THR 122  -9.721 -22.260  19.487
  787   HG21  THR 122          HG23      THR 122 -11.891 -22.854  20.872
  788   HG22  THR 122          HG21      THR 122 -10.273 -23.069  21.537
  789   HG23  THR 122          HG22      THR 122 -11.425 -24.403  21.576
  790    H    ILE 123           HN       ILE 123 -11.263 -25.677  21.405
  791    HA   ILE 123           HA       ILE 123 -10.921 -28.548  20.887
  792    HB   ILE 123           HB       ILE 123 -10.515 -28.070  23.218
  793   HG12  ILE 123          HG12      ILE 123 -13.286 -29.252  22.937
  794   HG13  ILE 123          HG13      ILE 123 -11.791 -30.130  22.642
  795   HG21  ILE 123          HG21      ILE 123 -11.640 -25.938  23.400
  796   HG22  ILE 123          HG22      ILE 123 -13.208 -26.724  23.249
  797   HG23  ILE 123          HG23      ILE 123 -12.201 -27.032  24.664
  798   HD11  ILE 123          HD13      ILE 123 -11.145 -29.817  24.975
  799   HD12  ILE 123          HD11      ILE 123 -12.641 -28.931  25.268
  800   HD13  ILE 123          HD12      ILE 123 -12.698 -30.642  24.837
  801    H    ASP 124           HN       ASP 124 -12.538 -29.620  19.991
  802    HA   ASP 124           HA       ASP 124 -14.558 -30.166  19.113
  803    HB2  ASP 124           HB2      ASP 124 -15.590 -29.327  21.229
  804    HB3  ASP 124           HB3      ASP 124 -15.722 -27.736  20.484
  805    H    SER 125           HN       SER 125 -14.678 -26.592  19.151
  806    HA   SER 125           HA       SER 125 -14.507 -26.638  16.226
  807    HG   SER 125           HG       SER 125 -17.124 -27.320  17.608
  808    HB2  SER 125           HB2      SER 125 -16.608 -25.108  17.778
  809    HB3  SER 125           HB3      SER 125 -16.376 -25.063  16.031
  810    H    SER 126           HN       SER 126 -13.906 -24.548  15.279
  811    HA   SER 126           HA       SER 126 -11.812 -23.262  16.592
  812    HG   SER 126           HG       SER 126 -14.117 -22.802  13.519
  813    HB2  SER 126           HB2      SER 126 -12.909 -21.489  14.661
  814    HB3  SER 126           HB3      SER 126 -11.551 -22.599  14.461
  815    H    SER 127           HN       SER 127 -15.044 -22.006  15.895
  816    HA   SER 127           HA       SER 127 -15.477 -20.787  18.394
  817    HG   SER 127           HG       SER 127 -15.897 -17.563  17.443
  818    HB2  SER 127           HB2      SER 127 -13.722 -19.207  17.473
  819    HB3  SER 127           HB3      SER 127 -14.832 -18.836  16.156
  820    H    SER 128           HN       SER 128 -15.994 -20.409  14.922
  821    HA   SER 128           HA       SER 128 -18.672 -21.480  15.298
  822    HG   SER 128           HG       SER 128 -17.610 -19.296  12.655
  823    HB2  SER 128           HB2      SER 128 -19.601 -19.858  13.661
  824    HB3  SER 128           HB3      SER 128 -19.010 -19.055  15.116
  825    HHA  HEM 129           HHA      HEM 129  -6.727  17.004  -6.217
  826    HHB  HEM 129           HHB      HEM 129  -2.064  12.563  -5.888
  827    HHC  HEM 129           HHC      HEM 129  -4.937   9.985  -0.770
  828    HHD  HEM 129           HHD      HEM 129  -9.448  14.601  -0.892
  829    HAB  HEM 129           HAB      HEM 129  -2.140   8.943  -1.248
  830    HAC  HEM 129           HAC      HEM 129 -10.064  13.066   0.764
  831   HMA1  HEM 129          HMA1      HEM 129  -2.291  15.351  -8.566
  832   HMA2  HEM 129          HMA2      HEM 129  -1.338  14.905  -7.148
  833   HMA3  HEM 129          HMA3      HEM 129  -2.118  13.656  -8.127
  834   HAA1  HEM 129          HAA1      HEM 129  -4.153  17.500  -8.091
  835   HAA2  HEM 129          HAA2      HEM 129  -4.090  16.148  -8.725
  836   HBA1  HEM 129          HBA1      HEM 129  -6.141  17.355  -9.552
  837   HBA2  HEM 129          HBA2      HEM 129  -6.751  15.934  -8.681
  838   HMB1  HEM 129          HMB1      HEM 129  -0.127  10.948  -3.666
  839   HMB2  HEM 129          HMB2      HEM 129  -0.911  10.109  -5.156
  840   HMB3  HEM 129          HMB3      HEM 129  -0.974   9.720  -3.683
  841   HBB1  HEM 129          HBB1      HEM 129  -4.075   7.870  -3.338
  842   HBB2  HEM 129          HBB2      HEM 129  -2.901   6.908  -2.244
  843   HMC1  HEM 129          HMC1      HEM 129  -6.978  10.776   2.159
  844   HMC2  HEM 129          HMC2      HEM 129  -7.585   9.591   0.994
  845   HMC3  HEM 129          HMC3      HEM 129  -5.833   9.991   1.095
  846   HBC1  HEM 129          HBC1      HEM 129  -9.884  12.553   3.067
  847   HBC2  HEM 129          HBC2      HEM 129  -8.160  11.913   2.860
  848   HMD1  HEM 129          HMD1      HEM 129 -10.634  16.314  -1.387
  849   HMD2  HEM 129          HMD2      HEM 129 -10.880  17.627  -2.701
  850   HMD3  HEM 129          HMD3      HEM 129  -9.672  17.406  -1.815
  851   HAD1  HEM 129          HAD1      HEM 129  -8.949  18.748  -4.992
  852   HAD2  HEM 129          HAD2      HEM 129  -8.350  17.636  -5.819
  853   HBD1  HEM 129          HBD1      HEM 129 -10.711  18.275  -6.614
  854   HBD2  HEM 129          HBD2      HEM 129 -10.773  16.569  -6.129
  Start of MODEL   14
    1    HA   MET  21           HA       MET  21   9.746  -0.200 -14.103
    2    H1   MET  21           1H       MET  21  11.809   1.499 -12.916
    3    HB2  MET  21           HB2      MET  21  12.685  -0.888 -14.021
    4    HB3  MET  21           HB3      MET  21  11.449  -2.127 -14.085
    5    HG2  MET  21           HG2      MET  21  11.751   0.041 -16.138
    6    HG3  MET  21           HG3      MET  21  12.469  -1.566 -16.274
    7    HE1  MET  21           HE3      MET  21   9.286  -3.858 -16.425
    8    HE2  MET  21           HE1      MET  21  11.049  -3.807 -16.453
    9    HE3  MET  21           HE2      MET  21  10.180  -3.392 -14.978
   10    H    ALA  22           HN       ALA  22  10.658   1.243 -11.542
   11    HA   ALA  22           HA       ALA  22  10.602   0.995  -9.309
   12    HB1  ALA  22           HB3      ALA  22   9.233  -1.621  -9.908
   13    HB2  ALA  22           HB1      ALA  22   9.323  -0.860  -8.318
   14    HB3  ALA  22           HB2      ALA  22   8.456  -0.063  -9.631
   15    H    GLU  23           HN       GLU  23  11.081  -2.466 -10.001
   16    HA   GLU  23           HA       GLU  23  13.879  -2.295  -9.389
   17    HB2  GLU  23           HB2      GLU  23  12.788  -2.201  -7.139
   18    HB3  GLU  23           HB3      GLU  23  12.089  -3.778  -7.458
   19    HG2  GLU  23           HG2      GLU  23  14.016  -3.964  -6.027
   20    HG3  GLU  23           HG3      GLU  23  14.336  -4.738  -7.575
   21    H    GLN  24           HN       GLN  24  14.927  -4.476  -9.558
   22    HA   GLN  24           HA       GLN  24  14.035  -5.865 -11.790
   23    HB2  GLN  24           HB2      GLN  24  15.957  -6.642  -9.614
   24    HB3  GLN  24           HB3      GLN  24  15.596  -7.724 -10.946
   25    HG2  GLN  24           HG2      GLN  24  17.597  -6.621 -11.489
   26    HG3  GLN  24           HG3      GLN  24  16.339  -5.900 -12.486
   27   HE21  GLN  24          HE21      GLN  24  18.412  -5.437  -9.730
   28   HE22  GLN  24          HE22      GLN  24  18.284  -3.716  -9.674
   29    H    SER  25           HN       SER  25  13.871  -6.943  -8.393
   30    HA   SER  25           HA       SER  25  12.501  -9.348  -9.132
   31    HG   SER  25           HG       SER  25  14.694 -10.221  -7.565
   32    HB2  SER  25           HB2      SER  25  13.092  -8.281  -6.364
   33    HB3  SER  25           HB3      SER  25  12.724  -9.947  -6.809
   34    H    ASP  26           HN       ASP  26  10.761  -7.760 -10.070
   35    HA   ASP  26           HA       ASP  26   8.537  -7.362 -10.126
   36    HB2  ASP  26           HB2      ASP  26   8.725  -9.151  -7.808
   37    HB3  ASP  26           HB3      ASP  26   7.338  -8.062  -7.774
   38    H    GLU  27           HN       GLU  27   6.696  -6.388  -8.479
   39    HA   GLU  27           HA       GLU  27   7.721  -3.767  -7.861
   40    HB2  GLU  27           HB2      GLU  27   4.957  -4.861  -7.324
   41    HB3  GLU  27           HB3      GLU  27   5.439  -3.172  -7.329
   42    HG2  GLU  27           HG2      GLU  27   5.807  -3.204  -9.689
   43    HG3  GLU  27           HG3      GLU  27   5.585  -4.950  -9.759
   44    H    ALA  28           HN       ALA  28   7.426  -6.663  -6.279
   45    HA   ALA  28           HA       ALA  28   7.933  -7.427  -4.227
   46    HB1  ALA  28           HB3      ALA  28   8.781  -4.606  -3.590
   47    HB2  ALA  28           HB1      ALA  28   9.220  -6.065  -2.701
   48    HB3  ALA  28           HB2      ALA  28   9.808  -5.824  -4.350
   49    H    VAL  29           HN       VAL  29   5.422  -7.430  -4.367
   50    HA   VAL  29           HA       VAL  29   3.976  -5.647  -2.787
   51    HB   VAL  29           HB       VAL  29   2.650  -6.935  -4.241
   52   HG11  VAL  29          HG11      VAL  29   4.091  -8.813  -4.645
   53   HG12  VAL  29          HG12      VAL  29   3.875  -9.388  -2.990
   54   HG13  VAL  29          HG13      VAL  29   2.516  -9.405  -4.112
   55   HG21  VAL  29          HG23      VAL  29   1.009  -7.983  -2.778
   56   HG22  VAL  29          HG21      VAL  29   2.200  -8.107  -1.490
   57   HG23  VAL  29          HG22      VAL  29   1.637  -6.520  -2.019
   58    H    LYS  30           HN       LYS  30   4.579  -5.252  -0.781
   59    HA   LYS  30           HA       LYS  30   5.150  -7.479   1.026
   60    HB2  LYS  30           HB2      LYS  30   5.574  -4.503   1.379
   61    HB3  LYS  30           HB3      LYS  30   5.958  -5.720   2.584
   62    HG2  LYS  30           HG2      LYS  30   7.651  -6.676   1.199
   63    HG3  LYS  30           HG3      LYS  30   7.176  -5.663  -0.166
   64    HD2  LYS  30           HD2      LYS  30   8.153  -4.522   2.442
   65    HD3  LYS  30           HD3      LYS  30   9.245  -4.951   1.125
   66    HE2  LYS  30           HE2      LYS  30   8.877  -2.713   0.730
   67    HE3  LYS  30           HE3      LYS  30   7.669  -3.462  -0.304
   68    HZ1  LYS  30           HZ3      LYS  30   6.057  -3.121   1.545
   69    HZ2  LYS  30           HZ1      LYS  30   6.616  -1.692   0.839
   70    HZ3  LYS  30           HZ2      LYS  30   7.220  -2.190   2.341
   71    H    TYR  31           HN       TYR  31   3.647  -8.140   2.459
   72    HA   TYR  31           HA       TYR  31   1.148  -6.662   2.581
   73    HD1  TYR  31           HD2      TYR  31  -0.455  -8.040   1.282
   74    HD2  TYR  31           HD1      TYR  31   2.415 -10.945   2.436
   75    HE1  TYR  31           HE2      TYR  31  -0.834  -9.224  -0.826
   76    HE2  TYR  31           HE1      TYR  31   2.054 -12.143   0.320
   77    HH   TYR  31           HH       TYR  31   0.309 -10.767  -2.281
   78    HB2  TYR  31           HB2      TYR  31   1.871  -9.281   3.929
   79    HB3  TYR  31           HB3      TYR  31   0.262  -8.580   3.796
   80    H    TYR  32           HN       TYR  32   0.329  -5.614   4.313
   81    HA   TYR  32           HA       TYR  32   2.012  -5.528   6.727
   82    HD1  TYR  32           HD2      TYR  32   1.479  -3.403   3.530
   83    HD2  TYR  32           HD1      TYR  32   3.087  -2.564   7.376
   84    HE1  TYR  32           HE2      TYR  32   3.413  -2.321   2.476
   85    HE2  TYR  32           HE1      TYR  32   5.027  -1.483   6.329
   86    HH   TYR  32           HH       TYR  32   6.212  -1.431   4.289
   87    HB2  TYR  32           HB2      TYR  32   0.079  -3.465   5.608
   88    HB3  TYR  32           HB3      TYR  32   0.869  -3.317   7.171
   89    H    THR  33           HN       THR  33  -0.022  -4.415   8.426
   90    HA   THR  33           HA       THR  33  -2.165  -6.406   8.245
   91    HB   THR  33           HB       THR  33  -2.130  -6.118  10.875
   92    HG1  THR  33           HG1      THR  33   0.347  -5.216  10.029
   93   HG21  THR  33          HG23      THR  33  -0.875  -8.229  11.000
   94   HG22  THR  33          HG21      THR  33  -0.314  -7.981   9.347
   95   HG23  THR  33          HG22      THR  33  -2.028  -8.244   9.664
   96    H    LEU  34           HN       LEU  34  -4.224  -5.684   8.867
   97    HA   LEU  34           HA       LEU  34  -4.766  -3.033   8.173
   98    HG   LEU  34           HG       LEU  34  -7.393  -2.671   9.889
   99    HB2  LEU  34           HB2      LEU  34  -6.436  -4.784   7.974
  100    HB3  LEU  34           HB3      LEU  34  -6.502  -4.998   9.707
  101   HD11  LEU  34          HD11      LEU  34  -6.471  -1.771   7.815
  102   HD12  LEU  34          HD12      LEU  34  -7.523  -2.834   6.883
  103   HD13  LEU  34          HD13      LEU  34  -8.219  -1.568   7.891
  104   HD21  LEU  34          HD23      LEU  34  -8.955  -4.490   9.947
  105   HD22  LEU  34          HD21      LEU  34  -9.628  -3.212   8.927
  106   HD23  LEU  34          HD22      LEU  34  -8.907  -4.638   8.188
  107    H    GLU  35           HN       GLU  35  -4.611  -4.564  11.333
  108    HA   GLU  35           HA       GLU  35  -5.453  -2.494  12.984
  109    HB2  GLU  35           HB2      GLU  35  -3.444  -4.684  13.565
  110    HB3  GLU  35           HB3      GLU  35  -4.209  -3.680  14.783
  111    HG2  GLU  35           HG2      GLU  35  -5.387  -5.675  14.841
  112    HG3  GLU  35           HG3      GLU  35  -6.413  -4.583  13.917
  113    H    GLU  36           HN       GLU  36  -2.528  -3.025  11.366
  114    HA   GLU  36           HA       GLU  36  -0.812  -1.571  13.163
  115    HB2  GLU  36           HB2      GLU  36   0.505  -3.162  12.290
  116    HB3  GLU  36           HB3      GLU  36  -0.637  -3.488  10.989
  117    HG2  GLU  36           HG2      GLU  36   0.332  -1.831   9.618
  118    HG3  GLU  36           HG3      GLU  36   1.337  -1.230  10.939
  119    H    ILE  37           HN       ILE  37  -2.498  -1.005  10.210
  120    HA   ILE  37           HA       ILE  37  -0.997   1.312   9.430
  121    HB   ILE  37           HB       ILE  37  -3.683   0.287   8.473
  122   HG12  ILE  37          HG12      ILE  37  -0.929   0.004   7.229
  123   HG13  ILE  37          HG13      ILE  37  -1.709  -1.250   8.187
  124   HG21  ILE  37          HG21      ILE  37  -3.313   1.678   6.503
  125   HG22  ILE  37          HG22      ILE  37  -3.387   2.665   7.964
  126   HG23  ILE  37          HG23      ILE  37  -1.826   2.312   7.216
  127   HD11  ILE  37          HD13      ILE  37  -1.972  -1.727   5.863
  128   HD12  ILE  37          HD11      ILE  37  -3.540  -1.315   6.554
  129   HD13  ILE  37          HD12      ILE  37  -2.673  -0.134   5.569
  130    H    GLN  38           HN       GLN  38  -3.691   0.620  11.440
  131    HA   GLN  38           HA       GLN  38  -4.823   3.170  11.655
  132    HB2  GLN  38           HB2      GLN  38  -4.688   0.779  13.466
  133    HB3  GLN  38           HB3      GLN  38  -5.415   2.276  14.031
  134    HG2  GLN  38           HG2      GLN  38  -6.248   0.953  11.472
  135    HG3  GLN  38           HG3      GLN  38  -6.963   0.537  13.028
  136   HE21  GLN  38          HE21      GLN  38  -6.545   3.115  10.657
  137   HE22  GLN  38          HE22      GLN  38  -7.885   4.067  11.198
  138    H    LYS  39           HN       LYS  39  -1.913   1.804  12.966
  139    HA   LYS  39           HA       LYS  39  -1.625   3.805  15.017
  140    HB2  LYS  39           HB2      LYS  39  -0.839   1.345  15.103
  141    HB3  LYS  39           HB3      LYS  39   0.491   1.874  14.083
  142    HG2  LYS  39           HG2      LYS  39   1.318   3.337  15.742
  143    HG3  LYS  39           HG3      LYS  39  -0.137   3.157  16.722
  144    HD2  LYS  39           HD2      LYS  39   1.669   1.858  17.672
  145    HD3  LYS  39           HD3      LYS  39   0.417   0.777  17.052
  146    HE2  LYS  39           HE2      LYS  39   1.738   0.454  15.008
  147    HE3  LYS  39           HE3      LYS  39   2.998   1.498  15.667
  148    HZ1  LYS  39           HZ3      LYS  39   3.327  -0.067  17.471
  149    HZ2  LYS  39           HZ1      LYS  39   3.506  -0.850  15.976
  150    HZ3  LYS  39           HZ2      LYS  39   2.087  -1.056  16.873
  151    H    HIS  40           HN       HIS  40  -1.486   4.005  11.882
  152    HA   HIS  40           HA       HIS  40   0.845   5.793  11.799
  153    HD1  HIS  40           HD1      HIS  40   1.084   1.659   9.984
  154    HD2  HIS  40           HD2      HIS  40   3.119   4.857  11.666
  155    HE1  HIS  40           HE1      HIS  40   3.181   0.681  10.981
  156    HE2  HIS  40           HE2      HIS  40   4.523   2.679  11.714
  157    HB2  HIS  40           HB2      HIS  40  -0.168   3.819   9.744
  158    HB3  HIS  40           HB3      HIS  40   0.998   5.087   9.374
  159    H    ASN  41           HN       ASN  41  -2.044   6.230  12.315
  160    HA   ASN  41           HA       ASN  41  -2.842   7.909  10.049
  161    HB2  ASN  41           HB2      ASN  41  -5.058   7.731  10.834
  162    HB3  ASN  41           HB3      ASN  41  -4.374   6.147  11.172
  163   HD21  ASN  41          HD21      ASN  41  -2.924   6.950  13.565
  164   HD22  ASN  41          HD22      ASN  41  -4.106   7.224  14.782
  165    H    HIS  42           HN       HIS  42  -0.696   8.649  11.965
  166    HA   HIS  42           HA       HIS  42  -1.986  10.847  13.430
  167    HD1  HIS  42           HD1      HIS  42   1.213   8.919  12.905
  168    HD2  HIS  42           HD2      HIS  42   0.237   7.652  16.739
  169    HE1  HIS  42           HE1      HIS  42   3.085   7.390  13.610
  170    HE2  HIS  42           HE2      HIS  42   2.582   6.845  16.003
  171    HB2  HIS  42           HB2      HIS  42  -0.773  10.294  15.471
  172    HB3  HIS  42           HB3      HIS  42  -1.783   8.941  14.977
  173    H    SER  43           HN       SER  43   0.147  11.784  14.845
  174    HA   SER  43           HA       SER  43   1.279  13.584  13.124
  175    HG   SER  43           HG       SER  43   1.443  12.205  16.587
  176    HB2  SER  43           HB2      SER  43   2.925  13.960  15.005
  177    HB3  SER  43           HB3      SER  43   1.222  14.006  15.466
  178    H    LYS  44           HN       LYS  44   2.990  10.849  14.591
  179    HA   LYS  44           HA       LYS  44   5.497  11.389  13.474
  180    HB2  LYS  44           HB2      LYS  44   4.314   8.904  14.663
  181    HB3  LYS  44           HB3      LYS  44   5.987   8.977  14.120
  182    HG2  LYS  44           HG2      LYS  44   4.780  10.849  16.153
  183    HG3  LYS  44           HG3      LYS  44   5.651   9.371  16.554
  184    HD2  LYS  44           HD2      LYS  44   7.283  11.007  16.763
  185    HD3  LYS  44           HD3      LYS  44   7.561  10.400  15.127
  186    HE2  LYS  44           HE2      LYS  44   6.144  12.286  14.283
  187    HE3  LYS  44           HE3      LYS  44   6.098  12.922  15.927
  188    HZ1  LYS  44           HZ3      LYS  44   8.532  12.526  14.271
  189    HZ2  LYS  44           HZ1      LYS  44   8.522  13.111  15.868
  190    HZ3  LYS  44           HZ2      LYS  44   7.792  14.007  14.622
  191    H    SER  45           HN       SER  45   2.859   9.540  12.172
  192    HA   SER  45           HA       SER  45   4.161   9.441   9.610
  193    HG   SER  45           HG       SER  45   5.719   8.143  10.768
  194    HB2  SER  45           HB2      SER  45   3.342   6.841  10.934
  195    HB3  SER  45           HB3      SER  45   3.891   7.010   9.269
  196    H    THR  46           HN       THR  46   2.663   9.357   7.913
  197    HA   THR  46           HA       THR  46  -0.146   9.035   8.729
  198    HB   THR  46           HB       THR  46   0.877  11.155   6.816
  199    HG1  THR  46           HG1      THR  46   0.612  11.119   9.533
  200   HG21  THR  46          HG23      THR  46  -1.880  10.649   7.953
  201   HG22  THR  46          HG21      THR  46  -1.396  10.367   6.281
  202   HG23  THR  46          HG22      THR  46  -1.429  12.010   6.928
  203    H    TRP  47           HN       TRP  47  -0.503   7.052   7.830
  204    HA   TRP  47           HA       TRP  47  -0.005   6.758   4.952
  205    HD1  TRP  47           HD1      TRP  47   2.195   6.510   5.671
  206    HE1  TRP  47           HE1      TRP  47   4.359   5.203   6.152
  207    HE3  TRP  47           HE3      TRP  47   0.138   2.055   7.107
  208    HZ2  TRP  47           HZ2      TRP  47   5.083   2.611   7.046
  209    HZ3  TRP  47           HZ3      TRP  47   1.631   0.225   7.762
  210    HH2  TRP  47           HH2      TRP  47   4.047   0.503   7.736
  211    HB2  TRP  47           HB2      TRP  47  -0.717   4.705   7.039
  212    HB3  TRP  47           HB3      TRP  47  -0.626   4.365   5.322
  213    H    LEU  48           HN       LEU  48  -1.795   5.486   3.808
  214    HA   LEU  48           HA       LEU  48  -4.396   5.515   5.077
  215    HG   LEU  48           HG       LEU  48  -4.283   6.064   1.455
  216    HB2  LEU  48           HB2      LEU  48  -5.594   6.823   3.518
  217    HB3  LEU  48           HB3      LEU  48  -4.189   7.791   3.925
  218   HD11  LEU  48          HD11      LEU  48  -4.973   8.060   0.204
  219   HD12  LEU  48          HD12      LEU  48  -6.194   7.586   1.382
  220   HD13  LEU  48          HD13      LEU  48  -5.134   8.952   1.713
  221   HD21  LEU  48          HD23      LEU  48  -2.587   7.635   0.652
  222   HD22  LEU  48          HD21      LEU  48  -2.652   8.498   2.188
  223   HD23  LEU  48          HD22      LEU  48  -2.073   6.832   2.135
  224    H    ILE  49           HN       ILE  49  -6.058   4.622   3.394
  225    HA   ILE  49           HA       ILE  49  -4.749   2.735   1.529
  226    HB   ILE  49           HB       ILE  49  -7.208   2.091   3.195
  227   HG12  ILE  49          HG12      ILE  49  -4.388   1.045   3.542
  228   HG13  ILE  49          HG13      ILE  49  -5.120   2.292   4.549
  229   HG21  ILE  49          HG21      ILE  49  -5.495   0.394   1.377
  230   HG22  ILE  49          HG22      ILE  49  -6.774  -0.227   2.425
  231   HG23  ILE  49          HG23      ILE  49  -7.168   0.879   1.111
  232   HD11  ILE  49          HD13      ILE  49  -6.801   0.725   5.303
  233   HD12  ILE  49          HD11      ILE  49  -6.122  -0.534   4.271
  234   HD13  ILE  49          HD12      ILE  49  -5.183   0.109   5.619
  235    H    LEU  50           HN       LEU  50  -5.879   2.498  -0.463
  236    HA   LEU  50           HA       LEU  50  -8.153   4.344  -0.753
  237    HG   LEU  50           HG       LEU  50  -5.936   5.963  -1.301
  238    HB2  LEU  50           HB2      LEU  50  -5.792   3.841  -2.464
  239    HB3  LEU  50           HB3      LEU  50  -7.312   4.157  -3.281
  240   HD11  LEU  50          HD11      LEU  50  -6.471   6.299  -4.251
  241   HD12  LEU  50          HD12      LEU  50  -5.635   7.443  -3.200
  242   HD13  LEU  50          HD13      LEU  50  -4.917   5.869  -3.540
  243   HD21  LEU  50          HD23      LEU  50  -8.483   6.447  -2.838
  244   HD22  LEU  50          HD21      LEU  50  -8.410   6.010  -1.134
  245   HD23  LEU  50          HD22      LEU  50  -7.716   7.535  -1.682
  246    H    HIS  51           HN       HIS  51  -7.398   1.101  -0.812
  247    HA   HIS  51           HA       HIS  51  -9.830   0.313  -2.009
  248    HD1  HIS  51           HD1      HIS  51 -10.377  -1.528  -4.888
  249    HD2  HIS  51           HD2      HIS  51  -9.587   2.558  -4.772
  250    HE1  HIS  51           HE1      HIS  51 -12.120  -0.464  -6.351
  251    HE2  HIS  51           HE2      HIS  51 -11.765   2.014  -6.073
  252    HB2  HIS  51           HB2      HIS  51  -7.617   0.742  -3.815
  253    HB3  HIS  51           HB3      HIS  51  -8.089  -0.956  -3.830
  254    H    HIS  52           HN       HIS  52  -6.496  -0.571  -1.353
  255    HA   HIS  52           HA       HIS  52  -7.003  -2.729   0.365
  256    HD1  HIS  52           HD1      HIS  52  -8.606  -5.166  -3.079
  257    HD2  HIS  52           HD2      HIS  52  -8.182  -4.471   0.997
  258    HE1  HIS  52           HE1      HIS  52 -10.574  -6.291  -1.986
  259    HE2  HIS  52           HE2      HIS  52 -10.412  -5.641   0.438
  260    HB2  HIS  52           HB2      HIS  52  -6.828  -3.422  -2.528
  261    HB3  HIS  52           HB3      HIS  52  -5.899  -4.417  -1.412
  262    H    LYS  53           HN       LYS  53  -5.012  -1.026  -1.875
  263    HA   LYS  53           HA       LYS  53  -2.535  -1.904  -0.660
  264    HB2  LYS  53           HB2      LYS  53  -3.069   0.157  -2.807
  265    HB3  LYS  53           HB3      LYS  53  -1.482  -0.429  -2.316
  266    HG2  LYS  53           HG2      LYS  53  -1.969  -2.609  -3.141
  267    HG3  LYS  53           HG3      LYS  53  -3.649  -2.174  -3.459
  268    HD2  LYS  53           HD2      LYS  53  -2.783  -0.447  -5.068
  269    HD3  LYS  53           HD3      LYS  53  -1.174  -1.141  -4.857
  270    HE2  LYS  53           HE2      LYS  53  -3.618  -2.575  -5.892
  271    HE3  LYS  53           HE3      LYS  53  -2.252  -2.027  -6.857
  272    HZ1  LYS  53           HZ3      LYS  53  -2.081  -4.366  -6.408
  273    HZ2  LYS  53           HZ1      LYS  53  -2.168  -4.108  -4.732
  274    HZ3  LYS  53           HZ2      LYS  53  -0.830  -3.547  -5.615
  275    H    VAL  54           HN       VAL  54  -1.194  -0.619   0.566
  276    HA   VAL  54           HA       VAL  54  -2.493   1.666   1.855
  277    HB   VAL  54           HB       VAL  54  -1.623  -0.023   3.373
  278   HG11  VAL  54          HG11      VAL  54   1.032   0.444   2.037
  279   HG12  VAL  54          HG12      VAL  54   0.805  -0.473   3.528
  280   HG13  VAL  54          HG13      VAL  54   0.070  -1.032   2.028
  281   HG21  VAL  54          HG23      VAL  54   0.078   2.462   3.414
  282   HG22  VAL  54          HG21      VAL  54  -1.517   2.278   4.150
  283   HG23  VAL  54          HG22      VAL  54  -0.146   1.358   4.770
  284    H    TYR  55           HN       TYR  55  -1.839   3.685   1.580
  285    HA   TYR  55           HA       TYR  55   0.563   4.146  -0.063
  286    HD1  TYR  55           HD2      TYR  55  -2.834   3.431  -0.385
  287    HD2  TYR  55           HD1      TYR  55  -0.812   6.138  -2.971
  288    HE1  TYR  55           HE2      TYR  55  -3.957   2.418  -2.329
  289    HE2  TYR  55           HE1      TYR  55  -1.935   5.137  -4.908
  290    HH   TYR  55           HH       TYR  55  -3.047   3.099  -5.562
  291    HB2  TYR  55           HB2      TYR  55  -1.856   5.946   0.260
  292    HB3  TYR  55           HB3      TYR  55  -0.450   6.317  -0.724
  293    H    ASP  56           HN       ASP  56   1.760   6.180   0.494
  294    HA   ASP  56           HA       ASP  56   1.423   6.928   3.329
  295    HB2  ASP  56           HB2      ASP  56   3.356   5.537   3.317
  296    HB3  ASP  56           HB3      ASP  56   3.968   6.277   1.841
  297    H    LEU  57           HN       LEU  57   1.666   9.083   3.841
  298    HA   LEU  57           HA       LEU  57   2.338  10.856   1.583
  299    HG   LEU  57           HG       LEU  57  -1.111  12.087   2.417
  300    HB2  LEU  57           HB2      LEU  57   0.772  11.643   4.034
  301    HB3  LEU  57           HB3      LEU  57   1.134  12.657   2.666
  302   HD11  LEU  57          HD11      LEU  57   0.266  11.804   0.373
  303   HD12  LEU  57          HD12      LEU  57   0.319  10.072   0.704
  304   HD13  LEU  57          HD13      LEU  57  -1.225  10.862   0.375
  305   HD21  LEU  57          HD23      LEU  57  -1.989   9.810   2.565
  306   HD22  LEU  57          HD21      LEU  57  -0.383   9.222   2.988
  307   HD23  LEU  57          HD22      LEU  57  -1.232  10.317   4.073
  308    H    THR  58           HN       THR  58   2.271  11.123   5.101
  309    HA   THR  58           HA       THR  58   3.634  12.113   6.594
  310    HB   THR  58           HB       THR  58   5.789  10.679   5.060
  311    HG1  THR  58           HG1      THR  58   4.271   9.154   5.609
  312   HG21  THR  58          HG23      THR  58   6.676  12.248   6.703
  313   HG22  THR  58          HG21      THR  58   6.938  10.583   7.227
  314   HG23  THR  58          HG22      THR  58   5.644  11.544   7.949
  315    H    LYS  59           HN       LYS  59   5.837  12.310   3.803
  316    HA   LYS  59           HA       LYS  59   6.500  15.031   4.402
  317    HB2  LYS  59           HB2      LYS  59   7.183  13.073   2.272
  318    HB3  LYS  59           HB3      LYS  59   7.463  14.779   1.961
  319    HG2  LYS  59           HG2      LYS  59   8.908  14.922   3.904
  320    HG3  LYS  59           HG3      LYS  59   8.604  13.217   4.268
  321    HD2  LYS  59           HD2      LYS  59   9.624  12.552   2.163
  322    HD3  LYS  59           HD3      LYS  59   9.846  14.241   1.713
  323    HE2  LYS  59           HE2      LYS  59  11.135  12.846   4.057
  324    HE3  LYS  59           HE3      LYS  59  11.916  13.230   2.525
  325    HZ1  LYS  59           HZ3      LYS  59  12.515  14.903   4.087
  326    HZ2  LYS  59           HZ1      LYS  59  10.902  15.158   4.549
  327    HZ3  LYS  59           HZ2      LYS  59  11.425  15.611   3.000
  328    H    PHE  60           HN       PHE  60   4.309  13.368   2.319
  329    HA   PHE  60           HA       PHE  60   3.933  15.382   0.368
  330    HD1  PHE  60           HD1      PHE  60   3.816  14.720  -1.849
  331    HD2  PHE  60           HD2      PHE  60   0.101  13.378  -0.261
  332    HE1  PHE  60           HE1      PHE  60   2.699  15.368  -3.951
  333    HE2  PHE  60           HE2      PHE  60  -1.020  14.024  -2.342
  334    HZ   PHE  60           HZ       PHE  60   0.270  14.922  -4.218
  335    HB2  PHE  60           HB2      PHE  60   3.489  12.918   0.114
  336    HB3  PHE  60           HB3      PHE  60   1.995  13.172   1.006
  337    H    LEU  61           HN       LEU  61   2.920  15.398   3.525
  338    HA   LEU  61           HA       LEU  61   0.263  15.952   3.630
  339    HG   LEU  61           HG       LEU  61   2.417  14.847   5.578
  340    HB2  LEU  61           HB2      LEU  61   2.511  17.230   5.172
  341    HB3  LEU  61           HB3      LEU  61   0.821  17.417   5.600
  342   HD11  LEU  61          HD11      LEU  61   1.907  14.861   7.993
  343   HD12  LEU  61          HD12      LEU  61   2.929  16.204   7.469
  344   HD13  LEU  61          HD13      LEU  61   1.220  16.475   7.801
  345   HD21  LEU  61          HD23      LEU  61   0.404  13.790   6.485
  346   HD22  LEU  61          HD21      LEU  61  -0.502  15.272   6.183
  347   HD23  LEU  61          HD22      LEU  61   0.177  14.360   4.832
  348    H    GLU  62           HN       GLU  62   2.768  18.455   3.249
  349    HA   GLU  62           HA       GLU  62   0.829  20.564   2.914
  350    HB2  GLU  62           HB2      GLU  62   3.495  21.419   2.273
  351    HB3  GLU  62           HB3      GLU  62   2.490  21.876   3.637
  352    HG2  GLU  62           HG2      GLU  62   3.334  19.954   4.904
  353    HG3  GLU  62           HG3      GLU  62   4.334  19.484   3.522
  354    H    GLU  63           HN       GLU  63   2.166  18.336   0.878
  355    HA   GLU  63           HA       GLU  63   2.674  20.172  -1.342
  356    HB2  GLU  63           HB2      GLU  63   4.317  18.352  -0.422
  357    HB3  GLU  63           HB3      GLU  63   3.336  17.244  -1.377
  358    HG2  GLU  63           HG2      GLU  63   3.880  18.338  -3.391
  359    HG3  GLU  63           HG3      GLU  63   4.577  19.717  -2.542
  360    H    HIS  64           HN       HIS  64   0.259  18.170  -0.191
  361    HA   HIS  64           HA       HIS  64  -0.757  17.313  -2.723
  362    HD1  HIS  64           HD1      HIS  64  -4.477  17.360  -0.129
  363    HD2  HIS  64           HD2      HIS  64  -2.711  14.834  -2.985
  364    HE1  HIS  64           HE1      HIS  64  -6.377  16.086  -1.258
  365    HB2  HIS  64           HB3      HIS  64  -1.173  15.973  -0.753
  366    HB3  HIS  64           HB2      HIS  64  -1.966  17.285   0.056
  367    HA   PRO  65           HA       PRO  65  -2.351  21.350  -3.678
  368    HB2  PRO  65           HB2      PRO  65  -4.068  20.646  -5.692
  369    HB3  PRO  65           HB3      PRO  65  -2.321  20.813  -5.878
  370    HG2  PRO  65           HG2      PRO  65  -3.957  18.350  -5.492
  371    HG3  PRO  65           HG3      PRO  65  -2.571  18.621  -6.565
  372    HD2  PRO  65           HD2      PRO  65  -2.341  17.307  -4.222
  373    HD3  PRO  65           HD3      PRO  65  -1.036  18.333  -4.847
  374    H    GLY  66           HN       GLY  66  -4.691  18.732  -3.118
  375    HA2  GLY  66           HA1      GLY  66  -6.712  20.809  -2.547
  376    HA3  GLY  66           HA2      GLY  66  -7.116  19.264  -3.268
  377    H    GLY  67           HN       GLY  67  -4.948  19.939  -0.554
  378    HA2  GLY  67           HA1      GLY  67  -6.633  19.513   1.584
  379    HA3  GLY  67           HA2      GLY  67  -6.172  17.904   1.041
  380    H    GLU  68           HN       GLU  68  -5.601  19.154   3.574
  381    HA   GLU  68           HA       GLU  68  -2.773  18.577   3.650
  382    HB2  GLU  68           HB2      GLU  68  -2.890  21.037   3.147
  383    HB3  GLU  68           HB3      GLU  68  -3.777  21.266   4.642
  384    HG2  GLU  68           HG2      GLU  68  -1.830  20.421   5.894
  385    HG3  GLU  68           HG3      GLU  68  -0.956  20.259   4.369
  386    H    GLU  69           HN       GLU  69  -5.094  20.324   5.671
  387    HA   GLU  69           HA       GLU  69  -4.484  18.779   8.000
  388    HB2  GLU  69           HB2      GLU  69  -5.016  21.168   8.127
  389    HB3  GLU  69           HB3      GLU  69  -6.604  20.868   7.440
  390    HG2  GLU  69           HG2      GLU  69  -6.984  21.113   9.726
  391    HG3  GLU  69           HG3      GLU  69  -7.031  19.376   9.453
  392    H    VAL  70           HN       VAL  70  -7.318  19.172   5.883
  393    HA   VAL  70           HA       VAL  70  -8.953  17.403   7.415
  394    HB   VAL  70           HB       VAL  70 -10.594  17.645   5.618
  395   HG11  VAL  70          HG11      VAL  70 -10.431  19.323   7.390
  396   HG12  VAL  70          HG12      VAL  70  -9.261  20.230   6.432
  397   HG13  VAL  70          HG13      VAL  70 -10.921  20.059   5.865
  398   HG21  VAL  70          HG23      VAL  70 -10.096  19.113   3.698
  399   HG22  VAL  70          HG21      VAL  70  -8.418  19.227   4.223
  400   HG23  VAL  70          HG22      VAL  70  -9.076  17.677   3.701
  401    H    LEU  71           HN       LEU  71  -6.454  16.677   5.382
  402    HA   LEU  71           HA       LEU  71  -7.475  14.305   4.209
  403    HG   LEU  71           HG       LEU  71  -5.543  16.622   3.318
  404    HB2  LEU  71           HB2      LEU  71  -4.622  14.989   4.930
  405    HB3  LEU  71           HB3      LEU  71  -5.141  13.691   3.879
  406   HD11  LEU  71          HD11      LEU  71  -3.591  14.667   2.108
  407   HD12  LEU  71          HD12      LEU  71  -3.769  16.370   1.686
  408   HD13  LEU  71          HD13      LEU  71  -3.181  15.911   3.284
  409   HD21  LEU  71          HD23      LEU  71  -7.248  15.211   2.300
  410   HD22  LEU  71          HD21      LEU  71  -6.145  15.854   1.082
  411   HD23  LEU  71          HD22      LEU  71  -5.994  14.178   1.610
  412    H    ARG  72           HN       ARG  72  -6.027  15.125   7.277
  413    HA   ARG  72           HA       ARG  72  -5.103  12.681   8.141
  414    HE   ARG  72           HE       ARG  72  -3.890  14.559  11.732
  415    HB2  ARG  72           HB2      ARG  72  -6.385  14.901   9.743
  416    HB3  ARG  72           HB3      ARG  72  -5.459  13.564  10.441
  417    HG2  ARG  72           HG2      ARG  72  -3.470  14.253   9.370
  418    HG3  ARG  72           HG3      ARG  72  -4.338  15.361   8.306
  419    HD2  ARG  72           HD2      ARG  72  -3.184  16.609  10.002
  420    HD3  ARG  72           HD3      ARG  72  -4.923  16.724  10.284
  421   HH11  ARG  72          HH12      ARG  72  -3.887  18.064  11.728
  422   HH12  ARG  72          HH11      ARG  72  -3.509  18.171  13.429
  423   HH21  ARG  72          HH22      ARG  72  -3.419  14.701  13.914
  424   HH22  ARG  72          HH21      ARG  72  -3.238  16.256  14.675
  425    H    GLU  73           HN       GLU  73  -8.393  13.851   8.155
  426    HA   GLU  73           HA       GLU  73  -9.503  12.268  10.157
  427    HB2  GLU  73           HB2      GLU  73 -10.540  14.299   9.240
  428    HB3  GLU  73           HB3      GLU  73 -10.822  13.476   7.712
  429    HG2  GLU  73           HG2      GLU  73 -12.222  11.832   9.009
  430    HG3  GLU  73           HG3      GLU  73 -12.107  12.954  10.370
  431    H    GLN  74           HN       GLN  74  -8.808  11.602   6.867
  432    HA   GLN  74           HA       GLN  74 -10.500   9.198   6.767
  433    HB2  GLN  74           HB2      GLN  74  -9.114  10.804   4.616
  434    HB3  GLN  74           HB3      GLN  74 -10.073   9.364   4.315
  435    HG2  GLN  74           HG2      GLN  74 -11.089  11.938   5.508
  436    HG3  GLN  74           HG3      GLN  74 -11.302  11.410   3.840
  437   HE21  GLN  74          HE21      GLN  74 -13.265  12.037   5.981
  438   HE22  GLN  74          HE22      GLN  74 -14.267  10.629   6.100
  439    H    ALA  75           HN       ALA  75  -7.360  10.117   7.358
  440    HA   ALA  75           HA       ALA  75  -6.058   7.949   5.950
  441    HB1  ALA  75           HB3      ALA  75  -4.882  10.081   7.730
  442    HB2  ALA  75           HB1      ALA  75  -3.968   8.920   6.767
  443    HB3  ALA  75           HB2      ALA  75  -4.970  10.133   5.970
  444    H    GLY  76           HN       GLY  76  -4.820   6.366   6.945
  445    HA2  GLY  76           HA1      GLY  76  -4.113   5.185   8.956
  446    HA3  GLY  76           HA2      GLY  76  -5.568   5.795   9.741
  447    H    GLY  77           HN       GLY  77  -7.046   5.276   7.157
  448    HA2  GLY  77           HA1      GLY  77  -6.899   2.380   6.867
  449    HA3  GLY  77           HA2      GLY  77  -8.431   3.028   7.472
  450    H    ASP  78           HN       ASP  78  -9.573   2.359   5.539
  451    HA   ASP  78           HA       ASP  78  -8.507   3.176   2.999
  452    HB2  ASP  78           HB2      ASP  78  -9.982   1.132   3.366
  453    HB3  ASP  78           HB3      ASP  78 -11.339   2.251   3.453
  454    H    ALA  79           HN       ALA  79  -9.492   4.700   1.553
  455    HA   ALA  79           HA       ALA  79 -11.112   6.752   2.915
  456    HB1  ALA  79           HB3      ALA  79  -9.738   8.509   1.980
  457    HB2  ALA  79           HB1      ALA  79  -8.755   7.419   2.958
  458    HB3  ALA  79           HB2      ALA  79  -8.707   7.311   1.199
  459    H    THR  80           HN       THR  80 -11.285   4.605   0.533
  460    HA   THR  80           HA       THR  80 -11.637   6.221  -1.791
  461    HB   THR  80           HB       THR  80 -11.108   3.747  -1.857
  462    HG1  THR  80           HG1      THR  80 -13.327   4.767  -3.327
  463   HG21  THR  80          HG23      THR  80 -13.044   2.198  -1.824
  464   HG22  THR  80          HG21      THR  80 -14.066   3.521  -1.260
  465   HG23  THR  80          HG22      THR  80 -12.751   2.931  -0.241
  466    H    GLU  81           HN       GLU  81 -13.559   5.836   0.912
  467    HA   GLU  81           HA       GLU  81 -16.180   6.007   0.150
  468    HB2  GLU  81           HB2      GLU  81 -15.150   6.233   2.481
  469    HB3  GLU  81           HB3      GLU  81 -14.905   7.928   2.115
  470    HG2  GLU  81           HG2      GLU  81 -16.869   8.154   3.149
  471    HG3  GLU  81           HG3      GLU  81 -17.509   7.723   1.567
  472    H    ASN  82           HN       ASN  82 -13.755   8.550   0.180
  473    HA   ASN  82           HA       ASN  82 -15.380  10.684  -0.730
  474    HB2  ASN  82           HB2      ASN  82 -13.385  11.122   0.562
  475    HB3  ASN  82           HB3      ASN  82 -12.382  10.292  -0.624
  476   HD21  ASN  82          HD21      ASN  82 -14.105  13.206   0.140
  477   HD22  ASN  82          HD22      ASN  82 -13.453  14.152  -1.150
  478    H    PHE  83           HN       PHE  83 -13.329   8.346  -2.239
  479    HA   PHE  83           HA       PHE  83 -12.836   9.733  -4.649
  480    HD1  PHE  83           HD1      PHE  83 -10.289   9.187  -5.742
  481    HD2  PHE  83           HD2      PHE  83 -12.768   5.736  -6.033
  482    HE1  PHE  83           HE1      PHE  83  -9.421   8.763  -8.013
  483    HE2  PHE  83           HE2      PHE  83 -11.889   5.307  -8.286
  484    HZ   PHE  83           HZ       PHE  83 -10.264   6.880  -9.311
  485    HB2  PHE  83           HB2      PHE  83 -11.297   8.066  -3.718
  486    HB3  PHE  83           HB3      PHE  83 -12.505   6.810  -3.955
  487    H    GLU  84           HN       GLU  84 -15.306   7.528  -3.635
  488    HA   GLU  84           HA       GLU  84 -16.098   6.968  -6.379
  489    HB2  GLU  84           HB2      GLU  84 -17.146   6.004  -3.729
  490    HB3  GLU  84           HB3      GLU  84 -17.806   5.499  -5.279
  491    HG2  GLU  84           HG2      GLU  84 -15.338   4.873  -5.797
  492    HG3  GLU  84           HG3      GLU  84 -15.166   4.890  -4.045
  493    H    ASP  85           HN       ASP  85 -16.583   9.389  -4.259
  494    HA   ASP  85           HA       ASP  85 -19.374   9.908  -4.955
  495    HB2  ASP  85           HB2      ASP  85 -18.642  10.243  -2.598
  496    HB3  ASP  85           HB3      ASP  85 -17.501  11.474  -3.143
  497    H    VAL  86           HN       VAL  86 -16.179  11.439  -5.151
  498    HA   VAL  86           HA       VAL  86 -17.072  12.747  -7.617
  499    HB   VAL  86           HB       VAL  86 -15.672  14.776  -7.019
  500   HG11  VAL  86          HG11      VAL  86 -18.102  14.210  -5.321
  501   HG12  VAL  86          HG12      VAL  86 -17.453  15.809  -5.686
  502   HG13  VAL  86          HG13      VAL  86 -18.111  14.807  -6.980
  503   HG21  VAL  86          HG23      VAL  86 -14.371  13.898  -5.196
  504   HG22  VAL  86          HG21      VAL  86 -15.384  15.207  -4.587
  505   HG23  VAL  86          HG22      VAL  86 -15.830  13.532  -4.279
  506    H    GLY  87           HN       GLY  87 -14.185  12.038  -5.610
  507    HA2  GLY  87           HA1      GLY  87 -12.534  10.519  -6.243
  508    HA3  GLY  87           HA2      GLY  87 -13.125  10.607  -7.894
  509    H    HIS  88           HN       HIS  88 -11.093  10.737  -8.668
  510    HA   HIS  88           HA       HIS  88  -9.651  13.288  -8.329
  511    HD1  HIS  88           HD1      HIS  88  -8.604   9.972  -6.003
  512    HD2  HIS  88           HD2      HIS  88  -6.880  13.629  -6.989
  513    HE1  HIS  88           HE1      HIS  88  -7.484  10.844  -3.881
  514    HB2  HIS  88           HB2      HIS  88  -8.591  10.464  -8.519
  515    HB3  HIS  88           HB3      HIS  88  -7.615  11.818  -9.061
  516    H    SER  89           HN       SER  89  -7.904  13.181 -10.358
  517    HA   SER  89           HA       SER  89  -9.467  12.480 -12.745
  518    HG   SER  89           HG       SER  89  -6.632  15.137 -12.637
  519    HB2  SER  89           HB2      SER  89  -8.170  14.358 -13.880
  520    HB3  SER  89           HB3      SER  89  -9.381  14.846 -12.697
  521    H    THR  90           HN       THR  90  -7.596  12.703 -14.709
  522    HA   THR  90           HA       THR  90  -6.382  10.234 -14.681
  523    HB   THR  90           HB       THR  90  -5.300  12.545 -16.280
  524    HG1  THR  90           HG1      THR  90  -7.053  12.235 -17.686
  525   HG21  THR  90          HG23      THR  90  -4.196  10.338 -16.519
  526   HG22  THR  90          HG21      THR  90  -5.004  10.839 -18.002
  527   HG23  THR  90          HG22      THR  90  -5.746   9.630 -16.961
  528    H    ASP  91           HN       ASP  91  -5.049  13.328 -13.644
  529    HA   ASP  91           HA       ASP  91  -2.345  12.838 -13.635
  530    HB2  ASP  91           HB2      ASP  91  -3.688  14.272 -11.366
  531    HB3  ASP  91           HB3      ASP  91  -2.146  14.631 -12.119
  532    H    ALA  92           HN       ALA  92  -4.676  12.075 -11.054
  533    HA   ALA  92           HA       ALA  92  -2.555  11.107  -9.322
  534    HB1  ALA  92           HB3      ALA  92  -4.344  10.882  -7.653
  535    HB2  ALA  92           HB1      ALA  92  -4.306  12.485  -8.388
  536    HB3  ALA  92           HB2      ALA  92  -5.530  11.316  -8.885
  537    H    ARG  93           HN       ARG  93  -3.898   9.649 -11.825
  538    HA   ARG  93           HA       ARG  93  -4.291   7.037 -10.545
  539    HE   ARG  93           HE       ARG  93  -3.987   6.111 -16.268
  540    HB2  ARG  93           HB2      ARG  93  -5.230   6.296 -12.541
  541    HB3  ARG  93           HB3      ARG  93  -5.692   7.992 -12.540
  542    HG2  ARG  93           HG2      ARG  93  -3.730   8.454 -14.014
  543    HG3  ARG  93           HG3      ARG  93  -3.458   6.712 -14.105
  544    HD2  ARG  93           HD2      ARG  93  -6.202   7.215 -14.665
  545    HD3  ARG  93           HD3      ARG  93  -5.231   8.306 -15.644
  546   HH11  ARG  93          HH12      ARG  93  -7.406   6.383 -15.595
  547   HH12  ARG  93          HH11      ARG  93  -7.856   5.063 -16.619
  548   HH21  ARG  93          HH22      ARG  93  -4.571   4.383 -17.669
  549   HH22  ARG  93          HH21      ARG  93  -6.246   3.935 -17.840
  550    H    GLU  94           HN       GLU  94  -1.869   8.959 -11.701
  551    HA   GLU  94           HA       GLU  94  -0.169   6.686 -12.462
  552    HB2  GLU  94           HB2      GLU  94  -0.946   8.355 -14.280
  553    HB3  GLU  94           HB3      GLU  94   0.183   9.480 -13.525
  554    HG2  GLU  94           HG2      GLU  94   1.285   8.434 -15.341
  555    HG3  GLU  94           HG3      GLU  94   1.970   7.759 -13.863
  556    H    MET  95           HN       MET  95  -0.258   9.963 -11.179
  557    HA   MET  95           HA       MET  95   2.438  10.117 -10.415
  558    HB2  MET  95           HB2      MET  95   1.018  12.079 -10.767
  559    HB3  MET  95           HB3      MET  95   0.044  11.653  -9.373
  560    HG2  MET  95           HG2      MET  95   1.922  12.015  -7.903
  561    HG3  MET  95           HG3      MET  95   2.969  12.362  -9.276
  562    HE1  MET  95           HE3      MET  95   0.901  14.239 -11.105
  563    HE2  MET  95           HE1      MET  95   1.525  15.794 -10.557
  564    HE3  MET  95           HE2      MET  95   2.634  14.462 -10.873
  565    H    SER  96           HN       SER  96  -0.127   8.411  -9.008
  566    HA   SER  96           HA       SER  96   0.743   8.778  -6.259
  567    HG   SER  96           HG       SER  96  -2.691   7.625  -7.911
  568    HB2  SER  96           HB2      SER  96  -1.328   7.490  -5.719
  569    HB3  SER  96           HB3      SER  96  -1.638   8.956  -6.654
  570    H    LYS  97           HN       LYS  97   1.528   6.806  -8.777
  571    HA   LYS  97           HA       LYS  97   1.201   4.153  -7.898
  572    HB2  LYS  97           HB2      LYS  97   3.225   5.315  -9.821
  573    HB3  LYS  97           HB3      LYS  97   2.911   3.602  -9.611
  574    HG2  LYS  97           HG2      LYS  97   0.991   5.651 -10.696
  575    HG3  LYS  97           HG3      LYS  97   1.865   4.417 -11.605
  576    HD2  LYS  97           HD2      LYS  97   0.579   2.938  -9.685
  577    HD3  LYS  97           HD3      LYS  97  -0.590   4.213 -10.036
  578    HE2  LYS  97           HE2      LYS  97   0.702   2.423 -12.081
  579    HE3  LYS  97           HE3      LYS  97  -0.934   2.255 -11.457
  580    HZ1  LYS  97           HZ3      LYS  97  -1.095   3.354 -13.513
  581    HZ2  LYS  97           HZ1      LYS  97   0.157   4.449 -13.141
  582    HZ3  LYS  97           HZ2      LYS  97  -1.337   4.546 -12.333
  583    H    THR  98           HN       THR  98   3.706   6.509  -7.317
  584    HA   THR  98           HA       THR  98   5.460   4.484  -6.149
  585    HB   THR  98           HB       THR  98   6.937   6.678  -5.874
  586    HG1  THR  98           HG1      THR  98   6.324   7.869  -7.988
  587   HG21  THR  98          HG23      THR  98   6.440   5.312  -8.527
  588   HG22  THR  98          HG21      THR  98   7.508   4.718  -7.258
  589   HG23  THR  98          HG22      THR  98   7.890   6.221  -8.102
  590    H    PHE  99           HN       PHE  99   2.923   6.108  -5.106
  591    HA   PHE  99           HA       PHE  99   4.026   6.692  -2.469
  592    HD1  PHE  99           HD1      PHE  99   3.454   9.018  -1.198
  593    HD2  PHE  99           HD2      PHE  99   2.042   8.984  -5.213
  594    HE1  PHE  99           HE1      PHE  99   4.357  11.279  -1.551
  595    HE2  PHE  99           HE2      PHE  99   2.957  11.234  -5.563
  596    HZ   PHE  99           HZ       PHE  99   4.109  12.391  -3.724
  597    HB2  PHE  99           HB2      PHE  99   1.375   7.316  -3.765
  598    HB3  PHE  99           HB3      PHE  99   1.618   7.464  -2.026
  599    H    ILE 100           HN       ILE 100   2.487   4.284  -4.232
  600    HA   ILE 100           HA       ILE 100   1.082   3.000  -2.123
  601    HB   ILE 100           HB       ILE 100   2.080   1.682  -4.651
  602   HG12  ILE 100          HG12      ILE 100  -0.494   3.236  -4.260
  603   HG13  ILE 100          HG13      ILE 100   0.888   3.774  -5.207
  604   HG21  ILE 100          HG21      ILE 100   1.248   0.187  -2.957
  605   HG22  ILE 100          HG22      ILE 100  -0.254   1.107  -2.843
  606   HG23  ILE 100          HG23      ILE 100   0.138   0.232  -4.326
  607   HD11  ILE 100          HD13      ILE 100  -0.892   2.902  -6.615
  608   HD12  ILE 100          HD11      ILE 100   0.565   1.920  -6.750
  609   HD13  ILE 100          HD12      ILE 100  -0.799   1.349  -5.786
  610    H    ILE 101           HN       ILE 101   2.248   2.185  -0.404
  611    HA   ILE 101           HA       ILE 101   5.029   1.408  -0.880
  612    HB   ILE 101           HB       ILE 101   5.279   1.331   1.540
  613   HG12  ILE 101          HG12      ILE 101   2.397   2.254   1.664
  614   HG13  ILE 101          HG13      ILE 101   2.933   0.623   2.034
  615   HG21  ILE 101          HG21      ILE 101   3.986   3.822   0.433
  616   HG22  ILE 101          HG22      ILE 101   4.904   3.755   1.938
  617   HG23  ILE 101          HG23      ILE 101   5.703   3.407   0.406
  618   HD11  ILE 101          HD13      ILE 101   2.548   1.970   4.039
  619   HD12  ILE 101          HD11      ILE 101   4.213   1.408   3.894
  620   HD13  ILE 101          HD12      ILE 101   3.816   3.085   3.513
  621    H    GLY 102           HN       GLY 102   1.971  -0.083  -0.329
  622    HA2  GLY 102           HA1      GLY 102   2.867  -2.645  -0.943
  623    HA3  GLY 102           HA2      GLY 102   2.897  -2.520   0.812
  624    H    GLU 103           HN       GLU 103   1.252  -4.219   0.818
  625    HA   GLU 103           HA       GLU 103  -1.408  -3.051   0.384
  626    HB2  GLU 103           HB2      GLU 103  -0.653  -5.889  -0.313
  627    HB3  GLU 103           HB3      GLU 103  -2.258  -5.178  -0.441
  628    HG2  GLU 103           HG2      GLU 103  -1.220  -3.505  -2.056
  629    HG3  GLU 103           HG3      GLU 103   0.183  -4.567  -2.076
  630    H    LEU 104           HN       LEU 104  -3.088  -4.792   1.413
  631    HA   LEU 104           HA       LEU 104  -2.431  -4.796   4.204
  632    HG   LEU 104           HG       LEU 104  -4.770  -3.625   2.331
  633    HB2  LEU 104           HB2      LEU 104  -4.815  -6.032   2.812
  634    HB3  LEU 104           HB3      LEU 104  -4.677  -5.692   4.526
  635   HD11  LEU 104          HD11      LEU 104  -6.947  -3.075   3.175
  636   HD12  LEU 104          HD12      LEU 104  -6.915  -4.790   2.755
  637   HD13  LEU 104          HD13      LEU 104  -6.807  -4.286   4.444
  638   HD21  LEU 104          HD23      LEU 104  -4.695  -3.320   5.324
  639   HD22  LEU 104          HD21      LEU 104  -3.369  -2.962   4.217
  640   HD23  LEU 104          HD22      LEU 104  -4.855  -2.013   4.149
  641    H    HIS 105           HN       HIS 105  -2.850  -6.818   5.551
  642    HA   HIS 105           HA       HIS 105  -1.171  -8.934   4.921
  643    HD1  HIS 105           HD1      HIS 105  -3.388 -11.630   7.588
  644    HD2  HIS 105           HD2      HIS 105   0.284  -9.775   6.938
  645    HE1  HIS 105           HE1      HIS 105  -1.646 -13.210   8.471
  646    HE2  HIS 105           HE2      HIS 105   0.552 -12.193   7.814
  647    HB2  HIS 105           HB2      HIS 105  -2.487  -8.300   7.117
  648    HB3  HIS 105           HB3      HIS 105  -3.663  -9.449   6.494
  649    HA   PRO 106           HA       PRO 106  -2.884 -11.598   1.765
  650    HB2  PRO 106           HB2      PRO 106  -2.882 -13.755   3.794
  651    HB3  PRO 106           HB3      PRO 106  -2.123 -13.709   2.206
  652    HG2  PRO 106           HG2      PRO 106  -0.850 -13.333   4.661
  653    HG3  PRO 106           HG3      PRO 106  -0.176 -12.970   3.065
  654    HD2  PRO 106           HD2      PRO 106  -0.881 -11.125   5.119
  655    HD3  PRO 106           HD3      PRO 106  -0.314 -10.757   3.482
  656    H    ASP 107           HN       ASP 107  -4.343 -11.531   4.948
  657    HA   ASP 107           HA       ASP 107  -6.693 -13.015   4.163
  658    HB2  ASP 107           HB2      ASP 107  -6.059 -11.533   6.736
  659    HB3  ASP 107           HB3      ASP 107  -7.384 -12.669   6.501
  660    H    ASP 108           HN       ASP 108  -5.753  -9.751   4.931
  661    HA   ASP 108           HA       ASP 108  -8.377  -8.572   4.712
  662    HB2  ASP 108           HB2      ASP 108  -5.661  -7.221   4.752
  663    HB3  ASP 108           HB3      ASP 108  -7.213  -6.473   5.088
  664    H    ARG 109           HN       ARG 109  -5.846  -9.425   2.636
  665    HA   ARG 109           HA       ARG 109  -5.800  -7.164   0.936
  666    HE   ARG 109           HE       ARG 109  -2.806  -7.399  -2.805
  667    HB2  ARG 109           HB2      ARG 109  -3.926  -8.857   1.404
  668    HB3  ARG 109           HB3      ARG 109  -4.719  -9.903   0.242
  669    HG2  ARG 109           HG2      ARG 109  -3.998  -7.141  -0.611
  670    HG3  ARG 109           HG3      ARG 109  -2.725  -8.349  -0.445
  671    HD2  ARG 109           HD2      ARG 109  -4.028  -9.856  -1.933
  672    HD3  ARG 109           HD3      ARG 109  -5.178  -8.533  -2.187
  673   HH11  ARG 109          HH12      ARG 109  -4.368 -10.353  -3.898
  674   HH12  ARG 109          HH11      ARG 109  -3.524 -10.360  -5.411
  675   HH21  ARG 109          HH22      ARG 109  -1.700  -7.441  -4.769
  676   HH22  ARG 109          HH21      ARG 109  -2.009  -8.727  -5.913
  677    HA   PRO 110           HA       PRO 110  -8.807  -9.351  -1.875
  678    HB2  PRO 110           HB2      PRO 110  -9.252 -12.002  -1.782
  679    HB3  PRO 110           HB3      PRO 110  -7.819 -11.321  -2.566
  680    HG2  PRO 110           HG2      PRO 110  -8.024 -12.841  -0.068
  681    HG3  PRO 110           HG3      PRO 110  -6.602 -12.501  -1.063
  682    HD2  PRO 110           HD2      PRO 110  -7.507 -11.136   1.346
  683    HD3  PRO 110           HD3      PRO 110  -5.973 -10.961   0.469
  684    H    LYS 111           HN       LYS 111  -8.929  -9.785   1.407
  685    HA   LYS 111           HA       LYS 111 -10.533  -9.728   2.985
  686    HB2  LYS 111           HB2      LYS 111 -12.351  -9.396   0.622
  687    HB3  LYS 111           HB3      LYS 111 -12.956  -9.447   2.266
  688    HG2  LYS 111           HG2      LYS 111 -11.528  -7.493   2.786
  689    HG3  LYS 111           HG3      LYS 111 -11.087  -7.401   1.080
  690    HD2  LYS 111           HD2      LYS 111 -13.902  -7.268   2.142
  691    HD3  LYS 111           HD3      LYS 111 -12.932  -5.866   1.700
  692    HE2  LYS 111           HE2      LYS 111 -12.808  -6.614  -0.588
  693    HE3  LYS 111           HE3      LYS 111 -13.665  -8.103  -0.173
  694    HZ1  LYS 111           HZ3      LYS 111 -14.811  -5.389   0.172
  695    HZ2  LYS 111           HZ1      LYS 111 -15.616  -6.877   0.289
  696    HZ3  LYS 111           HZ2      LYS 111 -15.050  -6.339  -1.214
  697    H    LEU 112           HN       LEU 112 -10.357 -11.695   3.923
  698    HA   LEU 112           HA       LEU 112 -11.037 -13.746   4.629
  699    HG   LEU 112           HG       LEU 112 -13.457 -15.542   3.853
  700    HB2  LEU 112           HB2      LEU 112 -13.270 -12.593   4.470
  701    HB3  LEU 112           HB3      LEU 112 -13.463 -13.310   2.885
  702   HD11  LEU 112          HD11      LEU 112 -13.170 -14.140   6.505
  703   HD12  LEU 112          HD12      LEU 112 -13.478 -15.861   6.280
  704   HD13  LEU 112          HD13      LEU 112 -11.955 -15.159   5.730
  705   HD21  LEU 112          HD23      LEU 112 -15.334 -13.602   5.166
  706   HD22  LEU 112          HD21      LEU 112 -15.587 -14.468   3.649
  707   HD23  LEU 112          HD22      LEU 112 -15.543 -15.351   5.175
  708    H    ASN 113           HN       ASN 113  -9.161 -14.166   3.085
  709    HA   ASN 113           HA       ASN 113  -8.100 -15.747   1.873
  710    HB2  ASN 113           HB2      ASN 113 -10.822 -17.050   1.819
  711    HB3  ASN 113           HB3      ASN 113  -9.403 -17.774   1.069
  712   HD21  ASN 113          HD21      ASN 113  -7.579 -16.853   3.141
  713   HD22  ASN 113          HD22      ASN 113  -7.887 -17.855   4.509
  714    H    LYS 114           HN       LYS 114  -8.383 -16.973  -0.441
  715    HA   LYS 114           HA       LYS 114  -9.421 -14.996  -2.327
  716    HB2  LYS 114           HB2      LYS 114  -7.268 -15.036  -3.549
  717    HB3  LYS 114           HB3      LYS 114  -7.104 -14.369  -1.933
  718    HG2  LYS 114           HG2      LYS 114  -6.266 -16.590  -1.176
  719    HG3  LYS 114           HG3      LYS 114  -6.304 -17.110  -2.861
  720    HD2  LYS 114           HD2      LYS 114  -4.770 -15.203  -3.410
  721    HD3  LYS 114           HD3      LYS 114  -4.630 -14.906  -1.674
  722    HE2  LYS 114           HE2      LYS 114  -3.809 -17.211  -1.363
  723    HE3  LYS 114           HE3      LYS 114  -3.909 -17.468  -3.104
  724    HZ1  LYS 114           HZ3      LYS 114  -1.743 -16.881  -2.927
  725    HZ2  LYS 114           HZ1      LYS 114  -1.982 -15.912  -1.559
  726    HZ3  LYS 114           HZ2      LYS 114  -2.399 -15.331  -3.091
  727    HA   PRO 115           HA       PRO 115 -10.162 -18.827  -4.543
  728    HB2  PRO 115           HB2      PRO 115 -11.920 -17.863  -6.298
  729    HB3  PRO 115           HB3      PRO 115 -12.346 -18.045  -4.594
  730    HG2  PRO 115           HG2      PRO 115 -11.651 -15.570  -6.118
  731    HG3  PRO 115           HG3      PRO 115 -12.807 -15.789  -4.792
  732    HD2  PRO 115           HD2      PRO 115 -10.178 -14.802  -4.570
  733    HD3  PRO 115           HD3      PRO 115 -11.232 -15.312  -3.242
  734    HA   PRO 116           HA       PRO 116  -7.457 -17.965  -8.066
  735    HB2  PRO 116           HB2      PRO 116  -7.070 -20.741  -8.449
  736    HB3  PRO 116           HB3      PRO 116  -5.982 -19.621  -7.632
  737    HG2  PRO 116           HG2      PRO 116  -7.394 -21.721  -6.436
  738    HG3  PRO 116           HG3      PRO 116  -6.599 -20.374  -5.600
  739    HD2  PRO 116           HD2      PRO 116  -9.482 -20.763  -6.255
  740    HD3  PRO 116           HD3      PRO 116  -8.731 -19.952  -4.866
  741    H    GLU 117           HN       GLU 117  -9.291 -21.020  -8.329
  742    HA   GLU 117           HA       GLU 117 -10.522 -20.016 -10.796
  743    HB2  GLU 117           HB2      GLU 117  -9.038 -22.610 -10.369
  744    HB3  GLU 117           HB3      GLU 117 -10.243 -22.424 -11.642
  745    HG2  GLU 117           HG2      GLU 117  -8.959 -20.998 -12.857
  746    HG3  GLU 117           HG3      GLU 117  -8.102 -20.389 -11.443
  747    H    THR 118           HN       THR 118 -12.642 -19.935 -10.257
  748    HA   THR 118           HA       THR 118 -14.668 -20.428  -9.406
  749    HB   THR 118           HB       THR 118 -13.839 -23.302  -9.857
  750    HG1  THR 118           HG1      THR 118 -15.213 -22.692 -11.866
  751   HG21  THR 118          HG23      THR 118 -16.270 -23.638 -10.189
  752   HG22  THR 118          HG21      THR 118 -16.545 -21.964  -9.711
  753   HG23  THR 118          HG22      THR 118 -15.875 -23.111  -8.556
  754    H    LEU 119           HN       LEU 119 -13.470 -19.619  -7.422
  755    HA   LEU 119           HA       LEU 119 -13.193 -19.590  -5.196
  756    HG   LEU 119           HG       LEU 119 -16.743 -19.976  -4.280
  757    HB2  LEU 119           HB2      LEU 119 -15.361 -21.632  -5.439
  758    HB3  LEU 119           HB3      LEU 119 -14.699 -21.197  -3.875
  759   HD11  LEU 119          HD11      LEU 119 -15.147 -18.822  -2.972
  760   HD12  LEU 119          HD12      LEU 119 -14.288 -18.261  -4.407
  761   HD13  LEU 119          HD13      LEU 119 -15.906 -17.658  -4.052
  762   HD21  LEU 119          HD23      LEU 119 -15.393 -18.912  -6.757
  763   HD22  LEU 119          HD21      LEU 119 -16.808 -19.970  -6.692
  764   HD23  LEU 119          HD22      LEU 119 -16.915 -18.317  -6.088
  765    H    ILE 120           HN       ILE 120 -13.944 -22.934  -4.745
  766    HA   ILE 120           HA       ILE 120 -11.518 -24.173  -5.049
  767    HB   ILE 120           HB       ILE 120 -10.516 -22.571  -3.489
  768   HG12  ILE 120          HG12      ILE 120  -9.973 -25.152  -3.420
  769   HG13  ILE 120          HG13      ILE 120  -9.280 -24.069  -2.218
  770   HG21  ILE 120          HG21      ILE 120 -11.233 -22.558  -1.087
  771   HG22  ILE 120          HG22      ILE 120 -12.395 -21.853  -2.219
  772   HG23  ILE 120          HG23      ILE 120 -12.658 -23.475  -1.574
  773   HD11  ILE 120          HD13      ILE 120 -11.021 -24.745  -0.632
  774   HD12  ILE 120          HD11      ILE 120 -11.683 -25.845  -1.838
  775   HD13  ILE 120          HD12      ILE 120 -10.066 -26.120  -1.189
  776    H    THR 121           HN       THR 121 -14.220 -23.747  -2.833
  777    HA   THR 121           HA       THR 121 -14.335 -26.547  -2.140
  778    HB   THR 121           HB       THR 121 -16.531 -25.716  -1.030
  779    HG1  THR 121           HG1      THR 121 -16.946 -23.707  -1.679
  780   HG21  THR 121          HG23      THR 121 -14.501 -26.245   0.210
  781   HG22  THR 121          HG21      THR 121 -15.277 -24.804   0.866
  782   HG23  THR 121          HG22      THR 121 -13.845 -24.644  -0.152
  783    H    THR 122           HN       THR 122 -14.701 -27.590  -4.086
  784    HA   THR 122           HA       THR 122 -17.054 -26.962  -5.667
  785    HB   THR 122           HB       THR 122 -15.157 -29.264  -6.101
  786    HG1  THR 122           HG1      THR 122 -14.710 -26.567  -6.338
  787   HG21  THR 122          HG23      THR 122 -15.827 -28.928  -8.467
  788   HG22  THR 122          HG21      THR 122 -16.938 -27.664  -7.952
  789   HG23  THR 122          HG22      THR 122 -17.199 -29.330  -7.440
  790    H    ILE 123           HN       ILE 123 -18.965 -27.792  -5.152
  791    HA   ILE 123           HA       ILE 123 -19.167 -30.276  -3.636
  792    HB   ILE 123           HB       ILE 123 -21.417 -28.536  -4.655
  793   HG12  ILE 123          HG12      ILE 123 -19.988 -28.434  -1.983
  794   HG13  ILE 123          HG13      ILE 123 -19.930 -27.199  -3.240
  795   HG21  ILE 123          HG21      ILE 123 -21.296 -30.616  -2.473
  796   HG22  ILE 123          HG22      ILE 123 -22.689 -29.599  -2.832
  797   HG23  ILE 123          HG23      ILE 123 -22.126 -30.769  -4.025
  798   HD11  ILE 123          HD13      ILE 123 -22.304 -26.777  -2.940
  799   HD12  ILE 123          HD11      ILE 123 -22.383 -28.025  -1.697
  800   HD13  ILE 123          HD12      ILE 123 -21.425 -26.566  -1.427
  801    H    ASP 124           HN       ASP 124 -19.014 -29.233  -6.791
  802    HA   ASP 124           HA       ASP 124 -20.659 -31.253  -8.041
  803    HB2  ASP 124           HB2      ASP 124 -20.247 -28.987  -9.040
  804    HB3  ASP 124           HB3      ASP 124 -18.562 -29.436  -9.270
  805    H    SER 125           HN       SER 125 -19.228 -32.626  -6.402
  806    HA   SER 125           HA       SER 125 -17.726 -34.269  -6.033
  807    HG   SER 125           HG       SER 125 -19.421 -34.677  -8.637
  808    HB2  SER 125           HB2      SER 125 -17.272 -34.245  -9.026
  809    HB3  SER 125           HB3      SER 125 -16.821 -35.530  -7.904
  810    H    SER 126           HN       SER 126 -15.264 -34.830  -6.319
  811    HA   SER 126           HA       SER 126 -13.708 -32.472  -5.982
  812    HG   SER 126           HG       SER 126 -12.609 -36.380  -5.919
  813    HB2  SER 126           HB2      SER 126 -11.781 -34.190  -6.247
  814    HB3  SER 126           HB3      SER 126 -12.882 -34.409  -4.885
  815    H    SER 127           HN       SER 127 -13.839 -34.930  -8.498
  816    HA   SER 127           HA       SER 127 -13.921 -33.087 -10.652
  817    HG   SER 127           HG       SER 127 -11.397 -35.709 -10.571
  818    HB2  SER 127           HB2      SER 127 -11.781 -33.804 -11.729
  819    HB3  SER 127           HB3      SER 127 -11.523 -32.889 -10.243
  820    H    SER 128           HN       SER 128 -13.944 -34.343 -12.775
  821    HA   SER 128           HA       SER 128 -15.281 -36.897 -12.297
  822    HG   SER 128           HG       SER 128 -15.630 -37.618 -14.885
  823    HB2  SER 128           HB2      SER 128 -16.411 -35.181 -13.694
  824    HB3  SER 128           HB3      SER 128 -15.081 -35.260 -14.847
  825    HHA  HEM 129           HHA      HEM 129  -6.404  17.331  -6.515
  826    HHB  HEM 129           HHB      HEM 129  -2.076  12.592  -5.963
  827    HHC  HEM 129           HHC      HEM 129  -5.097  10.492  -0.699
  828    HHD  HEM 129           HHD      HEM 129  -9.673  14.970  -1.502
  829    HAB  HEM 129           HAB      HEM 129  -2.271   9.844  -0.655
  830    HAC  HEM 129           HAC      HEM 129 -10.528  13.161   0.097
  831   HMA1  HEM 129          HMA1      HEM 129  -1.840  15.611  -8.409
  832   HMA2  HEM 129          HMA2      HEM 129  -1.075  14.869  -7.001
  833   HMA3  HEM 129          HMA3      HEM 129  -1.885  13.861  -8.216
  834   HAA1  HEM 129          HAA1      HEM 129  -3.985  17.816  -8.086
  835   HAA2  HEM 129          HAA2      HEM 129  -3.385  16.565  -8.650
  836   HBA1  HEM 129          HBA1      HEM 129  -4.087  16.171 -10.286
  837   HBA2  HEM 129          HBA2      HEM 129  -5.496  17.225 -10.050
  838   HMB1  HEM 129          HMB1      HEM 129  -0.198  11.215  -3.821
  839   HMB2  HEM 129          HMB2      HEM 129  -1.090   9.931  -4.873
  840   HMB3  HEM 129          HMB3      HEM 129  -0.986  10.036  -3.354
  841   HBB1  HEM 129          HBB1      HEM 129  -3.407   8.041  -2.828
  842   HBB2  HEM 129          HBB2      HEM 129  -2.332   7.571  -1.374
  843   HMC1  HEM 129          HMC1      HEM 129  -6.301  10.471   1.050
  844   HMC2  HEM 129          HMC2      HEM 129  -7.799  11.101   1.748
  845   HMC3  HEM 129          HMC3      HEM 129  -7.827   9.864   0.445
  846   HBC1  HEM 129          HBC1      HEM 129 -10.403  13.278   2.470
  847   HBC2  HEM 129          HBC2      HEM 129  -8.564  13.048   2.439
  848   HMD1  HEM 129          HMD1      HEM 129 -10.768  16.693  -2.057
  849   HMD2  HEM 129          HMD2      HEM 129 -10.893  17.983  -3.413
  850   HMD3  HEM 129          HMD3      HEM 129  -9.785  17.798  -2.396
  851   HAD1  HEM 129          HAD1      HEM 129  -8.393  19.136  -5.471
  852   HAD2  HEM 129          HAD2      HEM 129  -8.088  17.914  -6.301
  853   HBD1  HEM 129          HBD1      HEM 129 -10.260  19.002  -7.020
  854   HBD2  HEM 129          HBD2      HEM 129 -10.723  17.402  -6.407
  Start of MODEL   15
    1    HA   MET  21           HA       MET  21  15.444  -4.024  -6.213
    2    H1   MET  21           1H       MET  21  14.004  -3.575  -4.517
    3    HB2  MET  21           HB2      MET  21  17.028  -4.702  -4.500
    4    HB3  MET  21           HB3      MET  21  16.292  -6.291  -4.407
    5    HG2  MET  21           HG2      MET  21  16.993  -6.701  -6.749
    6    HG3  MET  21           HG3      MET  21  17.840  -5.152  -6.725
    7    HE1  MET  21           HE3      MET  21  20.181  -6.394  -7.379
    8    HE2  MET  21           HE1      MET  21  20.706  -7.867  -6.563
    9    HE3  MET  21           HE2      MET  21  19.207  -7.863  -7.490
   10    H    ALA  22           HN       ALA  22  14.732  -7.285  -5.107
   11    HA   ALA  22           HA       ALA  22  12.845  -8.037  -7.011
   12    HB1  ALA  22           HB3      ALA  22  14.218  -9.420  -8.532
   13    HB2  ALA  22           HB1      ALA  22  14.559  -7.695  -8.696
   14    HB3  ALA  22           HB2      ALA  22  15.677  -8.735  -7.812
   15    H    GLU  23           HN       GLU  23  15.122  -8.551  -4.625
   16    HA   GLU  23           HA       GLU  23  15.503 -10.081  -3.043
   17    HB2  GLU  23           HB2      GLU  23  12.960  -9.822  -2.889
   18    HB3  GLU  23           HB3      GLU  23  12.863 -11.355  -3.753
   19    HG2  GLU  23           HG2      GLU  23  12.660 -11.600  -1.313
   20    HG3  GLU  23           HG3      GLU  23  14.035 -12.481  -1.980
   21    H    GLN  24           HN       GLN  24  13.616 -12.553  -4.533
   22    HA   GLN  24           HA       GLN  24  14.986 -13.555  -6.605
   23    HB2  GLN  24           HB2      GLN  24  17.028 -13.592  -5.109
   24    HB3  GLN  24           HB3      GLN  24  16.235 -14.852  -4.171
   25    HG2  GLN  24           HG2      GLN  24  17.690 -15.949  -5.683
   26    HG3  GLN  24           HG3      GLN  24  16.055 -16.167  -6.308
   27   HE21  GLN  24          HE21      GLN  24  15.411 -15.055  -8.147
   28   HE22  GLN  24          HE22      GLN  24  16.548 -14.335  -9.232
   29    H    SER  25           HN       SER  25  13.628 -14.296  -3.536
   30    HA   SER  25           HA       SER  25  13.160 -17.048  -3.807
   31    HG   SER  25           HG       SER  25  10.917 -14.761  -1.579
   32    HB2  SER  25           HB2      SER  25  11.688 -16.700  -1.799
   33    HB3  SER  25           HB3      SER  25  13.321 -16.060  -1.625
   34    H    ASP  26           HN       ASP  26  10.730 -14.442  -3.671
   35    HA   ASP  26           HA       ASP  26   9.096 -15.890  -5.587
   36    HB2  ASP  26           HB2      ASP  26   7.179 -16.058  -4.049
   37    HB3  ASP  26           HB3      ASP  26   8.557 -16.991  -3.478
   38    H    GLU  27           HN       GLU  27  10.260 -13.047  -4.627
   39    HA   GLU  27           HA       GLU  27   9.761 -10.865  -4.920
   40    HB2  GLU  27           HB2      GLU  27   9.074 -11.433  -7.168
   41    HB3  GLU  27           HB3      GLU  27   7.496 -11.955  -6.597
   42    HG2  GLU  27           HG2      GLU  27   7.179  -9.826  -7.540
   43    HG3  GLU  27           HG3      GLU  27   7.153  -9.587  -5.794
   44    H    ALA  28           HN       ALA  28   6.532 -12.338  -4.758
   45    HA   ALA  28           HA       ALA  28   4.755 -12.056  -3.388
   46    HB1  ALA  28           HB3      ALA  28   5.165 -11.666  -1.013
   47    HB2  ALA  28           HB1      ALA  28   6.283 -12.861  -1.664
   48    HB3  ALA  28           HB2      ALA  28   6.834 -11.213  -1.369
   49    H    VAL  29           HN       VAL  29   3.824 -10.353  -1.714
   50    HA   VAL  29           HA       VAL  29   4.420  -7.642  -2.671
   51    HB   VAL  29           HB       VAL  29   1.643  -8.615  -1.942
   52   HG11  VAL  29          HG11      VAL  29   2.556  -6.114  -3.357
   53   HG12  VAL  29          HG12      VAL  29   0.888  -6.552  -2.986
   54   HG13  VAL  29          HG13      VAL  29   2.026  -6.216  -1.678
   55   HG21  VAL  29          HG23      VAL  29   1.123  -8.577  -4.355
   56   HG22  VAL  29          HG21      VAL  29   2.831  -8.301  -4.698
   57   HG23  VAL  29          HG22      VAL  29   2.319  -9.805  -3.938
   58    H    LYS  30           HN       LYS  30   5.101  -6.445  -0.954
   59    HA   LYS  30           HA       LYS  30   5.001  -7.433   1.672
   60    HB2  LYS  30           HB2      LYS  30   5.398  -4.554   0.840
   61    HB3  LYS  30           HB3      LYS  30   5.768  -5.238   2.417
   62    HG2  LYS  30           HG2      LYS  30   7.380  -6.777   1.234
   63    HG3  LYS  30           HG3      LYS  30   7.137  -5.780  -0.199
   64    HD2  LYS  30           HD2      LYS  30   9.099  -4.996   0.957
   65    HD3  LYS  30           HD3      LYS  30   7.819  -3.792   1.131
   66    HE2  LYS  30           HE2      LYS  30   7.290  -4.715   3.356
   67    HE3  LYS  30           HE3      LYS  30   8.617  -5.860   3.181
   68    HZ1  LYS  30           HZ3      LYS  30   8.903  -2.899   3.204
   69    HZ2  LYS  30           HZ1      LYS  30  10.164  -4.019   3.091
   70    HZ3  LYS  30           HZ2      LYS  30   9.244  -3.931   4.507
   71    H    TYR  31           HN       TYR  31   3.341  -7.637   2.939
   72    HA   TYR  31           HA       TYR  31   1.027  -5.891   2.552
   73    HD1  TYR  31           HD2      TYR  31  -0.525  -7.178   1.177
   74    HD2  TYR  31           HD1      TYR  31   1.539 -10.381   3.065
   75    HE1  TYR  31           HE2      TYR  31  -0.858  -8.560  -0.824
   76    HE2  TYR  31           HE1      TYR  31   1.217 -11.777   1.065
   77    HH   TYR  31           HH       TYR  31  -0.224 -10.436  -1.883
   78    HB2  TYR  31           HB2      TYR  31   1.232  -8.401   4.225
   79    HB3  TYR  31           HB3      TYR  31  -0.237  -7.511   3.848
   80    H    TYR  32           HN       TYR  32  -0.019  -4.955   4.371
   81    HA   TYR  32           HA       TYR  32   1.414  -5.059   6.921
   82    HD1  TYR  32           HD1      TYR  32   3.118  -3.098   8.011
   83    HD2  TYR  32           HD2      TYR  32   2.174  -2.366   3.929
   84    HE1  TYR  32           HE1      TYR  32   5.484  -2.611   7.559
   85    HE2  TYR  32           HE2      TYR  32   4.542  -1.874   3.466
   86    HH   TYR  32           HH       TYR  32   6.543  -1.216   4.603
   87    HB2  TYR  32           HB2      TYR  32   0.430  -2.563   5.524
   88    HB3  TYR  32           HB3      TYR  32   0.778  -2.609   7.251
   89    H    THR  33           HN       THR  33  -0.005  -4.893   8.756
   90    HA   THR  33           HA       THR  33  -2.616  -5.955   8.116
   91    HB   THR  33           HB       THR  33  -2.925  -6.063  10.593
   92    HG1  THR  33           HG1      THR  33  -0.249  -5.044  10.606
   93   HG21  THR  33          HG23      THR  33  -0.343  -7.261   9.575
   94   HG22  THR  33          HG21      THR  33  -1.955  -7.947   9.350
   95   HG23  THR  33          HG22      THR  33  -1.266  -7.817  10.969
   96    H    LEU  34           HN       LEU  34  -4.641  -5.030   8.940
   97    HA   LEU  34           HA       LEU  34  -5.001  -2.303   8.488
   98    HG   LEU  34           HG       LEU  34  -7.116  -1.667  10.671
   99    HB2  LEU  34           HB2      LEU  34  -6.875  -3.889   8.631
  100    HB3  LEU  34           HB3      LEU  34  -6.576  -4.112  10.340
  101   HD11  LEU  34          HD11      LEU  34  -8.308  -0.506   8.925
  102   HD12  LEU  34          HD12      LEU  34  -6.714  -0.980   8.336
  103   HD13  LEU  34          HD13      LEU  34  -8.144  -1.889   7.846
  104   HD21  LEU  34          HD23      LEU  34  -9.292  -3.375   9.469
  105   HD22  LEU  34          HD21      LEU  34  -8.715  -3.480  11.133
  106   HD23  LEU  34          HD22      LEU  34  -9.513  -2.013  10.568
  107    H    GLU  35           HN       GLU  35  -4.258  -4.066  11.403
  108    HA   GLU  35           HA       GLU  35  -4.791  -2.162  13.327
  109    HB2  GLU  35           HB2      GLU  35  -4.363  -4.582  13.672
  110    HB3  GLU  35           HB3      GLU  35  -2.649  -4.285  13.415
  111    HG2  GLU  35           HG2      GLU  35  -3.750  -2.536  15.436
  112    HG3  GLU  35           HG3      GLU  35  -4.022  -4.234  15.814
  113    H    GLU  36           HN       GLU  36  -1.775  -2.728  11.566
  114    HA   GLU  36           HA       GLU  36  -0.344  -0.841  13.216
  115    HB2  GLU  36           HB2      GLU  36   1.606  -1.499  11.930
  116    HB3  GLU  36           HB3      GLU  36   0.704  -2.919  12.433
  117    HG2  GLU  36           HG2      GLU  36  -0.336  -2.956  10.159
  118    HG3  GLU  36           HG3      GLU  36   0.802  -1.693   9.697
  119    H    ILE  37           HN       ILE  37  -2.042  -0.812  10.251
  120    HA   ILE  37           HA       ILE  37  -0.891   1.680   9.296
  121    HB   ILE  37           HB       ILE  37  -3.253   0.076   8.278
  122   HG12  ILE  37          HG12      ILE  37  -0.451   0.331   7.156
  123   HG13  ILE  37          HG13      ILE  37  -1.022  -1.040   8.093
  124   HG21  ILE  37          HG21      ILE  37  -1.825   2.426   7.044
  125   HG22  ILE  37          HG22      ILE  37  -3.082   1.465   6.264
  126   HG23  ILE  37          HG23      ILE  37  -3.464   2.419   7.696
  127   HD11  ILE  37          HD13      ILE  37  -1.051  -1.565   5.743
  128   HD12  ILE  37          HD11      ILE  37  -2.705  -1.499   6.358
  129   HD13  ILE  37          HD12      ILE  37  -2.061  -0.158   5.411
  130    H    GLN  38           HN       GLN  38  -3.690   0.494  10.994
  131    HA   GLN  38           HA       GLN  38  -5.214   2.869  11.099
  132    HB2  GLN  38           HB2      GLN  38  -5.949   0.520  11.738
  133    HB3  GLN  38           HB3      GLN  38  -5.025   0.715  13.221
  134    HG2  GLN  38           HG2      GLN  38  -7.333   1.140  13.675
  135    HG3  GLN  38           HG3      GLN  38  -6.443   2.658  13.801
  136   HE21  GLN  38          HE21      GLN  38  -6.687   4.208  12.144
  137   HE22  GLN  38          HE22      GLN  38  -8.059   4.192  11.094
  138    H    LYS  39           HN       LYS  39  -2.302   1.892  12.519
  139    HA   LYS  39           HA       LYS  39  -2.506   3.667  14.824
  140    HB2  LYS  39           HB2      LYS  39  -1.731   1.183  14.791
  141    HB3  LYS  39           HB3      LYS  39  -0.218   1.838  14.181
  142    HG2  LYS  39           HG2      LYS  39   0.259   2.920  16.170
  143    HG3  LYS  39           HG3      LYS  39  -1.428   2.900  16.701
  144    HD2  LYS  39           HD2      LYS  39   0.363   0.484  16.426
  145    HD3  LYS  39           HD3      LYS  39  -0.065   1.277  17.944
  146    HE2  LYS  39           HE2      LYS  39  -2.402   0.725  17.618
  147    HE3  LYS  39           HE3      LYS  39  -2.056   0.053  16.029
  148    HZ1  LYS  39           HZ3      LYS  39  -0.928  -1.753  16.972
  149    HZ2  LYS  39           HZ1      LYS  39  -2.331  -1.581  17.902
  150    HZ3  LYS  39           HZ2      LYS  39  -0.851  -1.028  18.510
  151    H    HIS  40           HN       HIS  40  -1.497   3.741  11.686
  152    HA   HIS  40           HA       HIS  40   0.584   5.755  12.211
  153    HD1  HIS  40           HD1      HIS  40   1.975   2.067   9.860
  154    HD2  HIS  40           HD2      HIS  40   2.830   5.131  12.523
  155    HE1  HIS  40           HE1      HIS  40   4.064   1.351  11.066
  156    HE2  HIS  40           HE2      HIS  40   4.687   3.324  12.500
  157    HB2  HIS  40           HB2      HIS  40   0.185   3.850   9.902
  158    HB3  HIS  40           HB3      HIS  40   1.148   5.307   9.719
  159    H    ASN  41           HN       ASN  41  -2.076   6.383  12.488
  160    HA   ASN  41           HA       ASN  41  -2.949   7.763  10.036
  161    HB2  ASN  41           HB2      ASN  41  -5.149   7.760  11.076
  162    HB3  ASN  41           HB3      ASN  41  -4.482   6.132  11.153
  163   HD21  ASN  41          HD21      ASN  41  -6.534   7.401  12.822
  164   HD22  ASN  41          HD22      ASN  41  -5.957   7.300  14.448
  165    H    HIS  42           HN       HIS  42  -0.845   8.761  11.880
  166    HA   HIS  42           HA       HIS  42  -2.169  11.132  12.973
  167    HD1  HIS  42           HD1      HIS  42   1.213   9.317  13.111
  168    HD2  HIS  42           HD2      HIS  42  -0.754   7.777  16.432
  169    HE1  HIS  42           HE1      HIS  42   2.649   7.415  13.919
  170    HE2  HIS  42           HE2      HIS  42   1.366   6.415  15.850
  171    HB2  HIS  42           HB2      HIS  42  -0.862  10.860  15.092
  172    HB3  HIS  42           HB3      HIS  42  -2.102   9.638  14.845
  173    H    SER  43           HN       SER  43  -0.058  12.246  14.298
  174    HA   SER  43           HA       SER  43   1.081  13.775  12.296
  175    HG   SER  43           HG       SER  43   1.047  13.101  15.964
  176    HB2  SER  43           HB2      SER  43   2.550  14.624  14.179
  177    HB3  SER  43           HB3      SER  43   0.819  14.634  14.502
  178    H    LYS  44           HN       LYS  44   2.829  11.487  14.385
  179    HA   LYS  44           HA       LYS  44   5.373  11.805  13.396
  180    HB2  LYS  44           HB2      LYS  44   3.998   9.728  14.961
  181    HB3  LYS  44           HB3      LYS  44   5.453   9.192  14.138
  182    HG2  LYS  44           HG2      LYS  44   6.031   9.887  16.346
  183    HG3  LYS  44           HG3      LYS  44   6.684  11.055  15.200
  184    HD2  LYS  44           HD2      LYS  44   4.766  12.528  15.644
  185    HD3  LYS  44           HD3      LYS  44   4.165  11.368  16.829
  186    HE2  LYS  44           HE2      LYS  44   6.349  11.619  18.040
  187    HE3  LYS  44           HE3      LYS  44   6.732  12.937  16.938
  188    HZ1  LYS  44           HZ3      LYS  44   4.929  14.209  17.758
  189    HZ2  LYS  44           HZ1      LYS  44   5.765  13.618  19.114
  190    HZ3  LYS  44           HZ2      LYS  44   4.305  12.898  18.634
  191    H    SER  45           HN       SER  45   2.806   9.937  12.025
  192    HA   SER  45           HA       SER  45   4.159   9.672   9.566
  193    HG   SER  45           HG       SER  45   4.777   7.573   8.504
  194    HB2  SER  45           HB2      SER  45   5.313   7.831  10.758
  195    HB3  SER  45           HB3      SER  45   3.757   7.093  11.113
  196    H    THR  46           HN       THR  46   2.667   9.417   7.945
  197    HA   THR  46           HA       THR  46  -0.072   8.794   8.820
  198    HB   THR  46           HB       THR  46   0.669  10.763   6.651
  199    HG1  THR  46           HG1      THR  46   0.293  11.062   9.425
  200   HG21  THR  46          HG23      THR  46  -1.940  10.129   8.036
  201   HG22  THR  46          HG21      THR  46  -1.534   9.796   6.354
  202   HG23  THR  46          HG22      THR  46  -1.697  11.462   6.911
  203    H    TRP  47           HN       TRP  47  -0.485   6.822   8.051
  204    HA   TRP  47           HA       TRP  47   0.075   6.289   5.208
  205    HD1  TRP  47           HD1      TRP  47   2.235   6.344   6.036
  206    HE1  TRP  47           HE1      TRP  47   4.532   5.279   6.444
  207    HE3  TRP  47           HE3      TRP  47   0.706   1.675   7.442
  208    HZ2  TRP  47           HZ2      TRP  47   5.560   2.788   7.280
  209    HZ3  TRP  47           HZ3      TRP  47   2.413   0.006   8.036
  210    HH2  TRP  47           HH2      TRP  47   4.791   0.552   7.954
  211    HB2  TRP  47           HB2      TRP  47  -0.431   4.356   7.479
  212    HB3  TRP  47           HB3      TRP  47  -0.375   3.880   5.787
  213    H    LEU  48           HN       LEU  48  -1.616   5.800   3.867
  214    HA   LEU  48           HA       LEU  48  -4.257   5.509   5.125
  215    HG   LEU  48           HG       LEU  48  -3.604   6.356   1.596
  216    HB2  LEU  48           HB2      LEU  48  -5.314   6.875   3.470
  217    HB3  LEU  48           HB3      LEU  48  -4.017   7.800   4.198
  218   HD11  LEU  48          HD11      LEU  48  -4.181   8.409   0.433
  219   HD12  LEU  48          HD12      LEU  48  -5.565   7.787   1.327
  220   HD13  LEU  48          HD13      LEU  48  -4.653   9.155   1.959
  221   HD21  LEU  48          HD23      LEU  48  -1.881   8.035   1.279
  222   HD22  LEU  48          HD21      LEU  48  -2.327   8.807   2.802
  223   HD23  LEU  48          HD22      LEU  48  -1.634   7.185   2.807
  224    H    ILE  49           HN       ILE  49  -5.863   4.797   3.274
  225    HA   ILE  49           HA       ILE  49  -4.523   3.006   1.379
  226    HB   ILE  49           HB       ILE  49  -6.997   2.143   2.887
  227   HG12  ILE  49          HG12      ILE  49  -4.131   1.433   3.582
  228   HG13  ILE  49          HG13      ILE  49  -5.163   2.509   4.518
  229   HG21  ILE  49          HG21      ILE  49  -6.590   0.970   0.819
  230   HG22  ILE  49          HG22      ILE  49  -4.923   0.639   1.292
  231   HG23  ILE  49          HG23      ILE  49  -6.253  -0.106   2.175
  232   HD11  ILE  49          HD13      ILE  49  -6.701   0.652   4.935
  233   HD12  ILE  49          HD11      ILE  49  -5.639  -0.420   4.022
  234   HD13  ILE  49          HD12      ILE  49  -5.073   0.311   5.524
  235    H    LEU  50           HN       LEU  50  -5.828   2.671  -0.559
  236    HA   LEU  50           HA       LEU  50  -8.178   4.433  -0.737
  237    HG   LEU  50           HG       LEU  50  -5.975   6.254  -0.723
  238    HB2  LEU  50           HB2      LEU  50  -5.718   4.501  -2.424
  239    HB3  LEU  50           HB3      LEU  50  -7.259   4.956  -3.126
  240   HD11  LEU  50          HD11      LEU  50  -6.340   7.255  -3.545
  241   HD12  LEU  50          HD12      LEU  50  -5.673   8.176  -2.195
  242   HD13  LEU  50          HD13      LEU  50  -4.813   6.764  -2.812
  243   HD21  LEU  50          HD23      LEU  50  -8.434   6.250  -0.632
  244   HD22  LEU  50          HD21      LEU  50  -7.780   7.871  -0.869
  245   HD23  LEU  50          HD22      LEU  50  -8.481   6.996  -2.229
  246    H    HIS  51           HN       HIS  51  -6.829   1.472  -1.343
  247    HA   HIS  51           HA       HIS  51  -9.077   0.305  -2.439
  248    HD1  HIS  51           HD1      HIS  51  -5.892  -0.517  -5.713
  249    HD2  HIS  51           HD2      HIS  51  -6.624   3.323  -4.296
  250    HE1  HIS  51           HE1      HIS  51  -3.899   0.853  -6.407
  251    HE2  HIS  51           HE2      HIS  51  -4.272   3.118  -5.363
  252    HB2  HIS  51           HB2      HIS  51  -8.189  -0.256  -4.755
  253    HB3  HIS  51           HB3      HIS  51  -8.767   1.383  -4.532
  254    H    HIS  52           HN       HIS  52  -7.742  -0.497  -0.415
  255    HA   HIS  52           HA       HIS  52  -6.891  -2.400   0.527
  256    HD1  HIS  52           HD1      HIS  52  -8.386  -4.639  -3.349
  257    HD2  HIS  52           HD2      HIS  52  -9.239  -3.266   0.490
  258    HE1  HIS  52           HE1      HIS  52 -10.877  -4.904  -3.071
  259    HE2  HIS  52           HE2      HIS  52 -11.380  -3.989  -0.773
  260    HB2  HIS  52           HB2      HIS  52  -6.463  -3.408  -2.287
  261    HB3  HIS  52           HB3      HIS  52  -6.355  -4.370  -0.819
  262    H    LYS  53           HN       LYS  53  -5.096  -0.599  -1.791
  263    HA   LYS  53           HA       LYS  53  -2.563  -1.698  -0.845
  264    HB2  LYS  53           HB2      LYS  53  -3.069   0.388  -2.979
  265    HB3  LYS  53           HB3      LYS  53  -1.509  -0.319  -2.581
  266    HG2  LYS  53           HG2      LYS  53  -2.351  -2.515  -3.249
  267    HG3  LYS  53           HG3      LYS  53  -3.882  -1.776  -3.718
  268    HD2  LYS  53           HD2      LYS  53  -2.870  -1.715  -5.747
  269    HD3  LYS  53           HD3      LYS  53  -2.165  -0.232  -5.101
  270    HE2  LYS  53           HE2      LYS  53  -0.388  -1.512  -6.030
  271    HE3  LYS  53           HE3      LYS  53  -0.244  -1.615  -4.278
  272    HZ1  LYS  53           HZ3      LYS  53  -1.565  -3.770  -4.516
  273    HZ2  LYS  53           HZ1      LYS  53   0.056  -3.782  -5.022
  274    HZ3  LYS  53           HZ2      LYS  53  -1.178  -3.681  -6.167
  275    H    VAL  54           HN       VAL  54  -1.305  -0.685   0.606
  276    HA   VAL  54           HA       VAL  54  -2.379   1.680   1.896
  277    HB   VAL  54           HB       VAL  54  -1.557  -0.085   3.341
  278   HG11  VAL  54          HG11      VAL  54   0.077  -1.119   1.918
  279   HG12  VAL  54          HG12      VAL  54   1.096   0.319   1.980
  280   HG13  VAL  54          HG13      VAL  54   0.848  -0.647   3.435
  281   HG21  VAL  54          HG23      VAL  54   0.254   2.328   3.439
  282   HG22  VAL  54          HG21      VAL  54  -1.338   2.180   4.189
  283   HG23  VAL  54          HG22      VAL  54   0.001   1.184   4.756
  284    H    TYR  55           HN       TYR  55  -1.507   3.678   1.894
  285    HA   TYR  55           HA       TYR  55   0.861   4.125   0.188
  286    HD1  TYR  55           HD2      TYR  55  -2.570   3.624  -0.482
  287    HD2  TYR  55           HD1      TYR  55  -0.119   6.495  -2.438
  288    HE1  TYR  55           HE2      TYR  55  -3.505   2.938  -2.654
  289    HE2  TYR  55           HE1      TYR  55  -1.056   5.835  -4.604
  290    HH   TYR  55           HH       TYR  55  -2.163   4.052  -5.656
  291    HB2  TYR  55           HB2      TYR  55  -1.553   5.892   0.627
  292    HB3  TYR  55           HB3      TYR  55  -0.084   6.431  -0.170
  293    H    ASP  56           HN       ASP  56   2.203   5.943   0.806
  294    HA   ASP  56           HA       ASP  56   1.913   6.764   3.625
  295    HB2  ASP  56           HB2      ASP  56   3.962   5.443   3.250
  296    HB3  ASP  56           HB3      ASP  56   4.452   6.546   1.975
  297    H    LEU  57           HN       LEU  57   2.186   8.999   4.104
  298    HA   LEU  57           HA       LEU  57   2.394  10.756   1.736
  299    HG   LEU  57           HG       LEU  57  -0.252   9.719   3.031
  300    HB2  LEU  57           HB2      LEU  57   1.040  11.494   4.325
  301    HB3  LEU  57           HB3      LEU  57   1.064  12.418   2.846
  302   HD11  LEU  57          HD11      LEU  57  -1.481  12.447   3.397
  303   HD12  LEU  57          HD12      LEU  57  -2.375  10.936   3.218
  304   HD13  LEU  57          HD13      LEU  57  -1.342  11.189   4.625
  305   HD21  LEU  57          HD23      LEU  57  -1.395  10.450   1.025
  306   HD22  LEU  57          HD21      LEU  57  -0.561  12.002   1.088
  307   HD23  LEU  57          HD22      LEU  57   0.351  10.522   0.790
  308    H    THR  58           HN       THR  58   2.716  10.947   5.234
  309    HA   THR  58           HA       THR  58   4.048  12.102   6.620
  310    HB   THR  58           HB       THR  58   6.532  11.725   6.254
  311    HG1  THR  58           HG1      THR  58   5.713   9.918   4.204
  312   HG21  THR  58          HG23      THR  58   6.392   9.337   6.771
  313   HG22  THR  58          HG21      THR  58   4.722   9.305   6.212
  314   HG23  THR  58          HG22      THR  58   5.153  10.245   7.641
  315    H    LYS  59           HN       LYS  59   6.143  12.717   3.835
  316    HA   LYS  59           HA       LYS  59   6.307  15.489   4.545
  317    HB2  LYS  59           HB2      LYS  59   7.704  15.694   2.520
  318    HB3  LYS  59           HB3      LYS  59   8.240  14.406   3.585
  319    HG2  LYS  59           HG2      LYS  59   7.132  12.768   2.110
  320    HG3  LYS  59           HG3      LYS  59   6.687  14.084   1.022
  321    HD2  LYS  59           HD2      LYS  59   9.036  14.624   0.682
  322    HD3  LYS  59           HD3      LYS  59   9.502  13.352   1.813
  323    HE2  LYS  59           HE2      LYS  59   8.458  11.692   0.313
  324    HE3  LYS  59           HE3      LYS  59   8.108  12.984  -0.834
  325    HZ1  LYS  59           HZ3      LYS  59  10.838  12.310   0.112
  326    HZ2  LYS  59           HZ1      LYS  59  10.428  13.379  -1.137
  327    HZ3  LYS  59           HZ2      LYS  59  10.166  11.711  -1.328
  328    H    PHE  60           HN       PHE  60   4.382  13.550   2.514
  329    HA   PHE  60           HA       PHE  60   3.885  15.286   0.383
  330    HD1  PHE  60           HD2      PHE  60   3.811  14.353  -1.750
  331    HD2  PHE  60           HD1      PHE  60   0.143  13.044  -0.027
  332    HE1  PHE  60           HE2      PHE  60   2.696  14.632  -3.923
  333    HE2  PHE  60           HE1      PHE  60  -0.974  13.321  -2.202
  334    HZ   PHE  60           HZ       PHE  60   0.303  14.114  -4.153
  335    HB2  PHE  60           HB2      PHE  60   3.529  12.776   0.462
  336    HB3  PHE  60           HB3      PHE  60   2.014  13.110   1.291
  337    H    LEU  61           HN       LEU  61   2.731  15.279   3.505
  338    HA   LEU  61           HA       LEU  61   0.043  15.855   3.452
  339    HG   LEU  61           HG       LEU  61   2.160  14.402   5.354
  340    HB2  LEU  61           HB2      LEU  61   2.165  16.843   5.354
  341    HB3  LEU  61           HB3      LEU  61   0.443  16.880   5.680
  342   HD11  LEU  61          HD11      LEU  61   1.708  14.088   7.710
  343   HD12  LEU  61          HD12      LEU  61   2.466  15.657   7.442
  344   HD13  LEU  61          HD13      LEU  61   0.733  15.554   7.747
  345   HD21  LEU  61          HD23      LEU  61  -0.098  14.030   4.469
  346   HD22  LEU  61          HD21      LEU  61   0.144  13.165   5.986
  347   HD23  LEU  61          HD22      LEU  61  -0.793  14.661   5.965
  348    H    GLU  62           HN       GLU  62   2.717  17.937   2.828
  349    HA   GLU  62           HA       GLU  62   1.206  20.410   3.168
  350    HB2  GLU  62           HB2      GLU  62   4.086  20.108   2.344
  351    HB3  GLU  62           HB3      GLU  62   3.322  21.475   3.146
  352    HG2  GLU  62           HG2      GLU  62   3.034  20.135   5.161
  353    HG3  GLU  62           HG3      GLU  62   3.784  18.758   4.354
  354    H    GLU  63           HN       GLU  63   2.056  18.240   0.725
  355    HA   GLU  63           HA       GLU  63   2.505  20.299  -1.329
  356    HB2  GLU  63           HB2      GLU  63   3.166  17.352  -1.208
  357    HB3  GLU  63           HB3      GLU  63   3.412  18.349  -2.638
  358    HG2  GLU  63           HG2      GLU  63   4.642  19.050   0.004
  359    HG3  GLU  63           HG3      GLU  63   5.413  17.930  -1.122
  360    H    HIS  64           HN       HIS  64   0.229  18.042  -0.246
  361    HA   HIS  64           HA       HIS  64  -0.973  17.543  -2.779
  362    HD1  HIS  64           HD1      HIS  64  -4.281  16.906   0.098
  363    HD2  HIS  64           HD2      HIS  64  -2.760  14.710  -3.145
  364    HE1  HIS  64           HE1      HIS  64  -6.246  15.632  -0.915
  365    HB2  HIS  64           HB3      HIS  64  -0.992  15.789  -1.164
  366    HB3  HIS  64           HB2      HIS  64  -1.724  16.791   0.044
  367    HA   PRO  65           HA       PRO  65  -3.329  21.363  -2.822
  368    HB2  PRO  65           HB2      PRO  65  -5.192  20.511  -4.688
  369    HB3  PRO  65           HB3      PRO  65  -3.611  21.198  -5.071
  370    HG2  PRO  65           HG2      PRO  65  -4.467  18.336  -4.969
  371    HG3  PRO  65           HG3      PRO  65  -3.372  19.146  -6.105
  372    HD2  PRO  65           HD2      PRO  65  -2.439  17.604  -4.123
  373    HD3  PRO  65           HD3      PRO  65  -1.590  19.077  -4.636
  374    H    GLY  66           HN       GLY  66  -4.767  18.241  -2.274
  375    HA2  GLY  66           HA1      GLY  66  -7.472  19.047  -2.070
  376    HA3  GLY  66           HA2      GLY  66  -6.809  17.511  -1.549
  377    H    GLY  67           HN       GLY  67  -4.954  19.463   0.162
  378    HA2  GLY  67           HA1      GLY  67  -5.780  20.979   2.006
  379    HA3  GLY  67           HA2      GLY  67  -6.925  19.692   2.350
  380    H    GLU  68           HN       GLU  68  -4.622  21.002   3.844
  381    HA   GLU  68           HA       GLU  68  -2.578  19.091   4.248
  382    HB2  GLU  68           HB2      GLU  68  -2.432  21.504   4.877
  383    HB3  GLU  68           HB3      GLU  68  -3.596  21.206   6.163
  384    HG2  GLU  68           HG2      GLU  68  -1.982  19.542   7.111
  385    HG3  GLU  68           HG3      GLU  68  -0.803  20.116   5.934
  386    H    GLU  69           HN       GLU  69  -5.304  20.003   6.320
  387    HA   GLU  69           HA       GLU  69  -4.664  18.090   8.300
  388    HB2  GLU  69           HB2      GLU  69  -7.191  19.710   7.960
  389    HB3  GLU  69           HB3      GLU  69  -6.695  18.863   9.420
  390    HG2  GLU  69           HG2      GLU  69  -4.591  20.302   9.327
  391    HG3  GLU  69           HG3      GLU  69  -5.478  21.291   8.164
  392    H    VAL  70           HN       VAL  70  -6.765  18.065   5.569
  393    HA   VAL  70           HA       VAL  70  -8.671  16.188   6.533
  394    HB   VAL  70           HB       VAL  70  -9.097  17.931   4.788
  395   HG11  VAL  70          HG11      VAL  70  -8.566  17.426   2.454
  396   HG12  VAL  70          HG12      VAL  70  -7.116  17.668   3.428
  397   HG13  VAL  70          HG13      VAL  70  -7.615  16.039   2.977
  398   HG21  VAL  70          HG23      VAL  70  -9.813  15.132   3.931
  399   HG22  VAL  70          HG21      VAL  70 -10.660  16.069   5.160
  400   HG23  VAL  70          HG22      VAL  70 -10.649  16.618   3.482
  401    H    LEU  71           HN       LEU  71  -5.562  15.810   5.182
  402    HA   LEU  71           HA       LEU  71  -5.910  13.241   4.006
  403    HG   LEU  71           HG       LEU  71  -4.382  15.762   3.059
  404    HB2  LEU  71           HB2      LEU  71  -3.482  14.685   5.061
  405    HB3  LEU  71           HB3      LEU  71  -3.403  13.150   4.223
  406   HD11  LEU  71          HD11      LEU  71  -1.915  15.545   3.363
  407   HD12  LEU  71          HD12      LEU  71  -1.960  14.123   2.320
  408   HD13  LEU  71          HD13      LEU  71  -2.424  15.704   1.684
  409   HD21  LEU  71          HD23      LEU  71  -4.573  14.546   0.955
  410   HD22  LEU  71          HD21      LEU  71  -4.135  13.046   1.776
  411   HD23  LEU  71          HD22      LEU  71  -5.641  13.865   2.181
  412    H    ARG  72           HN       ARG  72  -4.741  14.442   7.052
  413    HA   ARG  72           HA       ARG  72  -3.747  12.182   8.274
  414    HE   ARG  72           HE       ARG  72  -5.380  16.296   9.790
  415    HB2  ARG  72           HB2      ARG  72  -5.206  14.351   9.781
  416    HB3  ARG  72           HB3      ARG  72  -3.864  13.373  10.330
  417    HG2  ARG  72           HG2      ARG  72  -2.327  14.556   8.979
  418    HG3  ARG  72           HG3      ARG  72  -3.624  15.377   8.104
  419    HD2  ARG  72           HD2      ARG  72  -2.897  15.712  11.021
  420    HD3  ARG  72           HD3      ARG  72  -2.665  16.894   9.734
  421   HH11  ARG  72          HH12      ARG  72  -3.037  17.801  11.959
  422   HH12  ARG  72          HH11      ARG  72  -4.240  18.762  12.778
  423   HH21  ARG  72          HH22      ARG  72  -6.936  17.566  10.877
  424   HH22  ARG  72          HH21      ARG  72  -6.444  18.638  12.146
  425    H    GLU  73           HN       GLU  73  -7.030  13.390   8.173
  426    HA   GLU  73           HA       GLU  73  -7.901  11.868  10.444
  427    HB2  GLU  73           HB2      GLU  73  -8.666  14.200   9.771
  428    HB3  GLU  73           HB3      GLU  73  -9.587  13.435   8.486
  429    HG2  GLU  73           HG2      GLU  73 -10.984  12.312  10.041
  430    HG3  GLU  73           HG3      GLU  73  -9.944  12.754  11.394
  431    H    GLN  74           HN       GLN  74  -7.864  11.491   7.033
  432    HA   GLN  74           HA       GLN  74  -9.910   9.397   7.035
  433    HB2  GLN  74           HB2      GLN  74  -8.445  10.873   4.853
  434    HB3  GLN  74           HB3      GLN  74  -9.507   9.508   4.534
  435    HG2  GLN  74           HG2      GLN  74 -10.337  12.064   5.890
  436    HG3  GLN  74           HG3      GLN  74 -10.588  11.687   4.185
  437   HE21  GLN  74          HE21      GLN  74 -12.092  10.121   3.621
  438   HE22  GLN  74          HE22      GLN  74 -13.316   9.570   4.710
  439    H    ALA  75           HN       ALA  75  -6.802   9.567   7.752
  440    HA   ALA  75           HA       ALA  75  -5.753   7.387   6.176
  441    HB1  ALA  75           HB3      ALA  75  -3.706   7.741   7.445
  442    HB2  ALA  75           HB1      ALA  75  -4.321   9.264   6.808
  443    HB3  ALA  75           HB2      ALA  75  -4.546   8.867   8.510
  444    H    GLY  76           HN       GLY  76  -5.219   5.370   6.924
  445    HA2  GLY  76           HA1      GLY  76  -5.032   3.775   8.741
  446    HA3  GLY  76           HA2      GLY  76  -6.346   4.625   9.537
  447    H    GLY  77           HN       GLY  77  -6.932   4.397   6.258
  448    HA2  GLY  77           HA1      GLY  77  -7.788   1.760   5.910
  449    HA3  GLY  77           HA2      GLY  77  -9.146   2.694   6.535
  450    H    ASP  78           HN       ASP  78  -9.785   1.823   4.197
  451    HA   ASP  78           HA       ASP  78  -8.713   3.256   1.990
  452    HB2  ASP  78           HB2      ASP  78 -11.283   1.683   2.270
  453    HB3  ASP  78           HB3      ASP  78 -10.834   2.512   0.784
  454    H    ALA  79           HN       ALA  79  -8.876   5.351   1.721
  455    HA   ALA  79           HA       ALA  79 -11.120   6.836   2.828
  456    HB1  ALA  79           HB3      ALA  79  -9.959   8.824   1.975
  457    HB2  ALA  79           HB1      ALA  79  -8.885   7.823   2.952
  458    HB3  ALA  79           HB2      ALA  79  -8.764   7.792   1.192
  459    H    THR  80           HN       THR  80 -11.436   4.857   0.628
  460    HA   THR  80           HA       THR  80 -11.668   6.276  -1.820
  461    HB   THR  80           HB       THR  80 -11.087   3.939  -1.826
  462    HG1  THR  80           HG1      THR  80 -13.674   4.351  -2.954
  463   HG21  THR  80          HG23      THR  80 -13.820   3.485  -0.640
  464   HG22  THR  80          HG21      THR  80 -12.264   3.165   0.128
  465   HG23  THR  80          HG22      THR  80 -12.774   2.215  -1.267
  466    H    GLU  81           HN       GLU  81 -13.613   6.497   0.830
  467    HA   GLU  81           HA       GLU  81 -16.227   6.601  -0.145
  468    HB2  GLU  81           HB2      GLU  81 -15.057   8.814   1.547
  469    HB3  GLU  81           HB3      GLU  81 -16.710   8.238   1.513
  470    HG2  GLU  81           HG2      GLU  81 -16.045   6.186   2.617
  471    HG3  GLU  81           HG3      GLU  81 -14.363   6.725   2.621
  472    H    ASN  82           HN       ASN  82 -13.644   8.988  -0.233
  473    HA   ASN  82           HA       ASN  82 -15.192  10.917  -1.711
  474    HB2  ASN  82           HB2      ASN  82 -12.310  10.827  -0.789
  475    HB3  ASN  82           HB3      ASN  82 -12.976  12.171  -1.711
  476   HD21  ASN  82          HD21      ASN  82 -14.898  10.464   0.636
  477   HD22  ASN  82          HD22      ASN  82 -14.916  11.708   1.835
  478    H    PHE  83           HN       PHE  83 -13.782   8.143  -2.571
  479    HA   PHE  83           HA       PHE  83 -12.535   9.032  -5.077
  480    HD1  PHE  83           HD2      PHE  83 -12.454   5.383  -6.276
  481    HD2  PHE  83           HD1      PHE  83  -9.559   8.059  -4.666
  482    HE1  PHE  83           HE2      PHE  83 -10.901   4.797  -8.096
  483    HE2  PHE  83           HE1      PHE  83  -8.004   7.477  -6.477
  484    HZ   PHE  83           HZ       PHE  83  -8.673   5.844  -8.197
  485    HB2  PHE  83           HB2      PHE  83 -11.437   7.412  -3.385
  486    HB3  PHE  83           HB3      PHE  83 -12.592   6.224  -3.966
  487    H    GLU  84           HN       GLU  84 -15.111   7.153  -3.700
  488    HA   GLU  84           HA       GLU  84 -16.140   6.222  -6.244
  489    HB2  GLU  84           HB2      GLU  84 -17.177   6.006  -3.411
  490    HB3  GLU  84           HB3      GLU  84 -17.964   5.283  -4.798
  491    HG2  GLU  84           HG2      GLU  84 -15.919   3.936  -5.201
  492    HG3  GLU  84           HG3      GLU  84 -15.235   4.614  -3.722
  493    H    ASP  85           HN       ASP  85 -16.336   8.980  -4.378
  494    HA   ASP  85           HA       ASP  85 -18.902   9.799  -5.558
  495    HB2  ASP  85           HB2      ASP  85 -18.531   9.648  -2.955
  496    HB3  ASP  85           HB3      ASP  85 -17.663  11.160  -3.186
  497    H    VAL  86           HN       VAL  86 -17.730  10.377  -7.472
  498    HA   VAL  86           HA       VAL  86 -16.393  11.569  -8.859
  499    HB   VAL  86           HB       VAL  86 -18.276  13.105  -8.594
  500   HG11  VAL  86          HG11      VAL  86 -18.158  13.576  -6.213
  501   HG12  VAL  86          HG12      VAL  86 -16.656  14.471  -6.455
  502   HG13  VAL  86          HG13      VAL  86 -18.160  15.069  -7.156
  503   HG21  VAL  86          HG23      VAL  86 -17.154  15.169  -9.349
  504   HG22  VAL  86          HG21      VAL  86 -15.608  14.480  -8.849
  505   HG23  VAL  86          HG22      VAL  86 -16.533  13.718 -10.140
  506    H    GLY  87           HN       GLY  87 -14.582  10.455  -7.677
  507    HA2  GLY  87           HA1      GLY  87 -12.937  12.363  -6.164
  508    HA3  GLY  87           HA2      GLY  87 -12.857  10.618  -5.996
  509    H    HIS  88           HN       HIS  88 -11.338  13.230  -7.163
  510    HA   HIS  88           HA       HIS  88  -9.385  13.505  -8.252
  511    HD1  HIS  88           HD1      HIS  88  -8.830   9.791  -5.783
  512    HD2  HIS  88           HD2      HIS  88  -7.250  13.526  -6.747
  513    HE1  HIS  88           HE1      HIS  88  -7.562  10.593  -3.721
  514    HB2  HIS  88           HB2      HIS  88  -9.393  10.495  -8.124
  515    HB3  HIS  88           HB3      HIS  88  -8.065  11.402  -8.831
  516    H    SER  89           HN       SER  89  -8.167  12.937 -10.338
  517    HA   SER  89           HA       SER  89  -9.971  12.024 -12.456
  518    HG   SER  89           HG       SER  89  -7.274  14.731 -13.058
  519    HB2  SER  89           HB2      SER  89  -8.935  13.775 -13.965
  520    HB3  SER  89           HB3      SER  89 -10.004  14.405 -12.710
  521    H    THR  90           HN       THR  90  -8.254  11.959 -14.627
  522    HA   THR  90           HA       THR  90  -6.900   9.567 -14.082
  523    HB   THR  90           HB       THR  90  -7.672  10.232 -16.334
  524    HG1  THR  90           HG1      THR  90  -5.250   9.112 -15.717
  525   HG21  THR  90          HG23      THR  90  -6.244  11.672 -17.725
  526   HG22  THR  90          HG21      THR  90  -5.252  12.042 -16.309
  527   HG23  THR  90          HG22      THR  90  -6.939  12.553 -16.364
  528    H    ASP  91           HN       ASP  91  -5.825  12.823 -13.731
  529    HA   ASP  91           HA       ASP  91  -3.073  12.628 -13.871
  530    HB2  ASP  91           HB2      ASP  91  -4.593  14.191 -11.775
  531    HB3  ASP  91           HB3      ASP  91  -2.996  14.549 -12.421
  532    H    ALA  92           HN       ALA  92  -5.205  11.872 -11.141
  533    HA   ALA  92           HA       ALA  92  -2.996  11.238  -9.388
  534    HB1  ALA  92           HB3      ALA  92  -4.691  10.822  -7.704
  535    HB2  ALA  92           HB1      ALA  92  -5.003  12.352  -8.526
  536    HB3  ALA  92           HB2      ALA  92  -5.958  10.925  -8.928
  537    H    ARG  93           HN       ARG  93  -4.431   9.624 -11.819
  538    HA   ARG  93           HA       ARG  93  -4.468   6.969 -10.665
  539    HE   ARG  93           HE       ARG  93  -5.592   3.989 -14.875
  540    HB2  ARG  93           HB2      ARG  93  -6.080   7.681 -12.378
  541    HB3  ARG  93           HB3      ARG  93  -4.770   7.994 -13.500
  542    HG2  ARG  93           HG2      ARG  93  -4.263   5.654 -13.633
  543    HG3  ARG  93           HG3      ARG  93  -5.460   5.290 -12.384
  544    HD2  ARG  93           HD2      ARG  93  -7.235   6.117 -13.801
  545    HD3  ARG  93           HD3      ARG  93  -6.071   6.592 -15.032
  546   HH11  ARG  93          HH12      ARG  93  -8.639   5.710 -14.968
  547   HH12  ARG  93          HH11      ARG  93  -9.451   4.482 -15.878
  548   HH21  ARG  93          HH22      ARG  93  -6.674   2.364 -16.080
  549   HH22  ARG  93          HH21      ARG  93  -8.361   2.565 -16.462
  550    H    GLU  94           HN       GLU  94  -2.215   9.121 -11.706
  551    HA   GLU  94           HA       GLU  94  -0.269   7.111 -12.633
  552    HB2  GLU  94           HB2      GLU  94  -0.530  10.066 -13.229
  553    HB3  GLU  94           HB3      GLU  94   0.895   9.131 -13.642
  554    HG2  GLU  94           HG2      GLU  94  -1.883   8.617 -14.683
  555    HG3  GLU  94           HG3      GLU  94  -0.603   9.469 -15.548
  556    H    MET  95           HN       MET  95  -0.675  10.142 -10.945
  557    HA   MET  95           HA       MET  95   1.903  10.569 -10.023
  558    HB2  MET  95           HB2      MET  95  -0.096  12.141 -10.135
  559    HB3  MET  95           HB3      MET  95  -0.607  11.434  -8.610
  560    HG2  MET  95           HG2      MET  95   0.542  13.424  -8.084
  561    HG3  MET  95           HG3      MET  95   1.619  12.089  -7.672
  562    HE1  MET  95           HE3      MET  95   3.672  13.805  -7.570
  563    HE2  MET  95           HE1      MET  95   4.042  14.939  -8.868
  564    HE3  MET  95           HE2      MET  95   2.540  15.100  -7.961
  565    H    SER  96           HN       SER  96  -0.539   8.474  -8.777
  566    HA   SER  96           HA       SER  96   0.386   8.689  -6.059
  567    HG   SER  96           HG       SER  96  -2.797   7.449  -7.907
  568    HB2  SER  96           HB2      SER  96  -1.527   7.179  -5.563
  569    HB3  SER  96           HB3      SER  96  -1.991   8.662  -6.401
  570    H    LYS  97           HN       LYS  97   1.138   6.747  -8.701
  571    HA   LYS  97           HA       LYS  97   1.093   4.141  -7.702
  572    HB2  LYS  97           HB2      LYS  97   3.036   5.309  -9.709
  573    HB3  LYS  97           HB3      LYS  97   2.712   3.601  -9.473
  574    HG2  LYS  97           HG2      LYS  97   0.399   3.937 -10.210
  575    HG3  LYS  97           HG3      LYS  97   0.735   5.655 -10.456
  576    HD2  LYS  97           HD2      LYS  97   2.517   5.032 -12.049
  577    HD3  LYS  97           HD3      LYS  97   2.066   3.343 -11.866
  578    HE2  LYS  97           HE2      LYS  97   0.495   5.579 -13.107
  579    HE3  LYS  97           HE3      LYS  97   1.083   4.116 -13.870
  580    HZ1  LYS  97           HZ3      LYS  97  -1.150   4.377 -11.945
  581    HZ2  LYS  97           HZ1      LYS  97  -0.477   2.879 -12.376
  582    HZ3  LYS  97           HZ2      LYS  97  -1.207   3.852 -13.550
  583    H    THR  98           HN       THR  98   3.464   6.655  -7.194
  584    HA   THR  98           HA       THR  98   5.524   4.778  -6.397
  585    HB   THR  98           HB       THR  98   6.813   6.962  -6.029
  586    HG1  THR  98           HG1      THR  98   5.854   8.807  -6.847
  587   HG21  THR  98          HG23      THR  98   7.145   7.285  -8.443
  588   HG22  THR  98          HG21      THR  98   5.685   6.347  -8.761
  589   HG23  THR  98          HG22      THR  98   7.087   5.571  -8.022
  590    H    PHE  99           HN       PHE  99   2.921   6.033  -4.910
  591    HA   PHE  99           HA       PHE  99   4.212   6.484  -2.307
  592    HD1  PHE  99           HD1      PHE  99   3.855   8.903  -1.195
  593    HD2  PHE  99           HD2      PHE  99   1.797   8.741  -4.913
  594    HE1  PHE  99           HE1      PHE  99   4.698  11.142  -1.754
  595    HE2  PHE  99           HE2      PHE  99   2.636  10.982  -5.482
  596    HZ   PHE  99           HZ       PHE  99   4.089  12.185  -3.899
  597    HB2  PHE  99           HB2      PHE  99   1.424   7.097  -3.316
  598    HB3  PHE  99           HB3      PHE  99   1.928   7.326  -1.647
  599    H    ILE 100           HN       ILE 100   2.715   4.104  -4.088
  600    HA   ILE 100           HA       ILE 100   1.188   2.865  -1.998
  601    HB   ILE 100           HB       ILE 100   2.085   1.512  -4.535
  602   HG12  ILE 100          HG12      ILE 100  -0.362   3.258  -4.190
  603   HG13  ILE 100          HG13      ILE 100   1.079   3.719  -5.092
  604   HG21  ILE 100          HG21      ILE 100  -0.214   1.174  -2.632
  605   HG22  ILE 100          HG22      ILE 100  -0.116   0.362  -4.196
  606   HG23  ILE 100          HG23      ILE 100   1.099   0.045  -2.958
  607   HD11  ILE 100          HD13      ILE 100   0.691   1.892  -6.656
  608   HD12  ILE 100          HD11      ILE 100  -0.741   1.409  -5.743
  609   HD13  ILE 100          HD12      ILE 100  -0.703   2.970  -6.567
  610    H    ILE 101           HN       ILE 101   2.626   2.339  -0.291
  611    HA   ILE 101           HA       ILE 101   5.189   1.173  -0.809
  612    HB   ILE 101           HB       ILE 101   5.352   0.909   1.662
  613   HG12  ILE 101          HG12      ILE 101   2.645   2.279   1.655
  614   HG13  ILE 101          HG13      ILE 101   2.943   0.614   2.145
  615   HG21  ILE 101          HG21      ILE 101   5.348   3.381   2.084
  616   HG22  ILE 101          HG22      ILE 101   6.230   2.855   0.650
  617   HG23  ILE 101          HG23      ILE 101   4.630   3.577   0.486
  618   HD11  ILE 101          HD13      ILE 101   4.060   3.066   3.498
  619   HD12  ILE 101          HD11      ILE 101   2.696   2.104   4.065
  620   HD13  ILE 101          HD12      ILE 101   4.312   1.397   4.004
  621    H    GLY 102           HN       GLY 102   2.046  -0.158  -0.297
  622    HA2  GLY 102           HA1      GLY 102   2.780  -2.746  -1.013
  623    HA3  GLY 102           HA2      GLY 102   2.811  -2.679   0.744
  624    H    GLU 103           HN       GLU 103   1.071  -4.203   0.793
  625    HA   GLU 103           HA       GLU 103  -1.536  -2.926   0.338
  626    HB2  GLU 103           HB2      GLU 103  -0.865  -5.805  -0.325
  627    HB3  GLU 103           HB3      GLU 103  -2.475  -5.101  -0.398
  628    HG2  GLU 103           HG2      GLU 103  -1.512  -3.437  -2.051
  629    HG3  GLU 103           HG3      GLU 103  -0.095  -4.476  -2.115
  630    H    LEU 104           HN       LEU 104  -3.080  -5.095   1.359
  631    HA   LEU 104           HA       LEU 104  -2.358  -4.785   4.173
  632    HG   LEU 104           HG       LEU 104  -4.133  -3.036   3.093
  633    HB2  LEU 104           HB2      LEU 104  -4.954  -5.499   2.820
  634    HB3  LEU 104           HB3      LEU 104  -4.725  -5.568   4.560
  635   HD11  LEU 104          HD11      LEU 104  -6.844  -3.929   4.023
  636   HD12  LEU 104          HD12      LEU 104  -6.428  -2.295   3.507
  637   HD13  LEU 104          HD13      LEU 104  -6.354  -3.628   2.354
  638   HD21  LEU 104          HD23      LEU 104  -3.489  -3.371   5.469
  639   HD22  LEU 104          HD21      LEU 104  -4.596  -2.024   5.202
  640   HD23  LEU 104          HD22      LEU 104  -5.200  -3.547   5.851
  641    H    HIS 105           HN       HIS 105  -2.494  -6.540   5.647
  642    HA   HIS 105           HA       HIS 105  -1.249  -8.922   4.656
  643    HD1  HIS 105           HD1      HIS 105   0.407  -6.713   7.449
  644    HD2  HIS 105           HD2      HIS 105   0.508 -10.762   6.588
  645    HE1  HIS 105           HE1      HIS 105   2.829  -7.368   7.596
  646    HE2  HIS 105           HE2      HIS 105   2.844  -9.863   7.206
  647    HB2  HIS 105           HB2      HIS 105  -1.873  -7.732   7.277
  648    HB3  HIS 105           HB3      HIS 105  -1.963  -9.487   7.263
  649    HA   PRO 106           HA       PRO 106  -4.592 -11.992   4.484
  650    HB2  PRO 106           HB2      PRO 106  -3.555 -13.123   7.052
  651    HB3  PRO 106           HB3      PRO 106  -3.979 -13.952   5.548
  652    HG2  PRO 106           HG2      PRO 106  -1.436 -13.532   6.136
  653    HG3  PRO 106           HG3      PRO 106  -2.019 -13.279   4.479
  654    HD2  PRO 106           HD2      PRO 106  -1.365 -11.266   6.586
  655    HD3  PRO 106           HD3      PRO 106  -1.078 -11.208   4.832
  656    H    ASP 107           HN       ASP 107  -4.335  -9.771   6.977
  657    HA   ASP 107           HA       ASP 107  -6.605 -10.673   8.526
  658    HB2  ASP 107           HB2      ASP 107  -6.216  -8.729   9.921
  659    HB3  ASP 107           HB3      ASP 107  -4.673  -9.524   9.611
  660    H    ASP 108           HN       ASP 108  -5.949  -8.593   5.837
  661    HA   ASP 108           HA       ASP 108  -8.806  -7.855   5.800
  662    HB2  ASP 108           HB2      ASP 108  -7.123  -5.916   5.980
  663    HB3  ASP 108           HB3      ASP 108  -6.671  -6.325   4.329
  664    H    ARG 109           HN       ARG 109  -6.110  -9.177   4.015
  665    HA   ARG 109           HA       ARG 109  -6.927  -8.870   1.389
  666    HE   ARG 109           HE       ARG 109  -5.682 -10.823  -0.815
  667    HB2  ARG 109           HB2      ARG 109  -5.036 -10.581   2.807
  668    HB3  ARG 109           HB3      ARG 109  -5.658 -11.307   1.332
  669    HG2  ARG 109           HG2      ARG 109  -5.050  -8.777   0.511
  670    HG3  ARG 109           HG3      ARG 109  -3.784  -9.106   1.701
  671    HD2  ARG 109           HD2      ARG 109  -3.028  -9.850  -0.461
  672    HD3  ARG 109           HD3      ARG 109  -3.345 -11.258   0.557
  673   HH11  ARG 109          HH12      ARG 109  -2.365 -11.461  -1.633
  674   HH12  ARG 109          HH11      ARG 109  -2.733 -12.242  -3.140
  675   HH21  ARG 109          HH22      ARG 109  -6.224 -11.856  -2.797
  676   HH22  ARG 109          HH21      ARG 109  -4.960 -12.439  -3.828
  677    HA   PRO 110           HA       PRO 110  -9.555 -12.880   1.555
  678    HB2  PRO 110           HB2      PRO 110  -9.680 -13.841   4.278
  679    HB3  PRO 110           HB3      PRO 110  -9.062 -14.674   2.850
  680    HG2  PRO 110           HG2      PRO 110  -7.485 -13.843   4.922
  681    HG3  PRO 110           HG3      PRO 110  -6.904 -14.040   3.260
  682    HD2  PRO 110           HD2      PRO 110  -7.712 -11.549   4.705
  683    HD3  PRO 110           HD3      PRO 110  -6.349 -11.819   3.598
  684    H    LYS 111           HN       LYS 111  -9.523 -10.600   4.106
  685    HA   LYS 111           HA       LYS 111 -11.023  -9.532   5.392
  686    HB2  LYS 111           HB2      LYS 111 -13.003 -10.360   3.263
  687    HB3  LYS 111           HB3      LYS 111 -13.288  -9.143   4.499
  688    HG2  LYS 111           HG2      LYS 111 -11.071  -8.122   3.446
  689    HG3  LYS 111           HG3      LYS 111 -11.644  -9.019   2.041
  690    HD2  LYS 111           HD2      LYS 111 -12.551  -6.841   1.847
  691    HD3  LYS 111           HD3      LYS 111 -13.872  -7.883   2.374
  692    HE2  LYS 111           HE2      LYS 111 -13.900  -5.779   3.591
  693    HE3  LYS 111           HE3      LYS 111 -13.563  -7.123   4.678
  694    HZ1  LYS 111           HZ3      LYS 111 -11.196  -6.522   4.578
  695    HZ2  LYS 111           HZ1      LYS 111 -12.139  -5.247   5.168
  696    HZ3  LYS 111           HZ2      LYS 111 -11.557  -5.215   3.579
  697    H    LEU 112           HN       LEU 112 -12.836 -12.330   4.157
  698    HA   LEU 112           HA       LEU 112 -13.420 -13.077   6.939
  699    HG   LEU 112           HG       LEU 112 -15.011 -15.579   6.205
  700    HB2  LEU 112           HB2      LEU 112 -15.409 -12.655   5.579
  701    HB3  LEU 112           HB3      LEU 112 -14.870 -13.837   4.401
  702   HD11  LEU 112          HD11      LEU 112 -14.886 -14.059   8.114
  703   HD12  LEU 112          HD12      LEU 112 -16.466 -13.401   7.687
  704   HD13  LEU 112          HD13      LEU 112 -16.315 -15.086   8.183
  705   HD21  LEU 112          HD23      LEU 112 -17.447 -15.784   6.086
  706   HD22  LEU 112          HD21      LEU 112 -17.555 -14.130   5.489
  707   HD23  LEU 112          HD22      LEU 112 -16.749 -15.366   4.524
  708    H    ASN 113           HN       ASN 113 -13.149 -14.882   3.818
  709    HA   ASN 113           HA       ASN 113 -11.258 -16.684   5.126
  710    HB2  ASN 113           HB2      ASN 113 -13.564 -17.443   5.725
  711    HB3  ASN 113           HB3      ASN 113 -13.873 -17.715   4.017
  712   HD21  ASN 113          HD21      ASN 113 -10.813 -18.415   5.593
  713   HD22  ASN 113          HD22      ASN 113 -10.920 -20.128   5.423
  714    H    LYS 114           HN       LYS 114 -12.454 -15.258   2.276
  715    HA   LYS 114           HA       LYS 114 -11.660 -15.242   0.138
  716    HB2  LYS 114           HB2      LYS 114  -9.721 -17.209   1.288
  717    HB3  LYS 114           HB3      LYS 114  -9.858 -17.074  -0.461
  718    HG2  LYS 114           HG2      LYS 114  -9.121 -14.865  -0.465
  719    HG3  LYS 114           HG3      LYS 114  -9.449 -14.656   1.248
  720    HD2  LYS 114           HD2      LYS 114  -7.068 -14.781   0.907
  721    HD3  LYS 114           HD3      LYS 114  -7.609 -16.224   1.759
  722    HE2  LYS 114           HE2      LYS 114  -7.323 -16.232  -1.220
  723    HE3  LYS 114           HE3      LYS 114  -5.913 -16.441  -0.190
  724    HZ1  LYS 114           HZ3      LYS 114  -7.234 -18.285   0.910
  725    HZ2  LYS 114           HZ1      LYS 114  -6.670 -18.589  -0.660
  726    HZ3  LYS 114           HZ2      LYS 114  -8.291 -18.185  -0.415
  727    HA   PRO 115           HA       PRO 115 -14.654 -18.292  -1.177
  728    HB2  PRO 115           HB2      PRO 115 -14.795 -16.854  -3.689
  729    HB3  PRO 115           HB3      PRO 115 -15.989 -16.928  -2.392
  730    HG2  PRO 115           HG2      PRO 115 -14.594 -14.671  -3.025
  731    HG3  PRO 115           HG3      PRO 115 -15.220 -15.011  -1.400
  732    HD2  PRO 115           HD2      PRO 115 -12.444 -15.365  -2.480
  733    HD3  PRO 115           HD3      PRO 115 -12.969 -14.725  -0.906
  734    HA   PRO 116           HA       PRO 116 -11.807 -20.711  -3.679
  735    HB2  PRO 116           HB2      PRO 116 -13.570 -22.957  -3.166
  736    HB3  PRO 116           HB3      PRO 116 -11.940 -22.675  -2.562
  737    HG2  PRO 116           HG2      PRO 116 -14.134 -22.621  -0.961
  738    HG3  PRO 116           HG3      PRO 116 -12.682 -21.659  -0.643
  739    HD2  PRO 116           HD2      PRO 116 -15.267 -20.809  -1.909
  740    HD3  PRO 116           HD3      PRO 116 -14.278 -19.967  -0.697
  741    H    GLU 117           HN       GLU 117 -15.063 -22.109  -3.966
  742    HA   GLU 117           HA       GLU 117 -14.618 -22.428  -6.799
  743    HB2  GLU 117           HB2      GLU 117 -16.735 -23.727  -6.750
  744    HB3  GLU 117           HB3      GLU 117 -15.512 -24.327  -5.644
  745    HG2  GLU 117           HG2      GLU 117 -16.668 -23.269  -3.774
  746    HG3  GLU 117           HG3      GLU 117 -17.873 -22.609  -4.886
  747    H    THR 118           HN       THR 118 -14.751 -19.840  -6.567
  748    HA   THR 118           HA       THR 118 -15.823 -17.904  -7.112
  749    HB   THR 118           HB       THR 118 -17.232 -18.086  -9.191
  750    HG1  THR 118           HG1      THR 118 -17.544 -20.555  -8.447
  751   HG21  THR 118          HG23      THR 118 -15.359 -18.847 -10.611
  752   HG22  THR 118          HG21      THR 118 -14.551 -19.465  -9.174
  753   HG23  THR 118          HG22      THR 118 -14.839 -17.735  -9.345
  754    H    LEU 119           HN       LEU 119 -16.953 -18.513  -4.868
  755    HA   LEU 119           HA       LEU 119 -19.628 -19.131  -4.646
  756    HG   LEU 119           HG       LEU 119 -20.495 -16.972  -2.571
  757    HB2  LEU 119           HB2      LEU 119 -18.106 -18.808  -2.751
  758    HB3  LEU 119           HB3      LEU 119 -18.072 -17.085  -3.070
  759   HD11  LEU 119          HD11      LEU 119 -21.566 -18.870  -1.466
  760   HD12  LEU 119          HD12      LEU 119 -21.096 -19.263  -3.121
  761   HD13  LEU 119          HD13      LEU 119 -20.130 -19.855  -1.767
  762   HD21  LEU 119          HD23      LEU 119 -18.711 -18.131  -0.439
  763   HD22  LEU 119          HD21      LEU 119 -18.899 -16.429  -0.856
  764   HD23  LEU 119          HD22      LEU 119 -20.246 -17.316  -0.137
  765    H    ILE 120           HN       ILE 120 -18.500 -15.758  -4.426
  766    HA   ILE 120           HA       ILE 120 -20.662 -15.017  -6.276
  767    HB   ILE 120           HB       ILE 120 -19.696 -13.329  -3.953
  768   HG12  ILE 120          HG12      ILE 120 -22.308 -14.803  -4.384
  769   HG13  ILE 120          HG13      ILE 120 -21.067 -15.206  -3.202
  770   HG21  ILE 120          HG21      ILE 120 -21.876 -12.812  -5.984
  771   HG22  ILE 120          HG22      ILE 120 -21.515 -11.800  -4.588
  772   HG23  ILE 120          HG23      ILE 120 -20.328 -11.975  -5.882
  773   HD11  ILE 120          HD13      ILE 120 -21.487 -13.124  -2.031
  774   HD12  ILE 120          HD11      ILE 120 -22.705 -12.682  -3.230
  775   HD13  ILE 120          HD12      ILE 120 -22.961 -14.079  -2.180
  776    H    THR 121           HN       THR 121 -19.264 -15.137  -7.989
  777    HA   THR 121           HA       THR 121 -17.183 -13.058  -8.059
  778    HB   THR 121           HB       THR 121 -17.157 -15.622  -9.664
  779    HG1  THR 121           HG1      THR 121 -16.182 -15.001  -7.095
  780   HG21  THR 121          HG23      THR 121 -14.770 -15.060  -9.964
  781   HG22  THR 121          HG21      THR 121 -15.031 -13.551  -9.090
  782   HG23  THR 121          HG22      THR 121 -15.834 -13.826 -10.637
  783    H    THR 122           HN       THR 122 -19.501 -14.930 -10.009
  784    HA   THR 122           HA       THR 122 -20.759 -14.400 -11.817
  785    HB   THR 122           HB       THR 122 -20.642 -11.554 -10.811
  786    HG1  THR 122           HG1      THR 122 -21.801 -13.874  -9.721
  787   HG21  THR 122          HG23      THR 122 -22.851 -13.146 -12.141
  788   HG22  THR 122          HG21      THR 122 -21.851 -11.928 -12.936
  789   HG23  THR 122          HG22      THR 122 -22.946 -11.457 -11.636
  790    H    ILE 123           HN       ILE 123 -18.315 -14.738 -12.648
  791    HA   ILE 123           HA       ILE 123 -17.661 -12.484 -14.398
  792    HB   ILE 123           HB       ILE 123 -16.101 -14.982 -13.713
  793   HG12  ILE 123          HG12      ILE 123 -16.026 -13.210 -12.026
  794   HG13  ILE 123          HG13      ILE 123 -14.459 -13.378 -12.815
  795   HG21  ILE 123          HG21      ILE 123 -14.310 -14.135 -15.158
  796   HG22  ILE 123          HG22      ILE 123 -15.768 -14.510 -16.077
  797   HG23  ILE 123          HG23      ILE 123 -15.370 -12.835 -15.700
  798   HD11  ILE 123          HD13      ILE 123 -14.903 -11.412 -14.163
  799   HD12  ILE 123          HD11      ILE 123 -16.506 -11.260 -13.443
  800   HD13  ILE 123          HD12      ILE 123 -15.066 -11.041 -12.447
  801    H    ASP 124           HN       ASP 124 -18.101 -12.533 -16.456
  802    HA   ASP 124           HA       ASP 124 -20.129 -14.049 -17.494
  803    HB2  ASP 124           HB2      ASP 124 -17.917 -12.635 -18.992
  804    HB3  ASP 124           HB3      ASP 124 -19.425 -13.182 -19.709
  805    H    SER 125           HN       SER 125 -19.965 -16.250 -17.375
  806    HA   SER 125           HA       SER 125 -19.520 -18.346 -18.076
  807    HG   SER 125           HG       SER 125 -20.686 -17.609 -21.202
  808    HB2  SER 125           HB2      SER 125 -18.398 -16.983 -20.535
  809    HB3  SER 125           HB3      SER 125 -18.960 -18.651 -20.418
  810    H    SER 126           HN       SER 126 -18.073 -19.017 -16.607
  811    HA   SER 126           HA       SER 126 -15.632 -18.047 -15.998
  812    HG   SER 126           HG       SER 126 -14.671 -19.949 -14.047
  813    HB2  SER 126           HB2      SER 126 -16.705 -19.581 -14.537
  814    HB3  SER 126           HB3      SER 126 -16.661 -20.864 -15.747
  815    H    SER 127           HN       SER 127 -15.879 -21.165 -17.743
  816    HA   SER 127           HA       SER 127 -13.578 -20.524 -19.353
  817    HG   SER 127           HG       SER 127 -13.930 -21.829 -16.100
  818    HB2  SER 127           HB2      SER 127 -12.348 -22.570 -18.343
  819    HB3  SER 127           HB3      SER 127 -12.310 -21.047 -17.454
  820    H    SER 128           HN       SER 128 -12.961 -22.311 -20.789
  821    HA   SER 128           HA       SER 128 -15.047 -24.356 -21.127
  822    HG   SER 128           HG       SER 128 -12.471 -23.139 -23.226
  823    HB2  SER 128           HB2      SER 128 -14.548 -24.221 -23.587
  824    HB3  SER 128           HB3      SER 128 -15.266 -22.752 -22.936
  825    HHA  HEM 129           HHA      HEM 129  -6.503  17.158  -6.255
  826    HHB  HEM 129           HHB      HEM 129  -2.299  12.287  -6.015
  827    HHC  HEM 129           HHC      HEM 129  -5.039  10.263  -0.594
  828    HHD  HEM 129           HHD      HEM 129  -9.644  14.749  -1.193
  829    HAB  HEM 129           HAB      HEM 129  -2.133   9.919  -0.524
  830    HAC  HEM 129           HAC      HEM 129 -10.388  13.113   0.441
  831   HMA1  HEM 129          HMA1      HEM 129  -2.280  15.136  -8.677
  832   HMA2  HEM 129          HMA2      HEM 129  -1.368  14.540  -7.287
  833   HMA3  HEM 129          HMA3      HEM 129  -2.284  13.417  -8.305
  834   HAA1  HEM 129          HAA1      HEM 129  -3.912  17.112  -8.531
  835   HAA2  HEM 129          HAA2      HEM 129  -4.398  15.759  -8.954
  836   HBA1  HEM 129          HBA1      HEM 129  -6.321  17.553  -9.219
  837   HBA2  HEM 129          HBA2      HEM 129  -6.874  16.086  -8.390
  838   HMB1  HEM 129          HMB1      HEM 129  -0.269  10.894  -3.916
  839   HMB2  HEM 129          HMB2      HEM 129  -1.270   9.694  -4.967
  840   HMB3  HEM 129          HMB3      HEM 129  -1.098   9.747  -3.453
  841   HBB1  HEM 129          HBB1      HEM 129  -3.022   7.880  -2.601
  842   HBB2  HEM 129          HBB2      HEM 129  -2.172   7.581  -0.960
  843   HMC1  HEM 129          HMC1      HEM 129  -7.106   9.646   0.743
  844   HMC2  HEM 129          HMC2      HEM 129  -6.160  10.804   1.692
  845   HMC3  HEM 129          HMC3      HEM 129  -7.948  10.712   1.846
  846   HBC1  HEM 129          HBC1      HEM 129 -10.232  13.015   2.808
  847   HBC2  HEM 129          HBC2      HEM 129  -8.462  12.467   2.733
  848   HMD1  HEM 129          HMD1      HEM 129 -10.717  16.490  -1.700
  849   HMD2  HEM 129          HMD2      HEM 129 -10.908  17.784  -3.042
  850   HMD3  HEM 129          HMD3      HEM 129  -9.756  17.601  -2.081
  851   HAD1  HEM 129          HAD1      HEM 129  -8.687  17.848  -6.425
  852   HAD2  HEM 129          HAD2      HEM 129  -9.837  17.389  -5.601
  853   HBD1  HEM 129          HBD1      HEM 129 -10.348  18.878  -4.026
  854   HBD2  HEM 129          HBD2      HEM 129 -10.656  19.223  -5.745
  Start of MODEL   16
    1    HA   MET  21           HA       MET  21  12.623 -14.444   7.340
    2    H1   MET  21           1H       MET  21  13.046 -12.692   9.664
    3    HB2  MET  21           HB2      MET  21  11.293 -11.760   7.829
    4    HB3  MET  21           HB3      MET  21  11.212 -12.648   6.318
    5    HG2  MET  21           HG2      MET  21   9.198 -13.122   7.327
    6    HG3  MET  21           HG3      MET  21  10.178 -14.530   7.730
    7    HE1  MET  21           HE3      MET  21   9.168 -11.103  10.649
    8    HE2  MET  21           HE1      MET  21  10.245 -10.883   9.273
    9    HE3  MET  21           HE2      MET  21   8.532 -11.220   9.009
   10    H    ALA  22           HN       ALA  22  13.808 -13.852   5.483
   11    HA   ALA  22           HA       ALA  22  16.151 -12.291   6.119
   12    HB1  ALA  22           HB3      ALA  22  17.047 -13.026   4.030
   13    HB2  ALA  22           HB1      ALA  22  16.232 -14.401   4.779
   14    HB3  ALA  22           HB2      ALA  22  15.455 -13.524   3.461
   15    H    GLU  23           HN       GLU  23  13.703 -12.141   3.557
   16    HA   GLU  23           HA       GLU  23  14.438  -9.566   2.632
   17    HB2  GLU  23           HB2      GLU  23  11.686  -9.971   2.057
   18    HB3  GLU  23           HB3      GLU  23  13.051 -10.126   0.965
   19    HG2  GLU  23           HG2      GLU  23  11.685 -12.119   0.936
   20    HG3  GLU  23           HG3      GLU  23  13.285 -12.472   1.586
   21    H    GLN  24           HN       GLN  24  11.294 -10.394   4.106
   22    HA   GLN  24           HA       GLN  24  11.429  -8.749   6.343
   23    HB2  GLN  24           HB2      GLN  24  11.647  -6.924   4.624
   24    HB3  GLN  24           HB3      GLN  24  10.031  -7.330   4.066
   25    HG2  GLN  24           HG2      GLN  24   9.926  -5.423   5.528
   26    HG3  GLN  24           HG3      GLN  24   9.142  -6.795   6.305
   27   HE21  GLN  24          HE21      GLN  24   9.408  -5.967   8.370
   28   HE22  GLN  24          HE22      GLN  24  10.950  -5.894   9.153
   29    H    SER  25           HN       SER  25   9.291  -9.890   3.730
   30    HA   SER  25           HA       SER  25   7.162 -10.191   5.748
   31    HG   SER  25           HG       SER  25   6.992  -7.831   5.320
   32    HB2  SER  25           HB2      SER  25   6.764  -9.280   2.895
   33    HB3  SER  25           HB3      SER  25   5.538  -9.363   4.160
   34    H    ASP  26           HN       ASP  26   8.976 -12.249   4.678
   35    HA   ASP  26           HA       ASP  26   8.803 -14.484   4.230
   36    HB2  ASP  26           HB2      ASP  26   6.603 -14.137   5.595
   37    HB3  ASP  26           HB3      ASP  26   5.798 -14.246   4.034
   38    H    GLU  27           HN       GLU  27   9.439 -12.821   2.305
   39    HA   GLU  27           HA       GLU  27   9.743 -12.562   0.097
   40    HB2  GLU  27           HB2      GLU  27   8.172 -15.130  -0.135
   41    HB3  GLU  27           HB3      GLU  27   8.935 -14.321  -1.491
   42    HG2  GLU  27           HG2      GLU  27  11.123 -14.591  -0.325
   43    HG3  GLU  27           HG3      GLU  27  10.294 -15.568   0.888
   44    H    ALA  28           HN       ALA  28   8.304 -12.812  -2.107
   45    HA   ALA  28           HA       ALA  28   6.556 -12.154  -3.382
   46    HB1  ALA  28           HB3      ALA  28   4.904 -12.126  -0.858
   47    HB2  ALA  28           HB1      ALA  28   4.317 -12.208  -2.519
   48    HB3  ALA  28           HB2      ALA  28   5.212 -13.563  -1.834
   49    H    VAL  29           HN       VAL  29   4.431 -10.403  -2.665
   50    HA   VAL  29           HA       VAL  29   5.809  -7.853  -2.557
   51    HB   VAL  29           HB       VAL  29   2.842  -8.453  -2.747
   52   HG11  VAL  29          HG11      VAL  29   4.362  -5.892  -3.239
   53   HG12  VAL  29          HG12      VAL  29   2.647  -6.143  -3.566
   54   HG13  VAL  29          HG13      VAL  29   3.247  -6.216  -1.911
   55   HG21  VAL  29          HG23      VAL  29   4.680  -7.640  -4.990
   56   HG22  VAL  29          HG21      VAL  29   4.222  -9.312  -4.661
   57   HG23  VAL  29          HG22      VAL  29   2.991  -8.128  -5.102
   58    H    LYS  30           HN       LYS  30   5.805  -6.497  -0.810
   59    HA   LYS  30           HA       LYS  30   5.464  -7.701   1.706
   60    HB2  LYS  30           HB2      LYS  30   5.841  -4.773   1.089
   61    HB3  LYS  30           HB3      LYS  30   6.062  -5.538   2.654
   62    HG2  LYS  30           HG2      LYS  30   7.947  -6.783   1.846
   63    HG3  LYS  30           HG3      LYS  30   7.674  -6.203   0.201
   64    HD2  LYS  30           HD2      LYS  30   8.038  -3.883   1.011
   65    HD3  LYS  30           HD3      LYS  30   8.440  -4.530   2.601
   66    HE2  LYS  30           HE2      LYS  30  10.467  -4.049   1.372
   67    HE3  LYS  30           HE3      LYS  30  10.295  -5.788   1.594
   68    HZ1  LYS  30           HZ3      LYS  30   9.666  -6.066  -0.642
   69    HZ2  LYS  30           HZ1      LYS  30  11.010  -5.033  -0.666
   70    HZ3  LYS  30           HZ2      LYS  30   9.447  -4.404  -0.886
   71    H    TYR  31           HN       TYR  31   3.954  -7.495   3.273
   72    HA   TYR  31           HA       TYR  31   1.550  -5.930   2.612
   73    HD1  TYR  31           HD2      TYR  31   0.305  -7.146   0.980
   74    HD2  TYR  31           HD1      TYR  31   1.814 -10.465   3.164
   75    HE1  TYR  31           HE2      TYR  31   0.146  -8.543  -1.043
   76    HE2  TYR  31           HE1      TYR  31   1.665 -11.869   1.150
   77    HH   TYR  31           HH       TYR  31   1.261 -10.630  -1.920
   78    HB2  TYR  31           HB2      TYR  31   1.568  -8.484   4.243
   79    HB3  TYR  31           HB3      TYR  31   0.159  -7.564   3.729
   80    H    TYR  32           HN       TYR  32   0.344  -5.120   4.461
   81    HA   TYR  32           HA       TYR  32   1.884  -5.048   6.975
   82    HD1  TYR  32           HD2      TYR  32   2.133  -2.580   4.058
   83    HD2  TYR  32           HD1      TYR  32   2.803  -2.406   8.268
   84    HE1  TYR  32           HE2      TYR  32   4.352  -1.555   3.674
   85    HE2  TYR  32           HE1      TYR  32   5.002  -1.373   7.890
   86    HH   TYR  32           HH       TYR  32   6.676  -1.221   6.159
   87    HB2  TYR  32           HB2      TYR  32   0.318  -2.859   5.636
   88    HB3  TYR  32           HB3      TYR  32   0.606  -2.843   7.372
   89    H    THR  33           HN       THR  33   0.739  -5.388   8.876
   90    HA   THR  33           HA       THR  33  -1.790  -6.677   8.516
   91    HB   THR  33           HB       THR  33  -1.844  -6.804  11.000
   92    HG1  THR  33           HG1      THR  33   0.675  -5.472  10.782
   93   HG21  THR  33          HG23      THR  33   0.125  -8.295  11.217
   94   HG22  THR  33          HG21      THR  33   0.720  -7.693   9.671
   95   HG23  THR  33          HG22      THR  33  -0.794  -8.596   9.743
   96    H    LEU  34           HN       LEU  34  -3.821  -5.973   9.541
   97    HA   LEU  34           HA       LEU  34  -4.511  -3.355   8.814
   98    HG   LEU  34           HG       LEU  34  -6.695  -3.132  11.225
   99    HB2  LEU  34           HB2      LEU  34  -6.216  -4.997   8.897
  100    HB3  LEU  34           HB3      LEU  34  -5.856  -5.426  10.551
  101   HD11  LEU  34          HD11      LEU  34  -6.432  -1.984   9.120
  102   HD12  LEU  34          HD12      LEU  34  -7.578  -3.079   8.346
  103   HD13  LEU  34          HD13      LEU  34  -8.131  -1.966   9.599
  104   HD21  LEU  34          HD23      LEU  34  -8.554  -5.040   9.818
  105   HD22  LEU  34          HD21      LEU  34  -8.098  -5.054  11.520
  106   HD23  LEU  34          HD22      LEU  34  -9.091  -3.741  10.885
  107    H    GLU  35           HN       GLU  35  -3.453  -4.752  11.828
  108    HA   GLU  35           HA       GLU  35  -4.239  -2.667  13.556
  109    HB2  GLU  35           HB2      GLU  35  -2.700  -3.781  15.189
  110    HB3  GLU  35           HB3      GLU  35  -3.917  -4.831  14.480
  111    HG2  GLU  35           HG2      GLU  35  -2.248  -5.732  12.948
  112    HG3  GLU  35           HG3      GLU  35  -1.026  -4.677  13.658
  113    H    GLU  36           HN       GLU  36  -1.513  -3.021  11.493
  114    HA   GLU  36           HA       GLU  36   0.221  -1.174  12.869
  115    HB2  GLU  36           HB2      GLU  36   0.315  -2.213  10.014
  116    HB3  GLU  36           HB3      GLU  36   1.578  -1.255  10.768
  117    HG2  GLU  36           HG2      GLU  36   1.966  -3.035  12.387
  118    HG3  GLU  36           HG3      GLU  36   0.677  -3.971  11.644
  119    H    ILE  37           HN       ILE  37  -1.928  -1.102  10.120
  120    HA   ILE  37           HA       ILE  37  -1.201   1.473   9.194
  121    HB   ILE  37           HB       ILE  37  -3.737  -0.067   8.645
  122   HG12  ILE  37          HG12      ILE  37  -1.601  -1.376   8.305
  123   HG13  ILE  37          HG13      ILE  37  -2.608  -1.191   6.874
  124   HG21  ILE  37          HG21      ILE  37  -3.687   2.304   7.899
  125   HG22  ILE  37          HG22      ILE  37  -2.279   1.925   6.913
  126   HG23  ILE  37          HG23      ILE  37  -3.830   1.156   6.569
  127   HD11  ILE  37          HD13      ILE  37  -1.116   0.623   6.129
  128   HD12  ILE  37          HD11      ILE  37  -0.086   0.298   7.524
  129   HD13  ILE  37          HD12      ILE  37  -0.315  -0.939   6.289
  130    H    GLN  38           HN       GLN  38  -3.473   0.269  11.490
  131    HA   GLN  38           HA       GLN  38  -5.100   2.544  11.827
  132    HB2  GLN  38           HB2      GLN  38  -4.458   0.082  13.344
  133    HB3  GLN  38           HB3      GLN  38  -5.100   1.414  14.291
  134    HG2  GLN  38           HG2      GLN  38  -6.405   0.157  11.881
  135    HG3  GLN  38           HG3      GLN  38  -6.861  -0.113  13.563
  136   HE21  GLN  38          HE21      GLN  38  -6.893   2.165  10.907
  137   HE22  GLN  38          HE22      GLN  38  -8.077   3.221  11.596
  138    H    LYS  39           HN       LYS  39  -1.921   1.690  12.987
  139    HA   LYS  39           HA       LYS  39  -1.839   3.727  15.043
  140    HB2  LYS  39           HB2      LYS  39  -0.707   1.403  15.053
  141    HB3  LYS  39           HB3      LYS  39   0.507   2.143  14.020
  142    HG2  LYS  39           HG2      LYS  39   0.926   3.842  15.770
  143    HG3  LYS  39           HG3      LYS  39  -0.230   3.015  16.815
  144    HD2  LYS  39           HD2      LYS  39   1.967   2.308  17.446
  145    HD3  LYS  39           HD3      LYS  39   1.183   0.962  16.616
  146    HE2  LYS  39           HE2      LYS  39   2.391   1.453  14.578
  147    HE3  LYS  39           HE3      LYS  39   3.088   2.902  15.301
  148    HZ1  LYS  39           HZ3      LYS  39   4.198   1.447  16.936
  149    HZ2  LYS  39           HZ1      LYS  39   4.697   1.148  15.346
  150    HZ3  LYS  39           HZ2      LYS  39   3.619   0.087  16.104
  151    H    HIS  40           HN       HIS  40  -1.679   3.869  11.819
  152    HA   HIS  40           HA       HIS  40   0.325   6.030  11.781
  153    HD1  HIS  40           HD1      HIS  40   1.070   1.980   9.840
  154    HD2  HIS  40           HD2      HIS  40   2.769   5.282  11.682
  155    HE1  HIS  40           HE1      HIS  40   3.217   1.160  10.855
  156    HE2  HIS  40           HE2      HIS  40   4.221   3.164  11.987
  157    HB2  HIS  40           HB2      HIS  40  -0.370   3.998   9.647
  158    HB3  HIS  40           HB3      HIS  40   0.673   5.392   9.374
  159    H    ASN  41           HN       ASN  41  -2.252   6.431  12.517
  160    HA   ASN  41           HA       ASN  41  -3.809   7.333  10.197
  161    HB2  ASN  41           HB2      ASN  41  -5.711   7.183  11.614
  162    HB3  ASN  41           HB3      ASN  41  -4.734   5.775  12.018
  163   HD21  ASN  41          HD21      ASN  41  -6.144   8.675  13.159
  164   HD22  ASN  41          HD22      ASN  41  -5.611   8.554  14.802
  165    H    HIS  42           HN       HIS  42  -1.495   8.763  11.727
  166    HA   HIS  42           HA       HIS  42  -2.986  11.146  12.587
  167    HD1  HIS  42           HD1      HIS  42   1.111  10.769  13.586
  168    HD2  HIS  42           HD2      HIS  42  -1.155   7.594  15.016
  169    HE1  HIS  42           HE1      HIS  42   2.749   8.897  13.977
  170    HE2  HIS  42           HE2      HIS  42   1.381   7.114  15.134
  171    HB2  HIS  42           HB2      HIS  42  -1.419  11.344  14.529
  172    HB3  HIS  42           HB3      HIS  42  -2.469   9.934  14.611
  173    H    SER  43           HN       SER  43  -1.195  12.878  13.250
  174    HA   SER  43           HA       SER  43  -0.195  13.995  10.960
  175    HG   SER  43           HG       SER  43  -0.571  15.768  14.177
  176    HB2  SER  43           HB2      SER  43   1.143  14.404  13.635
  177    HB3  SER  43           HB3      SER  43   0.873  15.582  12.351
  178    H    LYS  44           HN       LYS  44   1.871  12.556  13.460
  179    HA   LYS  44           HA       LYS  44   4.279  12.951  12.164
  180    HB2  LYS  44           HB2      LYS  44   3.544  10.889  14.234
  181    HB3  LYS  44           HB3      LYS  44   5.193  11.221  13.729
  182    HG2  LYS  44           HG2      LYS  44   4.895  13.572  14.447
  183    HG3  LYS  44           HG3      LYS  44   3.296  13.147  15.059
  184    HD2  LYS  44           HD2      LYS  44   4.891  13.145  16.872
  185    HD3  LYS  44           HD3      LYS  44   4.356  11.492  16.567
  186    HE2  LYS  44           HE2      LYS  44   6.747  11.522  16.925
  187    HE3  LYS  44           HE3      LYS  44   6.406  11.107  15.245
  188    HZ1  LYS  44           HZ3      LYS  44   6.891  13.393  14.619
  189    HZ2  LYS  44           HZ1      LYS  44   8.215  12.689  15.408
  190    HZ3  LYS  44           HZ2      LYS  44   7.225  13.790  16.237
  191    H    SER  45           HN       SER  45   1.994  10.465  11.525
  192    HA   SER  45           HA       SER  45   3.558   9.601   9.280
  193    HG   SER  45           HG       SER  45   5.055   8.941  10.949
  194    HB2  SER  45           HB2      SER  45   2.740   7.574  11.375
  195    HB3  SER  45           HB3      SER  45   3.451   7.206   9.807
  196    H    THR  46           HN       THR  46   2.028   9.916   7.755
  197    HA   THR  46           HA       THR  46  -0.724   9.156   8.466
  198    HB   THR  46           HB       THR  46   0.078  11.125   6.315
  199    HG1  THR  46           HG1      THR  46  -0.075  11.380   9.060
  200   HG21  THR  46          HG23      THR  46  -2.262  11.912   6.602
  201   HG22  THR  46          HG21      THR  46  -2.547  10.576   7.719
  202   HG23  THR  46          HG22      THR  46  -2.165  10.248   6.028
  203    H    TRP  47           HN       TRP  47  -1.144   7.187   7.661
  204    HA   TRP  47           HA       TRP  47  -0.567   6.767   4.800
  205    HD1  TRP  47           HD1      TRP  47   1.691   6.821   5.725
  206    HE1  TRP  47           HE1      TRP  47   3.968   5.756   6.278
  207    HE3  TRP  47           HE3      TRP  47   0.090   2.136   6.940
  208    HZ2  TRP  47           HZ2      TRP  47   4.947   3.211   7.130
  209    HZ3  TRP  47           HZ3      TRP  47   1.722   0.450   7.611
  210    HH2  TRP  47           HH2      TRP  47   4.091   0.950   7.700
  211    HB2  TRP  47           HB2      TRP  47  -1.060   4.691   6.942
  212    HB3  TRP  47           HB3      TRP  47  -0.863   4.349   5.234
  213    H    LEU  48           HN       LEU  48  -2.245   5.359   3.727
  214    HA   LEU  48           HA       LEU  48  -4.817   5.311   5.022
  215    HG   LEU  48           HG       LEU  48  -4.956   5.784   1.401
  216    HB2  LEU  48           HB2      LEU  48  -6.057   6.585   3.528
  217    HB3  LEU  48           HB3      LEU  48  -4.631   7.560   3.816
  218   HD11  LEU  48          HD11      LEU  48  -5.509   7.823   0.166
  219   HD12  LEU  48          HD12      LEU  48  -6.708   7.481   1.415
  220   HD13  LEU  48          HD13      LEU  48  -5.500   8.735   1.677
  221   HD21  LEU  48          HD23      LEU  48  -2.655   6.363   1.991
  222   HD22  LEU  48          HD21      LEU  48  -3.153   7.136   0.486
  223   HD23  LEU  48          HD22      LEU  48  -3.084   8.073   1.979
  224    H    ILE  49           HN       ILE  49  -6.474   4.278   3.518
  225    HA   ILE  49           HA       ILE  49  -5.184   2.445   1.619
  226    HB   ILE  49           HB       ILE  49  -7.401   1.753   3.560
  227   HG12  ILE  49          HG12      ILE  49  -4.556   0.726   3.359
  228   HG13  ILE  49          HG13      ILE  49  -5.170   1.817   4.600
  229   HG21  ILE  49          HG21      ILE  49  -7.734   0.665   1.401
  230   HG22  ILE  49          HG22      ILE  49  -6.085   0.040   1.456
  231   HG23  ILE  49          HG23      ILE  49  -7.274  -0.504   2.639
  232   HD11  ILE  49          HD13      ILE  49  -6.673   0.083   5.401
  233   HD12  ILE  49          HD11      ILE  49  -6.097  -1.005   4.139
  234   HD13  ILE  49          HD12      ILE  49  -4.999  -0.473   5.412
  235    H    LEU  50           HN       LEU  50  -5.881   3.050  -0.331
  236    HA   LEU  50           HA       LEU  50  -8.369   4.488  -0.649
  237    HG   LEU  50           HG       LEU  50  -5.864   5.932  -1.261
  238    HB2  LEU  50           HB2      LEU  50  -6.080   3.836  -2.453
  239    HB3  LEU  50           HB3      LEU  50  -7.604   4.347  -3.153
  240   HD11  LEU  50          HD11      LEU  50  -5.677   7.488  -3.111
  241   HD12  LEU  50          HD12      LEU  50  -5.092   5.892  -3.581
  242   HD13  LEU  50          HD13      LEU  50  -6.681   6.443  -4.115
  243   HD21  LEU  50          HD23      LEU  50  -8.541   6.652  -2.443
  244   HD22  LEU  50          HD21      LEU  50  -8.237   6.263  -0.751
  245   HD23  LEU  50          HD22      LEU  50  -7.518   7.706  -1.466
  246    H    HIS  51           HN       HIS  51  -7.196   1.311  -1.158
  247    HA   HIS  51           HA       HIS  51  -9.853   0.388  -1.852
  248    HD1  HIS  51           HD1      HIS  51 -11.188   0.534  -4.489
  249    HD2  HIS  51           HD2      HIS  51  -7.472   2.293  -5.046
  250    HE1  HIS  51           HE1      HIS  51 -11.586   2.489  -6.021
  251    HE2  HIS  51           HE2      HIS  51  -9.284   3.393  -6.510
  252    HB2  HIS  51           HB2      HIS  51  -7.522  -0.075  -3.735
  253    HB3  HIS  51           HB3      HIS  51  -9.040  -0.955  -3.809
  254    H    HIS  52           HN       HIS  52  -6.664  -1.097  -2.315
  255    HA   HIS  52           HA       HIS  52  -6.974  -2.664   0.118
  256    HD1  HIS  52           HD1      HIS  52  -8.023  -5.481   0.551
  257    HD2  HIS  52           HD2      HIS  52  -9.672  -3.532  -2.711
  258    HE1  HIS  52           HE1      HIS  52 -10.492  -5.930   0.681
  259    HE2  HIS  52           HE2      HIS  52 -11.483  -4.525  -1.157
  260    HB2  HIS  52           HB2      HIS  52  -6.919  -3.826  -2.643
  261    HB3  HIS  52           HB3      HIS  52  -6.291  -4.736  -1.269
  262    H    LYS  53           HN       LYS  53  -5.252  -0.583  -1.250
  263    HA   LYS  53           HA       LYS  53  -2.670  -1.857  -0.681
  264    HB2  LYS  53           HB2      LYS  53  -3.247   0.170  -2.860
  265    HB3  LYS  53           HB3      LYS  53  -1.647  -0.394  -2.405
  266    HG2  LYS  53           HG2      LYS  53  -2.072  -2.571  -3.226
  267    HG3  LYS  53           HG3      LYS  53  -3.800  -2.244  -3.407
  268    HD2  LYS  53           HD2      LYS  53  -3.257  -0.555  -5.125
  269    HD3  LYS  53           HD3      LYS  53  -1.551  -0.969  -4.961
  270    HE2  LYS  53           HE2      LYS  53  -3.724  -2.887  -5.795
  271    HE3  LYS  53           HE3      LYS  53  -2.637  -2.047  -6.898
  272    HZ1  LYS  53           HZ3      LYS  53  -1.926  -4.106  -4.875
  273    HZ2  LYS  53           HZ1      LYS  53  -0.769  -3.136  -5.664
  274    HZ3  LYS  53           HZ2      LYS  53  -1.749  -4.182  -6.562
  275    H    VAL  54           HN       VAL  54  -1.224  -0.588   0.463
  276    HA   VAL  54           HA       VAL  54  -2.478   1.690   1.811
  277    HB   VAL  54           HB       VAL  54  -1.512  -0.142   3.182
  278   HG11  VAL  54          HG11      VAL  54   0.390  -0.675   1.693
  279   HG12  VAL  54          HG12      VAL  54   1.180   0.808   2.228
  280   HG13  VAL  54          HG13      VAL  54   0.848  -0.481   3.385
  281   HG21  VAL  54          HG23      VAL  54  -0.240   2.569   3.478
  282   HG22  VAL  54          HG21      VAL  54  -1.760   2.011   4.182
  283   HG23  VAL  54          HG22      VAL  54  -0.231   1.316   4.717
  284    H    TYR  55           HN       TYR  55  -1.536   3.724   1.847
  285    HA   TYR  55           HA       TYR  55   0.782   4.126   0.054
  286    HD1  TYR  55           HD2      TYR  55  -3.005   3.940  -0.233
  287    HD2  TYR  55           HD1      TYR  55  -0.184   5.835  -2.796
  288    HE1  TYR  55           HE2      TYR  55  -4.157   2.996  -2.195
  289    HE2  TYR  55           HE1      TYR  55  -1.326   4.904  -4.754
  290    HH   TYR  55           HH       TYR  55  -4.371   3.622  -4.688
  291    HB2  TYR  55           HB2      TYR  55  -1.556   6.015   0.444
  292    HB3  TYR  55           HB3      TYR  55  -0.142   6.332  -0.547
  293    H    ASP  56           HN       ASP  56   1.855   6.322   0.517
  294    HA   ASP  56           HA       ASP  56   1.626   7.044   3.360
  295    HB2  ASP  56           HB2      ASP  56   3.705   5.830   3.163
  296    HB3  ASP  56           HB3      ASP  56   4.191   6.784   1.770
  297    H    LEU  57           HN       LEU  57   1.460   9.245   3.777
  298    HA   LEU  57           HA       LEU  57   2.156  11.028   1.523
  299    HG   LEU  57           HG       LEU  57  -1.603  11.615   1.651
  300    HB2  LEU  57           HB2      LEU  57   0.028  11.679   3.545
  301    HB3  LEU  57           HB3      LEU  57   0.458  12.608   2.145
  302   HD11  LEU  57          HD11      LEU  57  -1.121  10.216  -0.260
  303   HD12  LEU  57          HD12      LEU  57   0.005  11.565  -0.166
  304   HD13  LEU  57          HD13      LEU  57   0.521   9.952   0.325
  305   HD21  LEU  57          HD23      LEU  57  -1.751   9.935   3.343
  306   HD22  LEU  57          HD21      LEU  57  -1.978   9.164   1.773
  307   HD23  LEU  57          HD22      LEU  57  -0.436   9.010   2.614
  308    H    THR  58           HN       THR  58   3.344  10.022   4.216
  309    HA   THR  58           HA       THR  58   3.284  12.026   6.133
  310    HB   THR  58           HB       THR  58   5.566  10.103   5.743
  311    HG1  THR  58           HG1      THR  58   3.981   8.681   5.929
  312   HG21  THR  58          HG23      THR  58   5.758  10.236   8.179
  313   HG22  THR  58          HG21      THR  58   4.414  11.379   8.226
  314   HG23  THR  58          HG22      THR  58   5.931  11.831   7.451
  315    H    LYS  59           HN       LYS  59   5.136  11.885   3.231
  316    HA   LYS  59           HA       LYS  59   6.617  14.292   4.060
  317    HB2  LYS  59           HB2      LYS  59   7.035  12.433   1.707
  318    HB3  LYS  59           HB3      LYS  59   7.925  13.927   1.952
  319    HG2  LYS  59           HG2      LYS  59   9.375  12.374   2.809
  320    HG3  LYS  59           HG3      LYS  59   8.520  12.919   4.251
  321    HD2  LYS  59           HD2      LYS  59   8.713  10.515   4.311
  322    HD3  LYS  59           HD3      LYS  59   7.023  10.950   4.058
  323    HE2  LYS  59           HE2      LYS  59   7.308  10.538   1.644
  324    HE3  LYS  59           HE3      LYS  59   8.976  10.044   1.940
  325    HZ1  LYS  59           HZ3      LYS  59   7.602   8.105   1.814
  326    HZ2  LYS  59           HZ1      LYS  59   6.515   8.718   2.963
  327    HZ3  LYS  59           HZ2      LYS  59   8.096   8.289   3.424
  328    H    PHE  60           HN       PHE  60   3.960  13.217   2.356
  329    HA   PHE  60           HA       PHE  60   4.122  15.022   0.126
  330    HD1  PHE  60           HD2      PHE  60   4.233  14.254  -1.882
  331    HD2  PHE  60           HD1      PHE  60   0.161  13.364  -0.958
  332    HE1  PHE  60           HE2      PHE  60   3.600  14.763  -4.206
  333    HE2  PHE  60           HE1      PHE  60  -0.471  13.879  -3.287
  334    HZ   PHE  60           HZ       PHE  60   1.249  14.587  -4.907
  335    HB2  PHE  60           HB2      PHE  60   3.265  12.577   0.153
  336    HB3  PHE  60           HB3      PHE  60   1.768  13.282   0.749
  337    H    LEU  61           HN       LEU  61   2.990  15.097   3.232
  338    HA   LEU  61           HA       LEU  61   0.472  16.160   3.287
  339    HG   LEU  61           HG       LEU  61   2.368  14.371   4.994
  340    HB2  LEU  61           HB2      LEU  61   2.754  16.844   5.138
  341    HB3  LEU  61           HB3      LEU  61   1.049  17.046   5.487
  342   HD11  LEU  61          HD11      LEU  61   2.103  14.054   7.426
  343   HD12  LEU  61          HD12      LEU  61   3.248  15.330   7.013
  344   HD13  LEU  61          HD13      LEU  61   1.630  15.748   7.567
  345   HD21  LEU  61          HD23      LEU  61  -0.021  14.445   4.461
  346   HD22  LEU  61          HD21      LEU  61   0.301  13.455   5.884
  347   HD23  LEU  61          HD22      LEU  61  -0.357  15.081   6.071
  348    H    GLU  62           HN       GLU  62   3.436  17.833   2.562
  349    HA   GLU  62           HA       GLU  62   2.112  20.435   2.806
  350    HB2  GLU  62           HB2      GLU  62   4.428  21.339   2.751
  351    HB3  GLU  62           HB3      GLU  62   4.146  20.232   4.088
  352    HG2  GLU  62           HG2      GLU  62   5.239  18.435   2.788
  353    HG3  GLU  62           HG3      GLU  62   5.574  19.616   1.516
  354    H    GLU  63           HN       GLU  63   2.750  18.175   0.508
  355    HA   GLU  63           HA       GLU  63   3.438  20.104  -1.629
  356    HB2  GLU  63           HB2      GLU  63   5.026  18.200  -1.116
  357    HB3  GLU  63           HB3      GLU  63   3.756  17.096  -1.616
  358    HG2  GLU  63           HG2      GLU  63   5.294  17.349  -3.415
  359    HG3  GLU  63           HG3      GLU  63   3.782  18.139  -3.856
  360    H    HIS  64           HN       HIS  64   0.927  18.461  -0.305
  361    HA   HIS  64           HA       HIS  64  -0.386  17.899  -2.838
  362    HD1  HIS  64           HD1      HIS  64  -3.479  16.823   0.081
  363    HD2  HIS  64           HD2      HIS  64  -1.966  15.025  -3.403
  364    HE1  HIS  64           HE1      HIS  64  -5.392  15.505  -0.953
  365    HB2  HIS  64           HB3      HIS  64  -0.186  16.001  -1.362
  366    HB3  HIS  64           HB2      HIS  64  -0.936  16.859  -0.054
  367    HA   PRO  65           HA       PRO  65  -2.756  21.599  -2.048
  368    HB2  PRO  65           HB2      PRO  65  -4.548  21.373  -4.056
  369    HB3  PRO  65           HB3      PRO  65  -2.850  21.778  -4.331
  370    HG2  PRO  65           HG2      PRO  65  -4.225  19.128  -4.599
  371    HG3  PRO  65           HG3      PRO  65  -3.070  19.905  -5.700
  372    HD2  PRO  65           HD2      PRO  65  -2.334  17.982  -3.946
  373    HD3  PRO  65           HD3      PRO  65  -1.252  19.308  -4.415
  374    H    GLY  66           HN       GLY  66  -4.252  18.454  -2.157
  375    HA2  GLY  66           HA1      GLY  66  -6.831  19.590  -1.330
  376    HA3  GLY  66           HA2      GLY  66  -6.595  17.996  -2.019
  377    H    GLY  67           HN       GLY  67  -4.730  19.344   0.697
  378    HA2  GLY  67           HA1      GLY  67  -6.266  18.670   2.817
  379    HA3  GLY  67           HA2      GLY  67  -5.603  17.127   2.322
  380    H    GLU  68           HN       GLU  68  -5.348  19.235   4.550
  381    HA   GLU  68           HA       GLU  68  -2.684  18.230   5.223
  382    HB2  GLU  68           HB2      GLU  68  -2.463  20.678   4.603
  383    HB3  GLU  68           HB3      GLU  68  -3.595  21.052   5.897
  384    HG2  GLU  68           HG2      GLU  68  -2.023  20.047   7.520
  385    HG3  GLU  68           HG3      GLU  68  -0.889  19.761   6.205
  386    H    GLU  69           HN       GLU  69  -5.510  20.017   6.257
  387    HA   GLU  69           HA       GLU  69  -5.784  18.849   8.833
  388    HB2  GLU  69           HB2      GLU  69  -7.658  20.319   6.974
  389    HB3  GLU  69           HB3      GLU  69  -8.173  19.731   8.546
  390    HG2  GLU  69           HG2      GLU  69  -5.738  21.374   8.555
  391    HG3  GLU  69           HG3      GLU  69  -7.223  22.206   8.085
  392    H    VAL  70           HN       VAL  70  -7.480  18.391   5.774
  393    HA   VAL  70           HA       VAL  70  -9.372  16.590   6.776
  394    HB   VAL  70           HB       VAL  70  -8.547  16.889   3.892
  395   HG11  VAL  70          HG11      VAL  70 -10.018  15.020   4.202
  396   HG12  VAL  70          HG12      VAL  70 -11.116  15.996   5.182
  397   HG13  VAL  70          HG13      VAL  70 -10.926  16.340   3.464
  398   HG21  VAL  70          HG23      VAL  70 -10.494  18.552   5.493
  399   HG22  VAL  70          HG21      VAL  70  -8.974  19.099   4.786
  400   HG23  VAL  70          HG22      VAL  70 -10.308  18.614   3.740
  401    H    LEU  71           HN       LEU  71  -6.150  16.013   5.643
  402    HA   LEU  71           HA       LEU  71  -6.406  13.378   4.755
  403    HG   LEU  71           HG       LEU  71  -4.680  15.735   3.814
  404    HB2  LEU  71           HB2      LEU  71  -4.095  14.845   6.007
  405    HB3  LEU  71           HB3      LEU  71  -3.957  13.229   5.341
  406   HD11  LEU  71          HD11      LEU  71  -2.551  15.324   2.666
  407   HD12  LEU  71          HD12      LEU  71  -2.326  15.599   4.394
  408   HD13  LEU  71          HD13      LEU  71  -2.245  13.962   3.744
  409   HD21  LEU  71          HD23      LEU  71  -5.905  13.882   2.880
  410   HD22  LEU  71          HD21      LEU  71  -4.548  14.253   1.818
  411   HD23  LEU  71          HD22      LEU  71  -4.462  12.866   2.903
  412    H    ARG  72           HN       ARG  72  -5.985  14.715   7.969
  413    HA   ARG  72           HA       ARG  72  -5.021  12.524   9.352
  414    HE   ARG  72           HE       ARG  72  -9.165  16.523  11.167
  415    HB2  ARG  72           HB2      ARG  72  -5.651  13.682  11.352
  416    HB3  ARG  72           HB3      ARG  72  -5.125  14.876  10.166
  417    HG2  ARG  72           HG2      ARG  72  -7.466  15.276   9.575
  418    HG3  ARG  72           HG3      ARG  72  -7.931  14.121  10.817
  419    HD2  ARG  72           HD2      ARG  72  -7.261  15.528  12.549
  420    HD3  ARG  72           HD3      ARG  72  -6.237  16.494  11.481
  421   HH11  ARG  72          HH12      ARG  72  -6.185  18.173  11.884
  422   HH12  ARG  72          HH11      ARG  72  -6.822  19.764  11.585
  423   HH21  ARG  72          HH22      ARG  72 -10.049  18.613  10.781
  424   HH22  ARG  72          HH21      ARG  72  -9.029  20.015  10.969
  425    H    GLU  73           HN       GLU  73  -8.217  13.029   8.202
  426    HA   GLU  73           HA       GLU  73  -9.399  11.239  10.200
  427    HB2  GLU  73           HB2      GLU  73 -10.898  12.705   8.045
  428    HB3  GLU  73           HB3      GLU  73 -11.487  12.145   9.604
  429    HG2  GLU  73           HG2      GLU  73  -9.854  13.828  10.622
  430    HG3  GLU  73           HG3      GLU  73  -9.748  14.508   8.999
  431    H    GLN  74           HN       GLN  74  -8.435  11.390   6.948
  432    HA   GLN  74           HA       GLN  74  -9.959   9.079   6.047
  433    HB2  GLN  74           HB2      GLN  74  -7.834  10.779   4.724
  434    HB3  GLN  74           HB3      GLN  74  -8.776   9.532   3.918
  435    HG2  GLN  74           HG2      GLN  74 -10.021  11.921   5.240
  436    HG3  GLN  74           HG3      GLN  74  -9.511  11.918   3.555
  437   HE21  GLN  74          HE21      GLN  74 -12.152  12.315   4.531
  438   HE22  GLN  74          HE22      GLN  74 -13.126  11.053   3.866
  439    H    ALA  75           HN       ALA  75  -7.036   9.843   7.533
  440    HA   ALA  75           HA       ALA  75  -5.426   7.696   6.539
  441    HB1  ALA  75           HB3      ALA  75  -4.491   9.842   7.320
  442    HB2  ALA  75           HB1      ALA  75  -4.996   9.440   8.962
  443    HB3  ALA  75           HB2      ALA  75  -3.789   8.448   8.144
  444    H    GLY  76           HN       GLY  76  -5.000   5.753   7.443
  445    HA2  GLY  76           HA1      GLY  76  -4.840   4.419   9.500
  446    HA3  GLY  76           HA2      GLY  76  -6.381   5.118   9.975
  447    H    GLY  77           HN       GLY  77  -7.247   4.811   7.046
  448    HA2  GLY  77           HA1      GLY  77  -7.209   2.058   6.396
  449    HA3  GLY  77           HA2      GLY  77  -8.673   2.417   7.308
  450    H    ASP  78           HN       ASP  78 -10.293   2.433   5.881
  451    HA   ASP  78           HA       ASP  78  -9.939   2.940   3.135
  452    HB2  ASP  78           HB2      ASP  78 -12.524   2.933   4.704
  453    HB3  ASP  78           HB3      ASP  78 -12.387   2.829   2.954
  454    H    ALA  79           HN       ALA  79  -9.721   4.765   2.104
  455    HA   ALA  79           HA       ALA  79 -11.025   7.164   3.217
  456    HB1  ALA  79           HB3      ALA  79  -9.304   8.491   2.166
  457    HB2  ALA  79           HB1      ALA  79  -8.554   7.260   3.184
  458    HB3  ALA  79           HB2      ALA  79  -8.599   7.051   1.433
  459    H    THR  80           HN       THR  80 -11.515   4.870   1.037
  460    HA   THR  80           HA       THR  80 -11.737   6.347  -1.403
  461    HB   THR  80           HB       THR  80 -11.131   3.992  -1.436
  462    HG1  THR  80           HG1      THR  80 -13.568   4.683  -2.718
  463   HG21  THR  80          HG23      THR  80 -12.832   2.252  -1.023
  464   HG22  THR  80          HG21      THR  80 -13.922   3.493  -0.401
  465   HG23  THR  80          HG22      THR  80 -12.402   3.155   0.428
  466    H    GLU  81           HN       GLU  81 -13.476   7.194   0.952
  467    HA   GLU  81           HA       GLU  81 -16.126   6.846  -0.181
  468    HB2  GLU  81           HB2      GLU  81 -16.837   8.436   1.632
  469    HB3  GLU  81           HB3      GLU  81 -16.134   6.932   2.189
  470    HG2  GLU  81           HG2      GLU  81 -14.947   8.219   3.555
  471    HG3  GLU  81           HG3      GLU  81 -13.966   8.589   2.140
  472    H    ASN  82           HN       ASN  82 -13.788   9.430   0.315
  473    HA   ASN  82           HA       ASN  82 -15.083  11.480  -1.100
  474    HB2  ASN  82           HB2      ASN  82 -13.178  11.836   0.420
  475    HB3  ASN  82           HB3      ASN  82 -12.130  10.948  -0.677
  476   HD21  ASN  82          HD21      ASN  82 -13.800  13.893  -0.064
  477   HD22  ASN  82          HD22      ASN  82 -13.037  14.822  -1.312
  478    H    PHE  83           HN       PHE  83 -13.142   8.802  -2.013
  479    HA   PHE  83           HA       PHE  83 -12.234   9.730  -4.534
  480    HD1  PHE  83           HD1      PHE  83  -9.948   9.028  -5.325
  481    HD2  PHE  83           HD2      PHE  83 -12.122   5.383  -5.114
  482    HE1  PHE  83           HE1      PHE  83  -8.793   8.231  -7.341
  483    HE2  PHE  83           HE2      PHE  83 -10.977   4.579  -7.148
  484    HZ   PHE  83           HZ       PHE  83  -9.387   6.014  -8.302
  485    HB2  PHE  83           HB2      PHE  83 -11.037   8.067  -3.149
  486    HB3  PHE  83           HB3      PHE  83 -12.343   6.918  -3.414
  487    H    GLU  84           HN       GLU  84 -15.058   8.147  -3.421
  488    HA   GLU  84           HA       GLU  84 -15.842   7.082  -6.007
  489    HB2  GLU  84           HB2      GLU  84 -17.009   7.004  -3.231
  490    HB3  GLU  84           HB3      GLU  84 -17.925   6.450  -4.626
  491    HG2  GLU  84           HG2      GLU  84 -15.198   5.373  -3.978
  492    HG3  GLU  84           HG3      GLU  84 -16.674   4.691  -3.294
  493    H    ASP  85           HN       ASP  85 -16.003   9.987  -4.463
  494    HA   ASP  85           HA       ASP  85 -18.611  10.779  -5.547
  495    HB2  ASP  85           HB2      ASP  85 -18.355  11.122  -3.137
  496    HB3  ASP  85           HB3      ASP  85 -16.868  12.028  -3.399
  497    H    VAL  86           HN       VAL  86 -15.460  12.364  -4.944
  498    HA   VAL  86           HA       VAL  86 -15.653  13.554  -7.631
  499    HB   VAL  86           HB       VAL  86 -14.180  14.575  -5.191
  500   HG11  VAL  86          HG11      VAL  86 -12.832  15.021  -7.130
  501   HG12  VAL  86          HG12      VAL  86 -14.231  15.652  -8.003
  502   HG13  VAL  86          HG13      VAL  86 -13.600  16.520  -6.604
  503   HG21  VAL  86          HG23      VAL  86 -15.688  16.505  -5.400
  504   HG22  VAL  86          HG21      VAL  86 -16.505  15.710  -6.746
  505   HG23  VAL  86          HG22      VAL  86 -16.575  15.003  -5.133
  506    H    GLY  87           HN       GLY  87 -13.310  12.323  -5.249
  507    HA2  GLY  87           HA1      GLY  87 -11.583  10.836  -5.501
  508    HA3  GLY  87           HA2      GLY  87 -12.204  10.480  -7.103
  509    H    HIS  88           HN       HIS  88 -10.580  10.603  -8.442
  510    HA   HIS  88           HA       HIS  88  -8.915  13.006  -8.453
  511    HD1  HIS  88           HD1      HIS  88  -8.158   9.961  -5.779
  512    HD2  HIS  88           HD2      HIS  88  -6.116  13.372  -7.029
  513    HE1  HIS  88           HE1      HIS  88  -7.059  10.945  -3.702
  514    HB2  HIS  88           HB2      HIS  88  -7.919  10.164  -8.341
  515    HB3  HIS  88           HB3      HIS  88  -6.930  11.480  -8.958
  516    H    SER  89           HN       SER  89  -8.090  13.571 -10.483
  517    HA   SER  89           HA       SER  89  -9.401  12.317 -12.734
  518    HG   SER  89           HG       SER  89  -6.701  15.177 -13.056
  519    HB2  SER  89           HB2      SER  89  -8.244  14.152 -14.025
  520    HB3  SER  89           HB3      SER  89  -9.319  14.715 -12.745
  521    H    THR  90           HN       THR  90  -7.834  12.100 -14.778
  522    HA   THR  90           HA       THR  90  -6.504   9.743 -14.433
  523    HB   THR  90           HB       THR  90  -5.840  11.781 -16.564
  524    HG1  THR  90           HG1      THR  90  -7.793  11.380 -17.319
  525   HG21  THR  90          HG23      THR  90  -5.413   9.753 -17.921
  526   HG22  THR  90          HG21      THR  90  -5.675   8.765 -16.483
  527   HG23  THR  90          HG22      THR  90  -4.318   9.891 -16.544
  528    H    ASP  91           HN       ASP  91  -5.101  12.972 -14.174
  529    HA   ASP  91           HA       ASP  91  -2.394  12.464 -14.373
  530    HB2  ASP  91           HB2      ASP  91  -3.399  14.708 -14.136
  531    HB3  ASP  91           HB3      ASP  91  -3.739  14.365 -12.444
  532    H    ALA  92           HN       ALA  92  -4.350  12.351 -11.401
  533    HA   ALA  92           HA       ALA  92  -2.112  11.652  -9.773
  534    HB1  ALA  92           HB3      ALA  92  -3.995  12.977  -8.934
  535    HB2  ALA  92           HB1      ALA  92  -5.038  11.561  -9.075
  536    HB3  ALA  92           HB2      ALA  92  -3.679  11.549  -7.950
  537    H    ARG  93           HN       ARG  93  -4.009   9.839 -11.824
  538    HA   ARG  93           HA       ARG  93  -4.057   7.395 -10.299
  539    HE   ARG  93           HE       ARG  93  -8.515   8.906 -12.071
  540    HB2  ARG  93           HB2      ARG  93  -4.466   7.925 -13.251
  541    HB3  ARG  93           HB3      ARG  93  -4.791   6.394 -12.445
  542    HG2  ARG  93           HG2      ARG  93  -6.503   7.447 -11.078
  543    HG3  ARG  93           HG3      ARG  93  -6.147   9.011 -11.810
  544    HD2  ARG  93           HD2      ARG  93  -6.777   8.008 -14.026
  545    HD3  ARG  93           HD3      ARG  93  -7.328   6.582 -13.148
  546   HH11  ARG  93          HH12      ARG  93  -8.641   6.841 -14.887
  547   HH12  ARG  93          HH11      ARG  93 -10.333   7.128 -15.190
  548   HH21  ARG  93          HH22      ARG  93 -10.714   9.329 -12.448
  549   HH22  ARG  93          HH21      ARG  93 -11.518   8.587 -13.797
  550    H    GLU  94           HN       GLU  94  -1.791   9.149 -11.971
  551    HA   GLU  94           HA       GLU  94  -0.105   6.845 -12.702
  552    HB2  GLU  94           HB2      GLU  94   0.068   9.723 -13.662
  553    HB3  GLU  94           HB3      GLU  94   0.996   8.359 -14.269
  554    HG2  GLU  94           HG2      GLU  94  -1.999   8.563 -14.490
  555    HG3  GLU  94           HG3      GLU  94  -0.881   9.114 -15.734
  556    H    MET  95           HN       MET  95  -0.281  10.009 -11.294
  557    HA   MET  95           HA       MET  95   2.357  10.409 -10.441
  558    HB2  MET  95           HB2      MET  95   0.504  12.096 -10.696
  559    HB3  MET  95           HB3      MET  95  -0.176  11.483  -9.197
  560    HG2  MET  95           HG2      MET  95   1.025  13.431  -8.658
  561    HG3  MET  95           HG3      MET  95   1.983  12.065  -8.087
  562    HE1  MET  95           HE3      MET  95   3.931  13.922  -7.846
  563    HE2  MET  95           HE1      MET  95   4.557  14.849  -9.209
  564    HE3  MET  95           HE2      MET  95   2.927  15.157  -8.607
  565    H    SER  96           HN       SER  96  -0.351   8.777  -8.965
  566    HA   SER  96           HA       SER  96   0.754   8.814  -6.328
  567    HG   SER  96           HG       SER  96  -2.331   9.545  -7.059
  568    HB2  SER  96           HB2      SER  96  -1.717   7.609  -7.499
  569    HB3  SER  96           HB3      SER  96  -1.262   7.357  -5.811
  570    H    LYS  97           HN       LYS  97   1.320   6.887  -8.954
  571    HA   LYS  97           HA       LYS  97   1.000   4.277  -7.992
  572    HB2  LYS  97           HB2      LYS  97   2.628   5.452 -10.217
  573    HB3  LYS  97           HB3      LYS  97   2.675   3.730  -9.858
  574    HG2  LYS  97           HG2      LYS  97   0.279   3.557 -10.223
  575    HG3  LYS  97           HG3      LYS  97   0.186   5.295 -10.521
  576    HD2  LYS  97           HD2      LYS  97   1.531   5.096 -12.486
  577    HD3  LYS  97           HD3      LYS  97   1.872   3.398 -12.146
  578    HE2  LYS  97           HE2      LYS  97  -0.414   2.803 -12.521
  579    HE3  LYS  97           HE3      LYS  97  -0.884   4.498 -12.650
  580    HZ1  LYS  97           HZ3      LYS  97   0.211   4.713 -14.684
  581    HZ2  LYS  97           HZ1      LYS  97  -0.601   3.234 -14.795
  582    HZ3  LYS  97           HZ2      LYS  97   1.069   3.259 -14.498
  583    H    THR  98           HN       THR  98   3.649   6.502  -7.641
  584    HA   THR  98           HA       THR  98   5.431   4.425  -6.673
  585    HB   THR  98           HB       THR  98   6.964   6.485  -6.350
  586    HG1  THR  98           HG1      THR  98   6.007   8.040  -8.153
  587   HG21  THR  98          HG23      THR  98   7.236   4.840  -8.132
  588   HG22  THR  98          HG21      THR  98   7.538   6.465  -8.741
  589   HG23  THR  98          HG22      THR  98   6.007   5.662  -9.093
  590    H    PHE  99           HN       PHE  99   2.953   6.010  -5.338
  591    HA   PHE  99           HA       PHE  99   4.227   6.366  -2.725
  592    HD1  PHE  99           HD1      PHE  99   3.831   8.779  -1.355
  593    HD2  PHE  99           HD2      PHE  99   2.329   8.825  -5.343
  594    HE1  PHE  99           HE1      PHE  99   4.896  10.959  -1.728
  595    HE2  PHE  99           HE2      PHE  99   3.399  11.009  -5.720
  596    HZ   PHE  99           HZ       PHE  99   4.710  12.067  -3.875
  597    HB2  PHE  99           HB2      PHE  99   1.548   7.219  -3.815
  598    HB3  PHE  99           HB3      PHE  99   1.949   7.308  -2.102
  599    H    ILE 100           HN       ILE 100   2.543   4.118  -4.551
  600    HA   ILE 100           HA       ILE 100   1.064   2.804  -2.481
  601    HB   ILE 100           HB       ILE 100   2.077   1.517  -5.029
  602   HG12  ILE 100          HG12      ILE 100  -0.496   3.053  -4.624
  603   HG13  ILE 100          HG13      ILE 100   0.867   3.584  -5.604
  604   HG21  ILE 100          HG21      ILE 100   1.237  -0.018  -3.372
  605   HG22  ILE 100          HG22      ILE 100  -0.253   0.916  -3.219
  606   HG23  ILE 100          HG23      ILE 100   0.110   0.074  -4.726
  607   HD11  ILE 100          HD13      ILE 100  -0.891   2.694  -7.007
  608   HD12  ILE 100          HD11      ILE 100   0.523   1.642  -7.083
  609   HD13  ILE 100          HD12      ILE 100  -0.872   1.178  -6.110
  610    H    ILE 101           HN       ILE 101   2.444   2.396  -0.751
  611    HA   ILE 101           HA       ILE 101   5.124   1.467  -1.191
  612    HB   ILE 101           HB       ILE 101   5.265   1.348   1.305
  613   HG12  ILE 101          HG12      ILE 101   2.471   2.494   1.131
  614   HG13  ILE 101          HG13      ILE 101   2.897   0.915   1.784
  615   HG21  ILE 101          HG21      ILE 101   5.957   3.298   0.051
  616   HG22  ILE 101          HG22      ILE 101   4.311   3.926   0.083
  617   HG23  ILE 101          HG23      ILE 101   5.227   3.782   1.583
  618   HD11  ILE 101          HD13      ILE 101   2.465   2.592   3.524
  619   HD12  ILE 101          HD11      ILE 101   4.109   1.955   3.595
  620   HD13  ILE 101          HD12      ILE 101   3.806   3.553   2.910
  621    H    GLY 102           HN       GLY 102   2.090  -0.065  -0.475
  622    HA2  GLY 102           HA1      GLY 102   3.063  -2.610  -1.137
  623    HA3  GLY 102           HA2      GLY 102   3.077  -2.470   0.617
  624    H    GLU 103           HN       GLU 103   1.534  -4.354   0.137
  625    HA   GLU 103           HA       GLU 103  -1.190  -3.268  -0.115
  626    HB2  GLU 103           HB2      GLU 103  -0.311  -6.139  -0.492
  627    HB3  GLU 103           HB3      GLU 103  -1.941  -5.520  -0.692
  628    HG2  GLU 103           HG2      GLU 103  -0.936  -4.013  -2.507
  629    HG3  GLU 103           HG3      GLU 103   0.459  -5.085  -2.429
  630    H    LEU 104           HN       LEU 104  -2.689  -5.092   1.177
  631    HA   LEU 104           HA       LEU 104  -1.635  -4.811   3.891
  632    HG   LEU 104           HG       LEU 104  -4.870  -3.138   4.349
  633    HB2  LEU 104           HB2      LEU 104  -4.433  -5.104   2.853
  634    HB3  LEU 104           HB3      LEU 104  -4.061  -5.353   4.545
  635   HD11  LEU 104          HD11      LEU 104  -1.864  -3.085   4.500
  636   HD12  LEU 104          HD12      LEU 104  -2.922  -1.759   4.976
  637   HD13  LEU 104          HD13      LEU 104  -2.992  -3.294   5.841
  638   HD21  LEU 104          HD23      LEU 104  -3.949  -1.493   2.788
  639   HD22  LEU 104          HD21      LEU 104  -2.890  -2.731   2.112
  640   HD23  LEU 104          HD22      LEU 104  -4.640  -2.877   1.942
  641    H    HIS 105           HN       HIS 105  -2.313  -6.457   5.492
  642    HA   HIS 105           HA       HIS 105  -1.303  -9.007   4.748
  643    HD1  HIS 105           HD1      HIS 105  -3.526 -10.353   8.237
  644    HD2  HIS 105           HD2      HIS 105   0.413 -10.426   6.891
  645    HE1  HIS 105           HE1      HIS 105  -2.592 -12.556   9.007
  646    HE2  HIS 105           HE2      HIS 105  -0.224 -12.617   8.116
  647    HB2  HIS 105           HB2      HIS 105  -1.059  -7.949   6.999
  648    HB3  HIS 105           HB3      HIS 105  -2.783  -8.159   7.260
  649    HA   PRO 106           HA       PRO 106  -5.007 -11.546   3.798
  650    HB2  PRO 106           HB2      PRO 106  -3.731 -13.072   6.043
  651    HB3  PRO 106           HB3      PRO 106  -4.440 -13.682   4.544
  652    HG2  PRO 106           HG2      PRO 106  -1.802 -13.453   4.825
  653    HG3  PRO 106           HG3      PRO 106  -2.593 -13.101   3.278
  654    HD2  PRO 106           HD2      PRO 106  -1.360 -11.255   5.228
  655    HD3  PRO 106           HD3      PRO 106  -1.645 -11.036   3.491
  656    H    ASP 107           HN       ASP 107  -6.271  -9.857   4.707
  657    HA   ASP 107           HA       ASP 107  -7.834 -10.386   6.987
  658    HB2  ASP 107           HB2      ASP 107  -5.633  -9.517   8.034
  659    HB3  ASP 107           HB3      ASP 107  -6.004  -7.964   7.286
  660    H    ASP 108           HN       ASP 108  -6.328  -8.023   4.910
  661    HA   ASP 108           HA       ASP 108  -8.973  -7.075   4.019
  662    HB2  ASP 108           HB2      ASP 108  -7.795  -5.235   5.054
  663    HB3  ASP 108           HB3      ASP 108  -6.316  -5.638   4.182
  664    H    ARG 109           HN       ARG 109  -5.641  -7.799   3.113
  665    HA   ARG 109           HA       ARG 109  -5.560  -7.572   0.410
  666    HE   ARG 109           HE       ARG 109  -4.098 -11.911   0.974
  667    HB2  ARG 109           HB2      ARG 109  -3.718  -8.457   1.865
  668    HB3  ARG 109           HB3      ARG 109  -4.562 -10.001   1.917
  669    HG2  ARG 109           HG2      ARG 109  -4.437  -9.933  -0.640
  670    HG3  ARG 109           HG3      ARG 109  -3.238  -8.662  -0.408
  671    HD2  ARG 109           HD2      ARG 109  -2.023 -10.658  -0.624
  672    HD3  ARG 109           HD3      ARG 109  -2.013 -10.273   1.096
  673   HH11  ARG 109          HH12      ARG 109  -0.903 -12.209  -0.452
  674   HH12  ARG 109          HH11      ARG 109  -0.916 -13.941  -0.415
  675   HH21  ARG 109          HH22      ARG 109  -4.108 -14.187   1.061
  676   HH22  ARG 109          HH21      ARG 109  -2.740 -15.074   0.459
  677    HA   PRO 110           HA       PRO 110  -9.205  -9.146  -1.255
  678    HB2  PRO 110           HB2      PRO 110  -7.415 -10.660  -3.114
  679    HB3  PRO 110           HB3      PRO 110  -8.867  -9.706  -3.456
  680    HG2  PRO 110           HG2      PRO 110  -6.300  -8.751  -3.716
  681    HG3  PRO 110           HG3      PRO 110  -7.729  -7.737  -3.468
  682    HD2  PRO 110           HD2      PRO 110  -5.511  -8.175  -1.672
  683    HD3  PRO 110           HD3      PRO 110  -6.916  -7.119  -1.437
  684    H    LYS 111           HN       LYS 111 -10.098 -10.390   0.200
  685    HA   LYS 111           HA       LYS 111  -9.115 -12.960   0.943
  686    HB2  LYS 111           HB2      LYS 111 -11.706 -11.481   1.475
  687    HB3  LYS 111           HB3      LYS 111 -11.313 -13.042   2.193
  688    HG2  LYS 111           HG2      LYS 111  -9.394 -12.102   3.300
  689    HG3  LYS 111           HG3      LYS 111  -9.637 -10.553   2.492
  690    HD2  LYS 111           HD2      LYS 111 -11.732 -11.751   4.273
  691    HD3  LYS 111           HD3      LYS 111 -10.402 -10.784   4.914
  692    HE2  LYS 111           HE2      LYS 111 -11.147  -9.083   3.075
  693    HE3  LYS 111           HE3      LYS 111 -12.671  -9.965   3.157
  694    HZ1  LYS 111           HZ3      LYS 111 -11.304  -8.699   5.474
  695    HZ2  LYS 111           HZ1      LYS 111 -12.804  -9.491   5.519
  696    HZ3  LYS 111           HZ2      LYS 111 -12.627  -8.043   4.648
  697    H    LEU 112           HN       LEU 112  -9.014 -14.329  -0.724
  698    HA   LEU 112           HA       LEU 112  -9.754 -15.930  -2.166
  699    HG   LEU 112           HG       LEU 112 -12.187 -15.932  -4.146
  700    HB2  LEU 112           HB2      LEU 112 -11.980 -16.008  -1.126
  701    HB3  LEU 112           HB3      LEU 112 -12.469 -14.611  -2.066
  702   HD11  LEU 112          HD11      LEU 112 -10.512 -17.540  -3.292
  703   HD12  LEU 112          HD12      LEU 112 -11.765 -18.271  -2.287
  704   HD13  LEU 112          HD13      LEU 112 -11.898 -18.334  -4.044
  705   HD21  LEU 112          HD23      LEU 112 -14.196 -17.277  -3.840
  706   HD22  LEU 112          HD21      LEU 112 -13.997 -17.187  -2.089
  707   HD23  LEU 112          HD22      LEU 112 -14.354 -15.728  -3.012
  708    H    ASN 113           HN       ASN 113  -9.154 -15.935  -4.215
  709    HA   ASN 113           HA       ASN 113  -9.180 -15.527  -6.448
  710    HB2  ASN 113           HB2      ASN 113 -11.678 -15.084  -5.838
  711    HB3  ASN 113           HB3      ASN 113 -11.261 -13.399  -6.140
  712   HD21  ASN 113          HD21      ASN 113 -10.647 -12.776  -8.215
  713   HD22  ASN 113          HD22      ASN 113 -11.019 -13.744  -9.599
  714    H    LYS 114           HN       LYS 114  -7.131 -14.444  -5.359
  715    HA   LYS 114           HA       LYS 114  -6.887 -11.798  -6.625
  716    HB2  LYS 114           HB2      LYS 114  -6.695 -11.627  -4.150
  717    HB3  LYS 114           HB3      LYS 114  -5.342 -12.749  -4.195
  718    HG2  LYS 114           HG2      LYS 114  -4.144 -11.099  -5.674
  719    HG3  LYS 114           HG3      LYS 114  -5.456  -9.963  -5.347
  720    HD2  LYS 114           HD2      LYS 114  -4.972 -10.342  -2.877
  721    HD3  LYS 114           HD3      LYS 114  -3.497 -11.157  -3.386
  722    HE2  LYS 114           HE2      LYS 114  -4.218  -8.302  -4.056
  723    HE3  LYS 114           HE3      LYS 114  -3.158  -8.790  -2.739
  724    HZ1  LYS 114           HZ3      LYS 114  -1.732  -8.224  -4.456
  725    HZ2  LYS 114           HZ1      LYS 114  -2.679  -8.981  -5.644
  726    HZ3  LYS 114           HZ2      LYS 114  -1.798  -9.918  -4.549
  727    HA   PRO 115           HA       PRO 115  -4.323 -14.292  -9.262
  728    HB2  PRO 115           HB2      PRO 115  -3.204 -12.144 -10.627
  729    HB3  PRO 115           HB3      PRO 115  -4.693 -12.983 -11.065
  730    HG2  PRO 115           HG2      PRO 115  -4.318 -10.400  -9.659
  731    HG3  PRO 115           HG3      PRO 115  -5.619 -10.918 -10.743
  732    HD2  PRO 115           HD2      PRO 115  -5.913 -10.751  -8.042
  733    HD3  PRO 115           HD3      PRO 115  -6.813 -11.907  -9.040
  734    HA   PRO 116           HA       PRO 116  -0.545 -13.948  -6.998
  735    HB2  PRO 116           HB2      PRO 116   0.415 -16.378  -8.014
  736    HB3  PRO 116           HB3      PRO 116  -0.596 -16.158  -6.586
  737    HG2  PRO 116           HG2      PRO 116  -1.340 -17.444  -8.987
  738    HG3  PRO 116           HG3      PRO 116  -2.401 -17.000  -7.642
  739    HD2  PRO 116           HD2      PRO 116  -1.910 -15.591 -10.215
  740    HD3  PRO 116           HD3      PRO 116  -3.390 -15.683  -9.238
  741    H    GLU 117           HN       GLU 117   1.609 -15.572  -8.195
  742    HA   GLU 117           HA       GLU 117   3.467 -13.826  -8.847
  743    HB2  GLU 117           HB2      GLU 117   3.345 -16.282 -10.560
  744    HB3  GLU 117           HB3      GLU 117   4.737 -15.513  -9.817
  745    HG2  GLU 117           HG2      GLU 117   2.630 -17.160  -8.443
  746    HG3  GLU 117           HG3      GLU 117   4.316 -17.578  -8.707
  747    H    THR 118           HN       THR 118   1.431 -15.262 -11.417
  748    HA   THR 118           HA       THR 118   2.832 -13.630 -13.374
  749    HB   THR 118           HB       THR 118   2.560 -15.992 -13.843
  750    HG1  THR 118           HG1      THR 118   1.292 -14.111 -15.532
  751   HG21  THR 118          HG23      THR 118  -0.403 -15.427 -13.765
  752   HG22  THR 118          HG21      THR 118   0.515 -16.509 -12.716
  753   HG23  THR 118          HG22      THR 118   0.316 -16.895 -14.424
  754    H    LEU 119           HN       LEU 119   0.225 -13.129 -11.493
  755    HA   LEU 119           HA       LEU 119  -1.659 -11.894 -11.549
  756    HG   LEU 119           HG       LEU 119  -0.018  -8.631 -11.644
  757    HB2  LEU 119           HB2      LEU 119   0.062 -10.370 -13.484
  758    HB3  LEU 119           HB3      LEU 119  -1.521  -9.804 -12.993
  759   HD11  LEU 119          HD11      LEU 119  -0.933 -10.988 -10.005
  760   HD12  LEU 119          HD12      LEU 119  -0.434  -9.416  -9.377
  761   HD13  LEU 119          HD13      LEU 119  -1.879  -9.546 -10.376
  762   HD21  LEU 119          HD23      LEU 119   1.406 -11.232 -11.147
  763   HD22  LEU 119          HD21      LEU 119   1.994  -9.860 -12.090
  764   HD23  LEU 119          HD22      LEU 119   1.779  -9.708 -10.346
  765    H    ILE 120           HN       ILE 120  -1.103 -11.086 -14.893
  766    HA   ILE 120           HA       ILE 120  -3.742 -12.260 -15.491
  767    HB   ILE 120           HB       ILE 120  -2.442  -9.866 -16.798
  768   HG12  ILE 120          HG12      ILE 120  -3.005  -9.399 -14.441
  769   HG13  ILE 120          HG13      ILE 120  -4.010  -8.473 -15.547
  770   HG21  ILE 120          HG21      ILE 120  -5.237 -10.972 -17.020
  771   HG22  ILE 120          HG22      ILE 120  -4.669  -9.470 -17.751
  772   HG23  ILE 120          HG23      ILE 120  -3.986 -11.013 -18.263
  773   HD11  ILE 120          HD13      ILE 120  -4.859 -11.003 -14.161
  774   HD12  ILE 120          HD11      ILE 120  -5.238  -9.370 -13.616
  775   HD13  ILE 120          HD12      ILE 120  -5.869  -9.955 -15.156
  776    H    THR 121           HN       THR 121  -3.745 -13.830 -16.980
  777    HA   THR 121           HA       THR 121  -1.399 -14.133 -18.719
  778    HB   THR 121           HB       THR 121  -2.291 -16.493 -19.028
  779    HG1  THR 121           HG1      THR 121  -4.365 -16.393 -18.335
  780   HG21  THR 121          HG23      THR 121  -1.529 -15.637 -16.230
  781   HG22  THR 121          HG21      THR 121  -0.412 -16.032 -17.536
  782   HG23  THR 121          HG22      THR 121  -1.448 -17.286 -16.853
  783    H    THR 122           HN       THR 122  -3.040 -12.199 -19.641
  784    HA   THR 122           HA       THR 122  -4.938 -13.321 -21.525
  785    HB   THR 122           HB       THR 122  -5.053 -10.862 -22.281
  786    HG1  THR 122           HG1      THR 122  -3.850  -9.461 -21.229
  787   HG21  THR 122          HG23      THR 122  -6.730 -11.965 -20.825
  788   HG22  THR 122          HG21      THR 122  -6.502 -10.262 -20.429
  789   HG23  THR 122          HG22      THR 122  -5.771 -11.506 -19.418
  790    H    ILE 123           HN       ILE 123  -1.640 -12.881 -21.444
  791    HA   ILE 123           HA       ILE 123  -1.468 -12.717 -24.368
  792    HB   ILE 123           HB       ILE 123   0.915 -12.127 -24.102
  793   HG12  ILE 123          HG12      ILE 123   1.041 -13.148 -21.715
  794   HG13  ILE 123          HG13      ILE 123   1.981 -11.708 -22.076
  795   HG21  ILE 123          HG21      ILE 123  -1.035 -10.307 -22.715
  796   HG22  ILE 123          HG22      ILE 123   0.549  -9.823 -23.319
  797   HG23  ILE 123          HG23      ILE 123  -0.691 -10.380 -24.442
  798   HD11  ILE 123          HD13      ILE 123   1.121 -11.124 -20.055
  799   HD12  ILE 123          HD11      ILE 123  -0.148 -10.493 -21.102
  800   HD13  ILE 123          HD12      ILE 123  -0.368 -12.039 -20.287
  801    H    ASP 124           HN       ASP 124  -2.304 -15.028 -23.736
  802    HA   ASP 124           HA       ASP 124  -0.265 -16.883 -22.894
  803    HB2  ASP 124           HB2      ASP 124  -2.008 -18.569 -23.083
  804    HB3  ASP 124           HB3      ASP 124  -2.655 -17.157 -22.254
  805    H    SER 125           HN       SER 125  -1.021 -19.078 -24.583
  806    HA   SER 125           HA       SER 125   0.797 -18.547 -26.733
  807    HG   SER 125           HG       SER 125   1.472 -20.610 -27.765
  808    HB2  SER 125           HB2      SER 125   0.778 -20.712 -25.534
  809    HB3  SER 125           HB3      SER 125  -0.836 -21.034 -26.163
  810    H    SER 126           HN       SER 126  -2.632 -19.096 -26.400
  811    HA   SER 126           HA       SER 126  -4.423 -18.818 -27.699
  812    HG   SER 126           HG       SER 126  -1.736 -17.121 -28.976
  813    HB2  SER 126           HB2      SER 126  -4.446 -16.812 -29.140
  814    HB3  SER 126           HB3      SER 126  -3.831 -16.520 -27.518
  815    H    SER 127           HN       SER 127  -1.953 -20.376 -29.003
  816    HA   SER 127           HA       SER 127  -1.580 -21.595 -30.887
  817    HG   SER 127           HG       SER 127  -4.684 -22.283 -29.589
  818    HB2  SER 127           HB2      SER 127  -4.546 -21.174 -31.378
  819    HB3  SER 127           HB3      SER 127  -3.541 -22.438 -32.086
  820    H    SER 128           HN       SER 128  -2.644 -21.386 -33.512
  821    HA   SER 128           HA       SER 128  -2.735 -18.626 -34.281
  822    HG   SER 128           HG       SER 128  -0.580 -21.179 -35.465
  823    HB2  SER 128           HB2      SER 128  -0.724 -18.857 -35.828
  824    HB3  SER 128           HB3      SER 128  -0.365 -18.701 -34.108
  825    HHA  HEM 129           HHA      HEM 129  -5.269  17.182  -6.618
  826    HHB  HEM 129           HHB      HEM 129  -1.567  11.934  -6.025
  827    HHC  HEM 129           HHC      HEM 129  -4.638  10.411  -0.648
  828    HHD  HEM 129           HHD      HEM 129  -8.844  15.209  -1.643
  829    HAB  HEM 129           HAB      HEM 129  -2.278   9.035  -0.809
  830    HAC  HEM 129           HAC      HEM 129  -9.714  13.847   0.029
  831   HMA1  HEM 129          HMA1      HEM 129  -1.059  14.874  -8.650
  832   HMA2  HEM 129          HMA2      HEM 129  -0.275  14.219  -7.211
  833   HMA3  HEM 129          HMA3      HEM 129  -1.187  13.156  -8.295
  834   HAA1  HEM 129          HAA1      HEM 129  -2.504  16.754  -8.798
  835   HAA2  HEM 129          HAA2      HEM 129  -3.212  15.478  -9.120
  836   HBA1  HEM 129          HBA1      HEM 129  -4.839  17.547  -9.479
  837   HBA2  HEM 129          HBA2      HEM 129  -5.588  16.174  -8.638
  838   HMB1  HEM 129          HMB1      HEM 129   0.379  10.941  -3.326
  839   HMB2  HEM 129          HMB2      HEM 129  -0.304   9.681  -4.548
  840   HMB3  HEM 129          HMB3      HEM 129  -0.456   9.741  -3.032
  841   HBB1  HEM 129          HBB1      HEM 129  -3.294   7.928  -3.458
  842   HBB2  HEM 129          HBB2      HEM 129  -2.705   6.983  -1.955
  843   HMC1  HEM 129          HMC1      HEM 129  -7.309  11.305   1.798
  844   HMC2  HEM 129          HMC2      HEM 129  -7.241  10.052   0.555
  845   HMC3  HEM 129          HMC3      HEM 129  -5.740  10.765   1.247
  846   HBC1  HEM 129          HBC1      HEM 129  -9.786  13.664   2.377
  847   HBC2  HEM 129          HBC2      HEM 129  -8.120  12.855   2.440
  848   HMD1  HEM 129          HMD1      HEM 129  -9.705  17.120  -2.242
  849   HMD2  HEM 129          HMD2      HEM 129  -9.763  18.286  -3.708
  850   HMD3  HEM 129          HMD3      HEM 129  -8.641  18.095  -2.713
  851   HAD1  HEM 129          HAD1      HEM 129  -7.146  18.974  -6.029
  852   HAD2  HEM 129          HAD2      HEM 129  -7.151  17.609  -6.676
  853   HBD1  HEM 129          HBD1      HEM 129  -9.183  18.962  -7.342
  854   HBD2  HEM 129          HBD2      HEM 129  -9.829  17.591  -6.420
  Start of MODEL   17
    1    HA   MET  21           HA       MET  21 -11.708 -15.151 -11.462
    2    H1   MET  21           1H       MET  21  -9.798 -13.265 -12.266
    3    HB2  MET  21           HB2      MET  21 -11.078 -16.245 -13.637
    4    HB3  MET  21           HB3      MET  21  -9.431 -16.372 -13.041
    5    HG2  MET  21           HG2      MET  21 -10.191 -17.779 -11.210
    6    HG3  MET  21           HG3      MET  21 -11.846 -17.670 -11.809
    7    HE1  MET  21           HE3      MET  21 -12.540 -18.504 -14.244
    8    HE2  MET  21           HE1      MET  21 -11.142 -17.822 -15.072
    9    HE3  MET  21           HE2      MET  21 -11.533 -19.528 -15.269
   10    H    ALA  22           HN       ALA  22  -8.186 -15.049 -11.946
   11    HA   ALA  22           HA       ALA  22  -7.804 -14.750  -9.072
   12    HB1  ALA  22           HB3      ALA  22  -7.657 -17.159  -9.456
   13    HB2  ALA  22           HB1      ALA  22  -6.430 -16.898 -10.694
   14    HB3  ALA  22           HB2      ALA  22  -6.085 -16.494  -9.012
   15    H    GLU  23           HN       GLU  23  -5.121 -14.711  -8.900
   16    HA   GLU  23           HA       GLU  23  -4.511 -12.349 -10.491
   17    HB2  GLU  23           HB2      GLU  23  -2.478 -12.214  -8.970
   18    HB3  GLU  23           HB3      GLU  23  -4.049 -12.002  -8.211
   19    HG2  GLU  23           HG2      GLU  23  -2.625 -14.644  -8.228
   20    HG3  GLU  23           HG3      GLU  23  -2.340 -13.427  -6.985
   21    H    GLN  24           HN       GLN  24  -2.492 -12.069 -11.542
   22    HA   GLN  24           HA       GLN  24  -1.239 -14.601 -12.376
   23    HB2  GLN  24           HB2      GLN  24  -1.670 -12.101 -14.023
   24    HB3  GLN  24           HB3      GLN  24  -0.725 -13.487 -14.543
   25    HG2  GLN  24           HG2      GLN  24  -2.736 -14.893 -14.379
   26    HG3  GLN  24           HG3      GLN  24  -3.667 -13.467 -13.923
   27   HE21  GLN  24          HE21      GLN  24  -2.041 -15.121 -16.509
   28   HE22  GLN  24          HE22      GLN  24  -2.708 -14.179 -17.796
   29    H    SER  25           HN       SER  25  -0.774 -11.114 -11.916
   30    HA   SER  25           HA       SER  25   2.129 -11.560 -11.645
   31    HG   SER  25           HG       SER  25   1.251 -11.103 -13.820
   32    HB2  SER  25           HB2      SER  25   0.625  -9.001 -12.250
   33    HB3  SER  25           HB3      SER  25   2.373  -9.232 -12.320
   34    H    ASP  26           HN       ASP  26  -0.609 -11.158  -9.903
   35    HA   ASP  26           HA       ASP  26   0.358  -9.082  -8.104
   36    HB2  ASP  26           HB2      ASP  26  -2.345 -10.376  -7.888
   37    HB3  ASP  26           HB3      ASP  26  -1.862  -8.727  -7.493
   38    H    GLU  27           HN       GLU  27   1.191 -12.027  -8.166
   39    HA   GLU  27           HA       GLU  27  -0.040 -13.555  -6.256
   40    HB2  GLU  27           HB2      GLU  27   2.887 -13.555  -6.975
   41    HB3  GLU  27           HB3      GLU  27   2.023 -14.868  -6.186
   42    HG2  GLU  27           HG2      GLU  27   0.607 -15.124  -8.152
   43    HG3  GLU  27           HG3      GLU  27   1.465 -13.800  -8.941
   44    H    ALA  28           HN       ALA  28   3.034 -11.838  -5.735
   45    HA   ALA  28           HA       ALA  28   2.445 -11.968  -2.865
   46    HB1  ALA  28           HB3      ALA  28   4.707 -12.555  -2.383
   47    HB2  ALA  28           HB1      ALA  28   4.087 -13.676  -3.597
   48    HB3  ALA  28           HB2      ALA  28   5.168 -12.369  -4.077
   49    H    VAL  29           HN       VAL  29   1.693  -9.676  -3.676
   50    HA   VAL  29           HA       VAL  29   3.711  -7.639  -3.488
   51    HB   VAL  29           HB       VAL  29   0.776  -7.456  -2.740
   52   HG11  VAL  29          HG11      VAL  29   2.173  -5.619  -1.883
   53   HG12  VAL  29          HG12      VAL  29   2.745  -5.295  -3.518
   54   HG13  VAL  29          HG13      VAL  29   1.042  -5.057  -3.113
   55   HG21  VAL  29          HG23      VAL  29   0.399  -6.603  -4.998
   56   HG22  VAL  29          HG21      VAL  29   2.096  -6.876  -5.393
   57   HG23  VAL  29          HG22      VAL  29   1.041  -8.246  -5.042
   58    H    LYS  30           HN       LYS  30   4.626  -6.791  -1.588
   59    HA   LYS  30           HA       LYS  30   4.438  -8.396   0.721
   60    HB2  LYS  30           HB2      LYS  30   6.421  -6.951   0.240
   61    HB3  LYS  30           HB3      LYS  30   5.444  -5.545   0.652
   62    HG2  LYS  30           HG2      LYS  30   5.036  -6.647   2.890
   63    HG3  LYS  30           HG3      LYS  30   6.301  -7.793   2.448
   64    HD2  LYS  30           HD2      LYS  30   7.863  -5.906   2.172
   65    HD3  LYS  30           HD3      LYS  30   6.592  -4.804   2.708
   66    HE2  LYS  30           HE2      LYS  30   7.869  -7.031   4.286
   67    HE3  LYS  30           HE3      LYS  30   8.021  -5.300   4.572
   68    HZ1  LYS  30           HZ3      LYS  30   6.459  -6.308   6.117
   69    HZ2  LYS  30           HZ1      LYS  30   5.517  -6.892   4.840
   70    HZ3  LYS  30           HZ2      LYS  30   5.649  -5.226   5.103
   71    H    TYR  31           HN       TYR  31   3.290  -8.150   2.617
   72    HA   TYR  31           HA       TYR  31   1.025  -6.328   2.381
   73    HD1  TYR  31           HD2      TYR  31  -0.366  -7.417   1.025
   74    HD2  TYR  31           HD1      TYR  31   0.899 -10.891   3.143
   75    HE1  TYR  31           HE2      TYR  31  -1.027  -8.819  -0.884
   76    HE2  TYR  31           HE1      TYR  31   0.246 -12.298   1.240
   77    HH   TYR  31           HH       TYR  31  -1.382 -12.120  -0.733
   78    HB2  TYR  31           HB2      TYR  31   1.271  -8.806   4.100
   79    HB3  TYR  31           HB3      TYR  31  -0.171  -7.823   3.884
   80    H    TYR  32           HN       TYR  32   0.161  -5.510   4.451
   81    HA   TYR  32           HA       TYR  32   2.123  -5.384   6.627
   82    HD1  TYR  32           HD1      TYR  32   1.932  -3.328   3.475
   83    HD2  TYR  32           HD2      TYR  32   3.566  -2.494   7.324
   84    HE1  TYR  32           HE1      TYR  32   3.996  -2.518   2.420
   85    HE2  TYR  32           HE2      TYR  32   5.650  -1.686   6.270
   86    HH   TYR  32           HH       TYR  32   6.862  -1.947   4.144
   87    HB2  TYR  32           HB2      TYR  32   0.480  -3.095   5.513
   88    HB3  TYR  32           HB3      TYR  32   1.243  -3.043   7.100
   89    H    THR  33           HN       THR  33   0.955  -4.765   8.731
   90    HA   THR  33           HA       THR  33  -1.409  -6.460   8.819
   91    HB   THR  33           HB       THR  33  -1.226  -6.204  11.294
   92    HG1  THR  33           HG1      THR  33   1.102  -4.720  10.554
   93   HG21  THR  33          HG23      THR  33  -0.184  -8.051  10.040
   94   HG22  THR  33          HG21      THR  33   0.710  -7.623  11.499
   95   HG23  THR  33          HG22      THR  33   1.300  -7.098   9.920
   96    H    LEU  34           HN       LEU  34  -3.368  -5.865   9.723
   97    HA   LEU  34           HA       LEU  34  -4.268  -3.365   8.696
   98    HG   LEU  34           HG       LEU  34  -6.993  -3.272  10.138
   99    HB2  LEU  34           HB2      LEU  34  -5.566  -5.479   8.662
  100    HB3  LEU  34           HB3      LEU  34  -5.728  -5.396  10.402
  101   HD11  LEU  34          HD11      LEU  34  -7.813  -2.687   7.888
  102   HD12  LEU  34          HD12      LEU  34  -6.059  -2.546   8.020
  103   HD13  LEU  34          HD13      LEU  34  -6.773  -3.939   7.208
  104   HD21  LEU  34          HD23      LEU  34  -8.096  -5.635   8.623
  105   HD22  LEU  34          HD21      LEU  34  -8.181  -5.381  10.367
  106   HD23  LEU  34          HD22      LEU  34  -9.039  -4.296   9.274
  107    H    GLU  35           HN       GLU  35  -3.379  -4.600  11.795
  108    HA   GLU  35           HA       GLU  35  -4.561  -2.546  13.392
  109    HB2  GLU  35           HB2      GLU  35  -3.097  -3.485  15.199
  110    HB3  GLU  35           HB3      GLU  35  -4.185  -4.641  14.450
  111    HG2  GLU  35           HG2      GLU  35  -1.433  -4.443  13.359
  112    HG3  GLU  35           HG3      GLU  35  -1.635  -5.178  14.948
  113    H    GLU  36           HN       GLU  36  -1.542  -2.930  11.733
  114    HA   GLU  36           HA       GLU  36  -0.127  -1.064  13.406
  115    HB2  GLU  36           HB2      GLU  36   1.796  -1.567  12.150
  116    HB3  GLU  36           HB3      GLU  36   0.893  -3.074  12.174
  117    HG2  GLU  36           HG2      GLU  36   0.128  -2.719   9.922
  118    HG3  GLU  36           HG3      GLU  36   0.864  -1.115   9.890
  119    H    ILE  37           HN       ILE  37  -1.855  -1.024  10.434
  120    HA   ILE  37           HA       ILE  37  -0.867   1.476   9.494
  121    HB   ILE  37           HB       ILE  37  -3.395  -0.010   8.718
  122   HG12  ILE  37          HG12      ILE  37  -0.631   0.010   7.476
  123   HG13  ILE  37          HG13      ILE  37  -1.363  -1.327   8.356
  124   HG21  ILE  37          HG21      ILE  37  -3.344   1.330   6.667
  125   HG22  ILE  37          HG22      ILE  37  -3.486   2.365   8.087
  126   HG23  ILE  37          HG23      ILE  37  -1.935   2.206   7.261
  127   HD11  ILE  37          HD13      ILE  37  -2.246  -0.205   5.710
  128   HD12  ILE  37          HD11      ILE  37  -1.495  -1.772   6.016
  129   HD13  ILE  37          HD12      ILE  37  -3.119  -1.441   6.616
  130    H    GLN  38           HN       GLN  38  -3.417   0.425  11.575
  131    HA   GLN  38           HA       GLN  38  -4.840   2.848  11.839
  132    HB2  GLN  38           HB2      GLN  38  -4.476   0.430  13.594
  133    HB3  GLN  38           HB3      GLN  38  -5.434   1.806  14.115
  134    HG2  GLN  38           HG2      GLN  38  -5.947   0.369  11.526
  135    HG3  GLN  38           HG3      GLN  38  -6.695  -0.108  13.050
  136   HE21  GLN  38          HE21      GLN  38  -6.461   2.449  10.651
  137   HE22  GLN  38          HE22      GLN  38  -7.944   3.224  11.090
  138    H    LYS  39           HN       LYS  39  -1.999   1.548  13.505
  139    HA   LYS  39           HA       LYS  39  -1.942   3.830  15.299
  140    HB2  LYS  39           HB2      LYS  39   0.108   2.661  16.211
  141    HB3  LYS  39           HB3      LYS  39  -1.403   1.771  16.324
  142    HG2  LYS  39           HG2      LYS  39  -0.751   0.563  14.241
  143    HG3  LYS  39           HG3      LYS  39   0.828   1.335  14.367
  144    HD2  LYS  39           HD2      LYS  39   1.080  -0.791  15.378
  145    HD3  LYS  39           HD3      LYS  39   0.950   0.362  16.707
  146    HE2  LYS  39           HE2      LYS  39  -1.479  -1.046  15.663
  147    HE3  LYS  39           HE3      LYS  39  -0.414  -1.838  16.820
  148    HZ1  LYS  39           HZ3      LYS  39  -1.729   0.793  17.262
  149    HZ2  LYS  39           HZ1      LYS  39  -0.804  -0.074  18.387
  150    HZ3  LYS  39           HZ2      LYS  39  -2.303  -0.680  17.861
  151    H    HIS  40           HN       HIS  40  -1.339   3.703  12.254
  152    HA   HIS  40           HA       HIS  40   0.938   5.575  12.392
  153    HD1  HIS  40           HD1      HIS  40   1.569   1.734   9.844
  154    HD2  HIS  40           HD2      HIS  40   3.159   4.467  12.539
  155    HE1  HIS  40           HE1      HIS  40   3.618   0.631  10.776
  156    HE2  HIS  40           HE2      HIS  40   4.675   2.373  12.253
  157    HB2  HIS  40           HB2      HIS  40   0.119   3.729  10.120
  158    HB3  HIS  40           HB3      HIS  40   1.265   5.045   9.935
  159    H    ASN  41           HN       ASN  41  -1.840   6.138  12.907
  160    HA   ASN  41           HA       ASN  41  -2.901   7.400  10.471
  161    HB2  ASN  41           HB2      ASN  41  -5.010   7.212  11.417
  162    HB3  ASN  41           HB3      ASN  41  -4.200   5.809  12.099
  163   HD21  ASN  41          HD21      ASN  41  -3.709   5.768  14.284
  164   HD22  ASN  41          HD22      ASN  41  -4.340   6.924  15.414
  165    H    HIS  42           HN       HIS  42  -0.921   8.306  12.840
  166    HA   HIS  42           HA       HIS  42  -2.367  10.728  13.703
  167    HD1  HIS  42           HD1      HIS  42   1.072   9.253  13.455
  168    HD2  HIS  42           HD2      HIS  42  -0.164   7.718  17.119
  169    HE1  HIS  42           HE1      HIS  42   2.874   7.641  14.140
  170    HE2  HIS  42           HE2      HIS  42   2.203   6.878  16.468
  171    HB2  HIS  42           HB2      HIS  42  -0.966  10.584  15.755
  172    HB3  HIS  42           HB3      HIS  42  -2.004   9.182  15.520
  173    H    SER  43           HN       SER  43  -0.788  12.416  14.639
  174    HA   SER  43           HA       SER  43   0.295  13.969  12.827
  175    HG   SER  43           HG       SER  43   2.213  13.572  16.359
  176    HB2  SER  43           HB2      SER  43   1.985  14.718  14.588
  177    HB3  SER  43           HB3      SER  43   0.294  14.689  15.081
  178    H    LYS  44           HN       LYS  44   2.261  11.571  14.454
  179    HA   LYS  44           HA       LYS  44   4.737  12.067  13.392
  180    HB2  LYS  44           HB2      LYS  44   4.147  10.573  15.303
  181    HB3  LYS  44           HB3      LYS  44   3.641   9.368  14.137
  182    HG2  LYS  44           HG2      LYS  44   5.905   9.238  13.251
  183    HG3  LYS  44           HG3      LYS  44   6.431  10.472  14.399
  184    HD2  LYS  44           HD2      LYS  44   5.325   7.747  15.092
  185    HD3  LYS  44           HD3      LYS  44   7.014   8.243  15.203
  186    HE2  LYS  44           HE2      LYS  44   4.732   9.457  16.759
  187    HE3  LYS  44           HE3      LYS  44   5.883   8.279  17.387
  188    HZ1  LYS  44           HZ3      LYS  44   6.455  10.559  17.990
  189    HZ2  LYS  44           HZ1      LYS  44   6.593  10.973  16.357
  190    HZ3  LYS  44           HZ2      LYS  44   7.659   9.842  17.040
  191    H    SER  45           HN       SER  45   2.109  10.340  11.863
  192    HA   SER  45           HA       SER  45   3.561   9.874   9.450
  193    HG   SER  45           HG       SER  45   5.237   8.956  10.627
  194    HB2  SER  45           HB2      SER  45   3.033   7.536  11.288
  195    HB3  SER  45           HB3      SER  45   3.396   7.353   9.579
  196    H    THR  46           HN       THR  46   2.164   9.391   7.726
  197    HA   THR  46           HA       THR  46  -0.603   8.774   8.514
  198    HB   THR  46           HB       THR  46  -1.376  10.133   6.537
  199    HG1  THR  46           HG1      THR  46   0.158  10.696   5.249
  200   HG21  THR  46          HG23      THR  46  -1.120  12.307   7.643
  201   HG22  THR  46          HG21      THR  46   0.142  11.633   8.673
  202   HG23  THR  46          HG22      THR  46  -1.514  11.039   8.805
  203    H    TRP  47           HN       TRP  47  -1.134   6.828   7.787
  204    HA   TRP  47           HA       TRP  47  -0.375   6.082   5.038
  205    HD1  TRP  47           HD1      TRP  47   1.803   6.178   5.790
  206    HE1  TRP  47           HE1      TRP  47   4.115   5.078   6.127
  207    HE3  TRP  47           HE3      TRP  47   0.255   1.560   7.288
  208    HZ2  TRP  47           HZ2      TRP  47   5.122   2.532   6.908
  209    HZ3  TRP  47           HZ3      TRP  47   1.944  -0.161   7.780
  210    HH2  TRP  47           HH2      TRP  47   4.325   0.321   7.588
  211    HB2  TRP  47           HB2      TRP  47  -0.802   4.281   7.420
  212    HB3  TRP  47           HB3      TRP  47  -0.849   3.694   5.767
  213    H    LEU  48           HN       LEU  48  -2.010   5.376   3.684
  214    HA   LEU  48           HA       LEU  48  -4.654   5.106   4.919
  215    HG   LEU  48           HG       LEU  48  -4.232   5.522   1.278
  216    HB2  LEU  48           HB2      LEU  48  -5.777   6.252   3.180
  217    HB3  LEU  48           HB3      LEU  48  -4.472   7.296   3.705
  218   HD11  LEU  48          HD11      LEU  48  -5.089   8.402   1.346
  219   HD12  LEU  48          HD12      LEU  48  -4.837   7.405  -0.088
  220   HD13  LEU  48          HD13      LEU  48  -6.154   7.034   1.026
  221   HD21  LEU  48          HD23      LEU  48  -2.166   6.434   2.305
  222   HD22  LEU  48          HD21      LEU  48  -2.456   6.994   0.658
  223   HD23  LEU  48          HD22      LEU  48  -2.795   8.059   2.023
  224    H    ILE  49           HN       ILE  49  -6.228   4.135   3.228
  225    HA   ILE  49           HA       ILE  49  -4.884   2.078   1.611
  226    HB   ILE  49           HB       ILE  49  -7.311   1.625   3.368
  227   HG12  ILE  49          HG12      ILE  49  -4.499   0.542   3.661
  228   HG13  ILE  49          HG13      ILE  49  -5.182   1.835   4.638
  229   HG21  ILE  49          HG21      ILE  49  -5.743  -0.276   1.632
  230   HG22  ILE  49          HG22      ILE  49  -7.056  -0.732   2.719
  231   HG23  ILE  49          HG23      ILE  49  -7.380   0.305   1.330
  232   HD11  ILE  49          HD13      ILE  49  -6.127  -1.024   4.554
  233   HD12  ILE  49          HD11      ILE  49  -5.222  -0.246   5.852
  234   HD13  ILE  49          HD12      ILE  49  -6.870   0.269   5.496
  235    H    LEU  50           HN       LEU  50  -5.325   3.319  -0.277
  236    HA   LEU  50           HA       LEU  50  -7.836   4.443  -0.803
  237    HG   LEU  50           HG       LEU  50  -5.660   6.144  -1.308
  238    HB2  LEU  50           HB2      LEU  50  -5.390   3.973  -2.392
  239    HB3  LEU  50           HB3      LEU  50  -6.881   4.214  -3.284
  240   HD11  LEU  50          HD11      LEU  50  -4.565   6.005  -3.519
  241   HD12  LEU  50          HD12      LEU  50  -6.112   6.403  -4.269
  242   HD13  LEU  50          HD13      LEU  50  -5.325   7.564  -3.202
  243   HD21  LEU  50          HD23      LEU  50  -7.523   7.633  -1.961
  244   HD22  LEU  50          HD21      LEU  50  -8.230   6.314  -2.895
  245   HD23  LEU  50          HD22      LEU  50  -8.097   6.177  -1.143
  246    H    HIS  51           HN       HIS  51  -6.454   1.372  -1.654
  247    HA   HIS  51           HA       HIS  51  -9.050   0.258  -2.192
  248    HD1  HIS  51           HD1      HIS  51 -10.488  -0.926  -4.526
  249    HD2  HIS  51           HD2      HIS  51  -9.245   3.022  -4.965
  250    HE1  HIS  51           HE1      HIS  51 -12.484   0.322  -5.407
  251    HE2  HIS  51           HE2      HIS  51 -11.776   2.736  -5.369
  252    HB2  HIS  51           HB2      HIS  51  -7.326   1.132  -4.403
  253    HB3  HIS  51           HB3      HIS  51  -7.866  -0.540  -4.527
  254    H    HIS  52           HN       HIS  52  -7.908  -0.689  -0.295
  255    HA   HIS  52           HA       HIS  52  -7.151  -2.568   0.725
  256    HD1  HIS  52           HD1      HIS  52  -5.236  -5.822  -1.242
  257    HD2  HIS  52           HD2      HIS  52  -8.378  -4.970   1.358
  258    HE1  HIS  52           HE1      HIS  52  -5.171  -7.612   0.540
  259    HE2  HIS  52           HE2      HIS  52  -6.940  -6.915   2.213
  260    HB2  HIS  52           HB2      HIS  52  -8.199  -3.729  -1.312
  261    HB3  HIS  52           HB3      HIS  52  -6.555  -3.818  -1.948
  262    H    LYS  53           HN       LYS  53  -5.216  -1.258  -1.901
  263    HA   LYS  53           HA       LYS  53  -2.776  -2.147  -0.660
  264    HB2  LYS  53           HB2      LYS  53  -3.398  -0.453  -3.050
  265    HB3  LYS  53           HB3      LYS  53  -1.781  -0.443  -2.360
  266    HG2  LYS  53           HG2      LYS  53  -1.479  -2.739  -2.753
  267    HG3  LYS  53           HG3      LYS  53  -3.189  -2.980  -3.107
  268    HD2  LYS  53           HD2      LYS  53  -1.387  -1.243  -4.780
  269    HD3  LYS  53           HD3      LYS  53  -1.642  -2.962  -5.096
  270    HE2  LYS  53           HE2      LYS  53  -4.123  -2.427  -5.124
  271    HE3  LYS  53           HE3      LYS  53  -3.648  -0.731  -5.171
  272    HZ1  LYS  53           HZ3      LYS  53  -2.852  -2.782  -7.163
  273    HZ2  LYS  53           HZ1      LYS  53  -2.463  -1.134  -7.231
  274    HZ3  LYS  53           HZ2      LYS  53  -4.076  -1.638  -7.388
  275    H    VAL  54           HN       VAL  54  -1.592  -1.120   0.773
  276    HA   VAL  54           HA       VAL  54  -2.611   1.303   1.984
  277    HB   VAL  54           HB       VAL  54  -1.831  -0.397   3.474
  278   HG11  VAL  54          HG11      VAL  54   0.836  -0.250   2.096
  279   HG12  VAL  54          HG12      VAL  54   0.480  -1.180   3.551
  280   HG13  VAL  54          HG13      VAL  54  -0.311  -1.588   2.027
  281   HG21  VAL  54          HG23      VAL  54  -0.227   0.815   4.843
  282   HG22  VAL  54          HG21      VAL  54   0.207   1.833   3.469
  283   HG23  VAL  54          HG22      VAL  54  -1.411   1.931   4.163
  284    H    TYR  55           HN       TYR  55  -1.740   3.315   1.837
  285    HA   TYR  55           HA       TYR  55   0.628   3.596   0.101
  286    HD1  TYR  55           HD1      TYR  55  -2.898   3.229  -0.237
  287    HD2  TYR  55           HD2      TYR  55  -0.534   5.692  -2.778
  288    HE1  TYR  55           HE1      TYR  55  -4.079   2.333  -2.200
  289    HE2  TYR  55           HE2      TYR  55  -1.703   4.809  -4.743
  290    HH   TYR  55           HH       TYR  55  -2.986   2.854  -5.394
  291    HB2  TYR  55           HB2      TYR  55  -1.632   5.587   0.439
  292    HB3  TYR  55           HB3      TYR  55  -0.203   5.830  -0.545
  293    H    ASP  56           HN       ASP  56   1.349   6.154   0.522
  294    HA   ASP  56           HA       ASP  56   1.206   6.866   3.322
  295    HB2  ASP  56           HB2      ASP  56   3.129   5.872   3.914
  296    HB3  ASP  56           HB3      ASP  56   3.435   5.373   2.259
  297    H    LEU  57           HN       LEU  57   0.804   9.087   3.241
  298    HA   LEU  57           HA       LEU  57   2.129  10.619   1.108
  299    HG   LEU  57           HG       LEU  57  -1.512  11.917   1.705
  300    HB2  LEU  57           HB2      LEU  57   0.201  11.565   3.240
  301    HB3  LEU  57           HB3      LEU  57   0.962  12.608   2.080
  302   HD11  LEU  57          HD11      LEU  57  -1.221  12.036  -0.683
  303   HD12  LEU  57          HD12      LEU  57  -0.093  13.131   0.113
  304   HD13  LEU  57          HD13      LEU  57   0.483  11.598  -0.539
  305   HD21  LEU  57          HD23      LEU  57  -1.161   9.485   1.991
  306   HD22  LEU  57          HD21      LEU  57  -1.838   9.882   0.411
  307   HD23  LEU  57          HD22      LEU  57  -0.128   9.479   0.563
  308    H    THR  58           HN       THR  58   1.653  10.897   4.586
  309    HA   THR  58           HA       THR  58   2.815  11.749   6.297
  310    HB   THR  58           HB       THR  58   5.307  10.796   4.918
  311    HG1  THR  58           HG1      THR  58   4.131   8.950   4.903
  312   HG21  THR  58          HG23      THR  58   4.549  10.943   7.840
  313   HG22  THR  58          HG21      THR  58   5.594  12.089   7.001
  314   HG23  THR  58          HG22      THR  58   6.097  10.408   7.184
  315    H    LYS  59           HN       LYS  59   5.207  12.260   3.783
  316    HA   LYS  59           HA       LYS  59   5.814  14.891   4.802
  317    HB2  LYS  59           HB2      LYS  59   7.372  13.058   3.683
  318    HB3  LYS  59           HB3      LYS  59   6.836  13.836   2.195
  319    HG2  LYS  59           HG2      LYS  59   7.607  15.987   3.076
  320    HG3  LYS  59           HG3      LYS  59   8.205  15.149   4.509
  321    HD2  LYS  59           HD2      LYS  59   9.664  13.783   3.045
  322    HD3  LYS  59           HD3      LYS  59   9.128  14.745   1.666
  323    HE2  LYS  59           HE2      LYS  59  11.276  15.533   2.521
  324    HE3  LYS  59           HE3      LYS  59  10.017  16.752   2.702
  325    HZ1  LYS  59           HZ3      LYS  59  10.966  14.940   4.863
  326    HZ2  LYS  59           HZ1      LYS  59   9.791  16.154   5.026
  327    HZ3  LYS  59           HZ2      LYS  59  11.399  16.571   4.691
  328    H    PHE  60           HN       PHE  60   3.971  13.377   2.322
  329    HA   PHE  60           HA       PHE  60   4.094  15.433   0.392
  330    HD1  PHE  60           HD1      PHE  60   4.877  14.276  -1.697
  331    HD2  PHE  60           HD2      PHE  60   0.646  13.946  -1.431
  332    HE1  PHE  60           HE1      PHE  60   4.688  14.873  -4.073
  333    HE2  PHE  60           HE2      PHE  60   0.451  14.540  -3.818
  334    HZ   PHE  60           HZ       PHE  60   2.484  14.992  -5.137
  335    HB2  PHE  60           HB2      PHE  60   3.582  12.888   0.150
  336    HB3  PHE  60           HB3      PHE  60   1.923  13.405   0.406
  337    H    LEU  61           HN       LEU  61   2.382  15.156   3.201
  338    HA   LEU  61           HA       LEU  61  -0.138  16.239   2.713
  339    HG   LEU  61           HG       LEU  61   1.407  14.294   4.905
  340    HB2  LEU  61           HB2      LEU  61   1.601  16.688   5.147
  341    HB3  LEU  61           HB3      LEU  61  -0.139  16.890   5.074
  342   HD11  LEU  61          HD11      LEU  61   1.077  15.262   7.134
  343   HD12  LEU  61          HD12      LEU  61  -0.667  15.259   6.862
  344   HD13  LEU  61          HD13      LEU  61   0.221  13.737   6.914
  345   HD21  LEU  61          HD23      LEU  61  -0.443  14.295   3.294
  346   HD22  LEU  61          HD21      LEU  61  -0.747  13.187   4.633
  347   HD23  LEU  61          HD22      LEU  61  -1.560  14.753   4.578
  348    H    GLU  62           HN       GLU  62   2.968  17.653   2.687
  349    HA   GLU  62           HA       GLU  62   2.255  20.370   3.210
  350    HB2  GLU  62           HB2      GLU  62   4.727  19.080   2.046
  351    HB3  GLU  62           HB3      GLU  62   4.597  20.790   2.428
  352    HG2  GLU  62           HG2      GLU  62   4.084  18.722   4.517
  353    HG3  GLU  62           HG3      GLU  62   5.731  19.208   4.113
  354    H    GLU  63           HN       GLU  63   2.281  18.368   0.379
  355    HA   GLU  63           HA       GLU  63   2.479  20.749  -1.357
  356    HB2  GLU  63           HB2      GLU  63   3.510  17.951  -1.838
  357    HB3  GLU  63           HB3      GLU  63   3.576  19.258  -3.013
  358    HG2  GLU  63           HG2      GLU  63   4.961  20.556  -1.477
  359    HG3  GLU  63           HG3      GLU  63   4.922  19.219  -0.326
  360    H    HIS  64           HN       HIS  64   0.717  17.918  -0.558
  361    HA   HIS  64           HA       HIS  64  -0.662  17.639  -2.987
  362    HD1  HIS  64           HD1      HIS  64  -3.848  16.697  -0.196
  363    HD2  HIS  64           HD2      HIS  64  -2.231  14.687  -3.505
  364    HE1  HIS  64           HE1      HIS  64  -5.770  15.436  -1.288
  365    HB2  HIS  64           HB3      HIS  64  -0.489  15.780  -1.481
  366    HB3  HIS  64           HB2      HIS  64  -1.281  16.653  -0.202
  367    HA   PRO  65           HA       PRO  65  -3.004  21.317  -2.835
  368    HB2  PRO  65           HB2      PRO  65  -5.101  19.866  -4.332
  369    HB3  PRO  65           HB3      PRO  65  -4.203  21.318  -4.780
  370    HG2  PRO  65           HG2      PRO  65  -3.710  18.961  -5.932
  371    HG3  PRO  65           HG3      PRO  65  -2.402  20.107  -5.583
  372    HD2  PRO  65           HD2      PRO  65  -3.182  17.614  -4.153
  373    HD3  PRO  65           HD3      PRO  65  -1.567  18.285  -4.453
  374    H    GLY  66           HN       GLY  66  -4.502  18.360  -1.795
  375    HA2  GLY  66           HA1      GLY  66  -7.133  19.253  -1.443
  376    HA3  GLY  66           HA2      GLY  66  -6.432  17.832  -0.691
  377    H    GLY  67           HN       GLY  67  -4.381  19.638   0.642
  378    HA2  GLY  67           HA1      GLY  67  -4.701  21.540   2.230
  379    HA3  GLY  67           HA2      GLY  67  -6.181  20.727   2.721
  380    H    GLU  68           HN       GLU  68  -4.832  21.133   4.830
  381    HA   GLU  68           HA       GLU  68  -2.955  18.910   5.246
  382    HB2  GLU  68           HB2      GLU  68  -2.177  21.158   5.950
  383    HB3  GLU  68           HB3      GLU  68  -3.553  21.291   7.033
  384    HG2  GLU  68           HG2      GLU  68  -2.593  19.097   8.069
  385    HG3  GLU  68           HG3      GLU  68  -1.095  19.611   7.293
  386    H    GLU  69           HN       GLU  69  -5.096  20.512   7.502
  387    HA   GLU  69           HA       GLU  69  -5.421  18.106   8.969
  388    HB2  GLU  69           HB2      GLU  69  -5.324  20.520   9.821
  389    HB3  GLU  69           HB3      GLU  69  -7.018  20.622   9.357
  390    HG2  GLU  69           HG2      GLU  69  -7.568  18.814  10.862
  391    HG3  GLU  69           HG3      GLU  69  -5.866  18.606  11.265
  392    H    VAL  70           HN       VAL  70  -7.330  19.875   6.666
  393    HA   VAL  70           HA       VAL  70  -9.790  18.579   7.257
  394    HB   VAL  70           HB       VAL  70 -10.630  19.621   5.184
  395   HG11  VAL  70          HG11      VAL  70  -8.963  21.474   6.869
  396   HG12  VAL  70          HG12      VAL  70 -10.339  21.936   5.866
  397   HG13  VAL  70          HG13      VAL  70 -10.578  20.886   7.265
  398   HG21  VAL  70          HG23      VAL  70  -7.761  20.487   4.827
  399   HG22  VAL  70          HG21      VAL  70  -8.679  19.410   3.775
  400   HG23  VAL  70          HG22      VAL  70  -9.124  21.113   3.897
  401    H    LEU  71           HN       LEU  71  -7.051  17.748   5.397
  402    HA   LEU  71           HA       LEU  71  -8.409  15.408   4.294
  403    HG   LEU  71           HG       LEU  71  -6.605  17.679   2.721
  404    HB2  LEU  71           HB2      LEU  71  -5.497  16.241   4.256
  405    HB3  LEU  71           HB3      LEU  71  -6.111  14.796   3.473
  406   HD11  LEU  71          HD11      LEU  71  -4.494  16.715   1.999
  407   HD12  LEU  71          HD12      LEU  71  -5.340  15.340   1.291
  408   HD13  LEU  71          HD13      LEU  71  -5.565  16.954   0.618
  409   HD21  LEU  71          HD23      LEU  71  -7.885  15.199   1.557
  410   HD22  LEU  71          HD21      LEU  71  -8.709  16.444   2.497
  411   HD23  LEU  71          HD22      LEU  71  -8.026  16.836   0.919
  412    H    ARG  72           HN       ARG  72  -5.596  16.147   6.277
  413    HA   ARG  72           HA       ARG  72  -4.307  14.868   7.591
  414    HE   ARG  72           HE       ARG  72  -6.072  12.222  11.296
  415    HB2  ARG  72           HB2      ARG  72  -6.582  15.264   8.918
  416    HB3  ARG  72           HB3      ARG  72  -6.664  13.512   8.795
  417    HG2  ARG  72           HG2      ARG  72  -4.502  13.305   9.864
  418    HG3  ARG  72           HG3      ARG  72  -4.324  15.059   9.887
  419    HD2  ARG  72           HD2      ARG  72  -4.983  14.442  12.059
  420    HD3  ARG  72           HD3      ARG  72  -6.413  15.133  11.298
  421   HH11  ARG  72          HH12      ARG  72  -7.672  15.051  12.569
  422   HH12  ARG  72          HH11      ARG  72  -9.068  14.181  13.118
  423   HH21  ARG  72          HH22      ARG  72  -7.892  11.048  12.060
  424   HH22  ARG  72          HH21      ARG  72  -9.214  11.902  12.796
  425    H    GLU  73           HN       GLU  73  -5.248  14.005   5.024
  426    HA   GLU  73           HA       GLU  73  -4.949  12.367   3.540
  427    HB2  GLU  73           HB2      GLU  73  -2.834  12.088   4.828
  428    HB3  GLU  73           HB3      GLU  73  -3.629  10.822   5.753
  429    HG2  GLU  73           HG2      GLU  73  -4.059   9.640   3.593
  430    HG3  GLU  73           HG3      GLU  73  -3.013  10.835   2.816
  431    H    GLN  74           HN       GLN  74  -7.093  12.075   6.024
  432    HA   GLN  74           HA       GLN  74  -8.745  10.582   6.640
  433    HB2  GLN  74           HB2      GLN  74  -8.125   9.901   3.831
  434    HB3  GLN  74           HB3      GLN  74  -8.923   8.634   4.748
  435    HG2  GLN  74           HG2      GLN  74 -10.069  10.760   3.383
  436    HG3  GLN  74           HG3      GLN  74 -10.878   9.604   4.443
  437   HE21  GLN  74          HE21      GLN  74  -9.711  12.825   4.077
  438   HE22  GLN  74          HE22      GLN  74 -10.344  13.460   5.552
  439    H    ALA  75           HN       ALA  75  -5.946  10.305   7.191
  440    HA   ALA  75           HA       ALA  75  -4.817   7.832   6.580
  441    HB1  ALA  75           HB3      ALA  75  -4.046   9.602   8.884
  442    HB2  ALA  75           HB1      ALA  75  -3.008   8.511   7.965
  443    HB3  ALA  75           HB2      ALA  75  -3.651   9.969   7.205
  444    H    GLY  76           HN       GLY  76  -4.662   5.948   7.547
  445    HA2  GLY  76           HA1      GLY  76  -4.628   4.793   9.784
  446    HA3  GLY  76           HA2      GLY  76  -6.217   5.503  10.027
  447    H    GLY  77           HN       GLY  77  -7.227   5.144   7.387
  448    HA2  GLY  77           HA1      GLY  77  -6.960   2.296   6.793
  449    HA3  GLY  77           HA2      GLY  77  -8.543   2.818   7.367
  450    H    ASP  78           HN       ASP  78  -9.786   2.649   5.547
  451    HA   ASP  78           HA       ASP  78  -8.614   3.242   3.006
  452    HB2  ASP  78           HB2      ASP  78 -10.629   2.510   2.001
  453    HB3  ASP  78           HB3      ASP  78 -10.361   1.447   3.378
  454    H    ALA  79           HN       ALA  79  -9.343   4.828   1.513
  455    HA   ALA  79           HA       ALA  79 -10.807   7.044   2.755
  456    HB1  ALA  79           HB3      ALA  79  -8.458   7.364   0.896
  457    HB2  ALA  79           HB1      ALA  79  -9.378   8.650   1.679
  458    HB3  ALA  79           HB2      ALA  79  -8.401   7.551   2.650
  459    H    THR  80           HN       THR  80 -11.052   4.725   0.591
  460    HA   THR  80           HA       THR  80 -11.289   5.949  -1.937
  461    HB   THR  80           HB       THR  80 -10.818   3.595  -1.722
  462    HG1  THR  80           HG1      THR  80 -13.292   4.143  -3.059
  463   HG21  THR  80          HG23      THR  80 -13.634   3.327  -0.650
  464   HG22  THR  80          HG21      THR  80 -12.140   3.042   0.246
  465   HG23  THR  80          HG22      THR  80 -12.583   1.982  -1.092
  466    H    GLU  81           HN       GLU  81 -13.510   5.962   0.663
  467    HA   GLU  81           HA       GLU  81 -16.001   5.944  -0.533
  468    HB2  GLU  81           HB2      GLU  81 -15.758   6.165   1.857
  469    HB3  GLU  81           HB3      GLU  81 -14.955   7.720   1.676
  470    HG2  GLU  81           HG2      GLU  81 -16.990   8.720   0.842
  471    HG3  GLU  81           HG3      GLU  81 -17.809   7.160   0.888
  472    H    ASN  82           HN       ASN  82 -13.914   8.748  -0.035
  473    HA   ASN  82           HA       ASN  82 -15.512  10.647  -1.351
  474    HB2  ASN  82           HB2      ASN  82 -13.735  11.214   0.260
  475    HB3  ASN  82           HB3      ASN  82 -12.513  10.641  -0.870
  476   HD21  ASN  82          HD21      ASN  82 -12.043  11.850  -2.688
  477   HD22  ASN  82          HD22      ASN  82 -12.547  13.492  -2.864
  478    H    PHE  83           HN       PHE  83 -13.140   8.394  -2.419
  479    HA   PHE  83           HA       PHE  83 -12.268   9.675  -4.781
  480    HD1  PHE  83           HD1      PHE  83  -9.826   9.235  -5.559
  481    HD2  PHE  83           HD2      PHE  83 -11.749   5.442  -5.815
  482    HE1  PHE  83           HE1      PHE  83  -8.554   8.723  -7.595
  483    HE2  PHE  83           HE2      PHE  83 -10.478   4.930  -7.863
  484    HZ   PHE  83           HZ       PHE  83  -8.872   6.578  -8.749
  485    HB2  PHE  83           HB2      PHE  83 -10.931   8.016  -3.536
  486    HB3  PHE  83           HB3      PHE  83 -12.103   6.771  -3.945
  487    H    GLU  84           HN       GLU  84 -14.851   7.526  -4.015
  488    HA   GLU  84           HA       GLU  84 -15.382   6.685  -6.703
  489    HB2  GLU  84           HB2      GLU  84 -17.024   6.488  -4.168
  490    HB3  GLU  84           HB3      GLU  84 -17.419   5.685  -5.676
  491    HG2  GLU  84           HG2      GLU  84 -15.281   4.444  -5.516
  492    HG3  GLU  84           HG3      GLU  84 -15.015   5.184  -3.938
  493    H    ASP  85           HN       ASP  85 -16.254   9.301  -4.674
  494    HA   ASP  85           HA       ASP  85 -18.758   9.874  -6.054
  495    HB2  ASP  85           HB2      ASP  85 -18.698   9.874  -3.578
  496    HB3  ASP  85           HB3      ASP  85 -17.551  11.207  -3.617
  497    H    VAL  86           HN       VAL  86 -15.799  11.628  -5.105
  498    HA   VAL  86           HA       VAL  86 -15.811  13.095  -7.596
  499    HB   VAL  86           HB       VAL  86 -15.569  15.310  -6.205
  500   HG11  VAL  86          HG11      VAL  86 -18.244  14.036  -6.792
  501   HG12  VAL  86          HG12      VAL  86 -17.998  15.752  -6.463
  502   HG13  VAL  86          HG13      VAL  86 -17.276  15.015  -7.894
  503   HG21  VAL  86          HG23      VAL  86 -15.725  14.238  -4.003
  504   HG22  VAL  86          HG21      VAL  86 -17.016  15.414  -4.250
  505   HG23  VAL  86          HG22      VAL  86 -17.357  13.691  -4.392
  506    H    GLY  87           HN       GLY  87 -13.684  13.149  -8.214
  507    HA2  GLY  87           HA1      GLY  87 -11.746  14.625  -7.215
  508    HA3  GLY  87           HA2      GLY  87 -11.652  13.273  -6.108
  509    H    HIS  88           HN       HIS  88  -9.830  14.463  -8.117
  510    HA   HIS  88           HA       HIS  88  -7.936  13.657  -9.026
  511    HD1  HIS  88           HD1      HIS  88  -7.945   9.695  -6.542
  512    HD2  HIS  88           HD2      HIS  88  -6.879  13.687  -7.119
  513    HE1  HIS  88           HE1      HIS  88  -6.685  10.424  -4.448
  514    HB2  HIS  88           HB2      HIS  88  -9.196  10.967  -8.556
  515    HB3  HIS  88           HB3      HIS  88  -7.632  11.158  -9.341
  516    H    SER  89           HN       SER  89  -7.536  14.183 -11.025
  517    HA   SER  89           HA       SER  89  -9.115  13.004 -13.186
  518    HG   SER  89           HG       SER  89  -6.278  15.753 -13.645
  519    HB2  SER  89           HB2      SER  89  -7.774  14.648 -14.604
  520    HB3  SER  89           HB3      SER  89  -8.901  15.358 -13.448
  521    H    THR  90           HN       THR  90  -7.364  12.796 -15.262
  522    HA   THR  90           HA       THR  90  -6.173  10.316 -14.767
  523    HB   THR  90           HB       THR  90  -4.807  11.220 -16.965
  524    HG1  THR  90           HG1      THR  90  -5.714  13.194 -17.203
  525   HG21  THR  90          HG23      THR  90  -6.502  10.073 -18.258
  526   HG22  THR  90          HG21      THR  90  -7.647  10.201 -16.923
  527   HG23  THR  90          HG22      THR  90  -6.209   9.193 -16.757
  528    H    ASP  91           HN       ASP  91  -4.846  13.526 -14.353
  529    HA   ASP  91           HA       ASP  91  -2.110  13.016 -14.435
  530    HB2  ASP  91           HB2      ASP  91  -3.493  14.869 -12.487
  531    HB3  ASP  91           HB3      ASP  91  -1.838  14.994 -13.080
  532    H    ALA  92           HN       ALA  92  -4.376  12.811 -11.752
  533    HA   ALA  92           HA       ALA  92  -2.403  12.341  -9.765
  534    HB1  ALA  92           HB3      ALA  92  -4.512  13.519  -9.343
  535    HB2  ALA  92           HB1      ALA  92  -5.386  12.006  -9.596
  536    HB3  ALA  92           HB2      ALA  92  -4.263  12.162  -8.245
  537    H    ARG  93           HN       ARG  93  -4.400  10.240 -11.707
  538    HA   ARG  93           HA       ARG  93  -4.352   7.929 -10.068
  539    HE   ARG  93           HE       ARG  93  -3.871   8.162 -16.040
  540    HB2  ARG  93           HB2      ARG  93  -5.145   6.748 -11.980
  541    HB3  ARG  93           HB3      ARG  93  -5.845   8.360 -12.072
  542    HG2  ARG  93           HG2      ARG  93  -4.206   9.028 -13.712
  543    HG3  ARG  93           HG3      ARG  93  -3.380   7.482 -13.559
  544    HD2  ARG  93           HD2      ARG  93  -5.397   6.351 -14.415
  545    HD3  ARG  93           HD3      ARG  93  -6.173   7.919 -14.612
  546   HH11  ARG  93          HH12      ARG  93  -6.472   5.781 -16.076
  547   HH12  ARG  93          HH11      ARG  93  -6.301   5.441 -17.774
  548   HH21  ARG  93          HH22      ARG  93  -3.630   7.709 -18.231
  549   HH22  ARG  93          HH21      ARG  93  -4.681   6.559 -19.018
  550    H    GLU  94           HN       GLU  94  -1.920   9.485 -11.793
  551    HA   GLU  94           HA       GLU  94  -0.424   7.005 -12.341
  552    HB2  GLU  94           HB2      GLU  94  -1.342   8.453 -14.268
  553    HB3  GLU  94           HB3      GLU  94  -0.110   9.621 -13.810
  554    HG2  GLU  94           HG2      GLU  94   1.629   8.082 -14.294
  555    HG3  GLU  94           HG3      GLU  94   0.476   6.766 -14.515
  556    H    MET  95           HN       MET  95  -0.603   9.835 -10.643
  557    HA   MET  95           HA       MET  95   2.247  10.259 -10.262
  558    HB2  MET  95           HB2      MET  95   0.591  12.141 -10.565
  559    HB3  MET  95           HB3      MET  95  -0.135  11.671  -9.037
  560    HG2  MET  95           HG2      MET  95   1.289  13.563  -8.690
  561    HG3  MET  95           HG3      MET  95   1.999  12.160  -7.897
  562    HE1  MET  95           HE3      MET  95   4.299  13.510  -7.687
  563    HE2  MET  95           HE1      MET  95   5.129  14.244  -9.059
  564    HE3  MET  95           HE2      MET  95   3.584  14.894  -8.513
  565    H    SER  96           HN       SER  96  -0.470   8.726  -8.832
  566    HA   SER  96           HA       SER  96   0.545   8.794  -6.153
  567    HG   SER  96           HG       SER  96  -1.244   9.864  -5.858
  568    HB2  SER  96           HB2      SER  96  -1.937   7.683  -7.388
  569    HB3  SER  96           HB3      SER  96  -1.512   7.325  -5.706
  570    H    LYS  97           HN       LYS  97   1.367   7.000  -8.682
  571    HA   LYS  97           HA       LYS  97   0.979   4.311  -7.981
  572    HB2  LYS  97           HB2      LYS  97   2.964   5.577  -9.881
  573    HB3  LYS  97           HB3      LYS  97   2.681   3.847  -9.756
  574    HG2  LYS  97           HG2      LYS  97   0.328   4.215 -10.399
  575    HG3  LYS  97           HG3      LYS  97   0.680   5.934 -10.585
  576    HD2  LYS  97           HD2      LYS  97   0.850   5.086 -12.753
  577    HD3  LYS  97           HD3      LYS  97   2.515   5.211 -12.199
  578    HE2  LYS  97           HE2      LYS  97   0.881   2.678 -12.172
  579    HE3  LYS  97           HE3      LYS  97   2.009   3.132 -13.444
  580    HZ1  LYS  97           HZ3      LYS  97   3.166   1.664 -12.028
  581    HZ2  LYS  97           HZ1      LYS  97   2.641   2.452 -10.624
  582    HZ3  LYS  97           HZ2      LYS  97   3.761   3.205 -11.647
  583    H    THR  98           HN       THR  98   3.779   6.438  -7.485
  584    HA   THR  98           HA       THR  98   5.297   4.262  -6.333
  585    HB   THR  98           HB       THR  98   6.941   6.260  -5.897
  586    HG1  THR  98           HG1      THR  98   6.473   7.847  -7.670
  587   HG21  THR  98          HG23      THR  98   7.988   5.761  -7.894
  588   HG22  THR  98          HG21      THR  98   6.472   5.713  -8.795
  589   HG23  THR  98          HG22      THR  98   6.905   4.379  -7.729
  590    H    PHE  99           HN       PHE  99   2.863   5.926  -5.148
  591    HA   PHE  99           HA       PHE  99   3.962   6.278  -2.463
  592    HD1  PHE  99           HD2      PHE  99   3.279   8.733  -1.133
  593    HD2  PHE  99           HD1      PHE  99   2.209   8.597  -5.251
  594    HE1  PHE  99           HE2      PHE  99   4.282  10.948  -1.465
  595    HE2  PHE  99           HE1      PHE  99   3.206  10.825  -5.581
  596    HZ   PHE  99           HZ       PHE  99   4.238  12.001  -3.686
  597    HB2  PHE  99           HB2      PHE  99   1.308   7.008  -3.713
  598    HB3  PHE  99           HB3      PHE  99   1.613   7.140  -1.982
  599    H    ILE 100           HN       ILE 100   2.524   3.967  -4.390
  600    HA   ILE 100           HA       ILE 100   0.911   2.636  -2.441
  601    HB   ILE 100           HB       ILE 100   2.074   1.576  -5.034
  602   HG12  ILE 100          HG12      ILE 100  -0.650   2.730  -4.424
  603   HG13  ILE 100          HG13      ILE 100   0.610   3.504  -5.370
  604   HG21  ILE 100          HG21      ILE 100   1.486  -0.234  -3.557
  605   HG22  ILE 100          HG22      ILE 100  -0.108   0.465  -3.275
  606   HG23  ILE 100          HG23      ILE 100   0.324  -0.136  -4.878
  607   HD11  ILE 100          HD13      ILE 100  -0.788   0.948  -6.086
  608   HD12  ILE 100          HD11      ILE 100  -1.119   2.535  -6.781
  609   HD13  ILE 100          HD12      ILE 100   0.443   1.759  -7.052
  610    H    ILE 101           HN       ILE 101   1.942   1.714  -0.654
  611    HA   ILE 101           HA       ILE 101   4.718   0.868  -1.042
  612    HB   ILE 101           HB       ILE 101   4.930   0.783   1.375
  613   HG12  ILE 101          HG12      ILE 101   2.033   1.650   1.438
  614   HG13  ILE 101          HG13      ILE 101   2.635   0.062   1.896
  615   HG21  ILE 101          HG21      ILE 101   4.659   3.173   1.850
  616   HG22  ILE 101          HG22      ILE 101   5.368   2.892   0.259
  617   HG23  ILE 101          HG23      ILE 101   3.669   3.341   0.399
  618   HD11  ILE 101          HD13      ILE 101   3.929   1.111   3.709
  619   HD12  ILE 101          HD11      ILE 101   3.234   2.669   3.266
  620   HD13  ILE 101          HD12      ILE 101   2.191   1.378   3.859
  621    H    GLY 102           HN       GLY 102   1.577  -0.536  -0.444
  622    HA2  GLY 102           HA1      GLY 102   2.329  -3.058  -1.290
  623    HA3  GLY 102           HA2      GLY 102   2.549  -3.061   0.454
  624    H    GLU 103           HN       GLU 103   0.885  -4.775   0.347
  625    HA   GLU 103           HA       GLU 103  -1.830  -3.613   0.268
  626    HB2  GLU 103           HB2      GLU 103  -0.890  -6.412  -0.322
  627    HB3  GLU 103           HB3      GLU 103  -2.565  -6.069   0.076
  628    HG2  GLU 103           HG2      GLU 103  -2.077  -4.261  -1.892
  629    HG3  GLU 103           HG3      GLU 103  -1.082  -5.632  -2.394
  630    H    LEU 104           HN       LEU 104  -3.244  -5.480   1.625
  631    HA   LEU 104           HA       LEU 104  -2.156  -5.339   4.334
  632    HG   LEU 104           HG       LEU 104  -5.595  -4.205   4.965
  633    HB2  LEU 104           HB2      LEU 104  -4.880  -5.746   3.200
  634    HB3  LEU 104           HB3      LEU 104  -4.534  -6.370   4.785
  635   HD11  LEU 104          HD11      LEU 104  -3.964  -4.842   6.654
  636   HD12  LEU 104          HD12      LEU 104  -2.685  -4.075   5.712
  637   HD13  LEU 104          HD13      LEU 104  -3.983  -3.097   6.399
  638   HD21  LEU 104          HD23      LEU 104  -3.256  -3.195   3.359
  639   HD22  LEU 104          HD21      LEU 104  -4.948  -3.223   2.862
  640   HD23  LEU 104          HD22      LEU 104  -4.433  -2.172   4.182
  641    H    HIS 105           HN       HIS 105  -1.995  -7.100   5.674
  642    HA   HIS 105           HA       HIS 105  -0.928  -9.446   4.978
  643    HD1  HIS 105           HD1      HIS 105  -4.159 -10.661   8.083
  644    HD2  HIS 105           HD2      HIS 105  -3.152  -6.713   7.259
  645    HE1  HIS 105           HE1      HIS 105  -6.103  -9.273   8.923
  646    HE2  HIS 105           HE2      HIS 105  -5.567  -6.916   8.193
  647    HB2  HIS 105           HB2      HIS 105  -1.915 -10.434   7.055
  648    HB3  HIS 105           HB3      HIS 105  -1.150  -8.868   7.285
  649    HA   PRO 106           HA       PRO 106  -3.234 -12.288   2.634
  650    HB2  PRO 106           HB2      PRO 106  -2.927 -14.162   4.948
  651    HB3  PRO 106           HB3      PRO 106  -2.606 -14.442   3.231
  652    HG2  PRO 106           HG2      PRO 106  -0.599 -13.996   4.890
  653    HG3  PRO 106           HG3      PRO 106  -0.608 -13.250   3.281
  654    HD2  PRO 106           HD2      PRO 106  -1.140 -12.011   5.945
  655    HD3  PRO 106           HD3      PRO 106  -0.374 -11.314   4.504
  656    H    ASP 107           HN       ASP 107  -4.274 -11.748   5.911
  657    HA   ASP 107           HA       ASP 107  -6.582 -13.497   5.742
  658    HB2  ASP 107           HB2      ASP 107  -6.162 -11.571   7.997
  659    HB3  ASP 107           HB3      ASP 107  -6.750 -13.230   8.042
  660    H    ASP 108           HN       ASP 108  -5.698 -10.270   5.209
  661    HA   ASP 108           HA       ASP 108  -8.341  -9.116   5.649
  662    HB2  ASP 108           HB2      ASP 108  -6.410  -7.888   6.456
  663    HB3  ASP 108           HB3      ASP 108  -5.700  -7.884   4.843
  664    H    ARG 109           HN       ARG 109  -6.435 -10.456   3.278
  665    HA   ARG 109           HA       ARG 109  -6.841  -8.724   1.073
  666    HE   ARG 109           HE       ARG 109  -3.331  -9.936  -2.436
  667    HB2  ARG 109           HB2      ARG 109  -4.862 -10.292   1.553
  668    HB3  ARG 109           HB3      ARG 109  -5.866 -11.555   0.850
  669    HG2  ARG 109           HG2      ARG 109  -6.108  -9.784  -1.095
  670    HG3  ARG 109           HG3      ARG 109  -4.565  -9.227  -0.443
  671    HD2  ARG 109           HD2      ARG 109  -3.773 -11.614  -0.584
  672    HD3  ARG 109           HD3      ARG 109  -5.243 -11.968  -1.488
  673   HH11  ARG 109          HH12      ARG 109  -5.198 -12.854  -2.919
  674   HH12  ARG 109          HH11      ARG 109  -4.712 -13.058  -4.579
  675   HH21  ARG 109          HH22      ARG 109  -2.646 -10.235  -4.618
  676   HH22  ARG 109          HH21      ARG 109  -3.270 -11.573  -5.526
  677    HA   PRO 110           HA       PRO 110 -10.126 -11.653  -0.528
  678    HB2  PRO 110           HB2      PRO 110 -10.118 -14.288   0.563
  679    HB3  PRO 110           HB3      PRO 110  -9.593 -13.797  -1.050
  680    HG2  PRO 110           HG2      PRO 110  -7.921 -14.802   0.905
  681    HG3  PRO 110           HG3      PRO 110  -7.389 -13.800  -0.458
  682    HD2  PRO 110           HD2      PRO 110  -7.991 -12.985   2.372
  683    HD3  PRO 110           HD3      PRO 110  -6.640 -12.490   1.322
  684    H    LYS 111           HN       LYS 111  -9.448 -11.537   2.750
  685    HA   LYS 111           HA       LYS 111 -10.674 -11.100   4.579
  686    HB2  LYS 111           HB2      LYS 111 -13.009 -11.027   2.669
  687    HB3  LYS 111           HB3      LYS 111 -13.081 -10.534   4.357
  688    HG2  LYS 111           HG2      LYS 111 -11.309  -8.839   3.841
  689    HG3  LYS 111           HG3      LYS 111 -11.494  -9.260   2.138
  690    HD2  LYS 111           HD2      LYS 111 -13.849  -8.598   2.223
  691    HD3  LYS 111           HD3      LYS 111 -13.680  -8.196   3.935
  692    HE2  LYS 111           HE2      LYS 111 -11.990  -6.513   3.364
  693    HE3  LYS 111           HE3      LYS 111 -12.182  -6.905   1.657
  694    HZ1  LYS 111           HZ3      LYS 111 -14.396  -5.913   3.374
  695    HZ2  LYS 111           HZ1      LYS 111 -14.399  -6.090   1.689
  696    HZ3  LYS 111           HZ2      LYS 111 -13.428  -4.906   2.408
  697    H    LEU 112           HN       LEU 112 -12.697 -13.262   2.605
  698    HA   LEU 112           HA       LEU 112 -13.878 -14.426   4.925
  699    HG   LEU 112           HG       LEU 112 -14.923 -17.020   3.449
  700    HB2  LEU 112           HB2      LEU 112 -15.119 -14.066   2.850
  701    HB3  LEU 112           HB3      LEU 112 -14.080 -15.208   2.021
  702   HD11  LEU 112          HD11      LEU 112 -15.433 -15.751   5.447
  703   HD12  LEU 112          HD12      LEU 112 -16.708 -14.876   4.598
  704   HD13  LEU 112          HD13      LEU 112 -16.871 -16.608   4.895
  705   HD21  LEU 112          HD23      LEU 112 -17.140 -15.436   2.155
  706   HD22  LEU 112          HD21      LEU 112 -16.031 -16.518   1.309
  707   HD23  LEU 112          HD22      LEU 112 -17.150 -17.162   2.511
  708    H    ASN 113           HN       ASN 113 -11.443 -15.522   2.614
  709    HA   ASN 113           HA       ASN 113 -10.827 -17.752   4.381
  710    HB2  ASN 113           HB2      ASN 113 -12.379 -18.701   2.704
  711    HB3  ASN 113           HB3      ASN 113 -11.321 -18.148   1.414
  712   HD21  ASN 113          HD21      ASN 113 -11.142 -20.258   0.673
  713   HD22  ASN 113          HD22      ASN 113 -10.148 -21.432   1.469
  714    H    LYS 114           HN       LYS 114  -8.695 -18.688   3.942
  715    HA   LYS 114           HA       LYS 114  -6.925 -16.744   2.633
  716    HB2  LYS 114           HB2      LYS 114  -6.803 -16.341   5.008
  717    HB3  LYS 114           HB3      LYS 114  -6.551 -18.049   5.330
  718    HG2  LYS 114           HG2      LYS 114  -4.365 -17.983   4.347
  719    HG3  LYS 114           HG3      LYS 114  -4.626 -16.336   3.769
  720    HD2  LYS 114           HD2      LYS 114  -3.222 -16.454   5.813
  721    HD3  LYS 114           HD3      LYS 114  -4.690 -15.497   6.016
  722    HE2  LYS 114           HE2      LYS 114  -5.781 -17.379   7.124
  723    HE3  LYS 114           HE3      LYS 114  -4.333 -18.363   6.899
  724    HZ1  LYS 114           HZ3      LYS 114  -4.296 -15.800   8.381
  725    HZ2  LYS 114           HZ1      LYS 114  -3.128 -17.031   8.388
  726    HZ3  LYS 114           HZ2      LYS 114  -4.629 -17.279   9.142
  727    HA   PRO 115           HA       PRO 115  -5.214 -20.619   1.085
  728    HB2  PRO 115           HB2      PRO 115  -5.065 -19.759  -1.505
  729    HB3  PRO 115           HB3      PRO 115  -6.512 -20.486  -0.807
  730    HG2  PRO 115           HG2      PRO 115  -6.090 -17.750  -1.649
  731    HG3  PRO 115           HG3      PRO 115  -7.588 -18.538  -1.139
  732    HD2  PRO 115           HD2      PRO 115  -5.772 -16.816   0.400
  733    HD3  PRO 115           HD3      PRO 115  -7.454 -17.275   0.744
  734    HA   PRO 116           HA       PRO 116  -1.496 -17.995   1.660
  735    HB2  PRO 116           HB2      PRO 116  -0.276 -20.413   2.773
  736    HB3  PRO 116           HB3      PRO 116  -0.550 -18.842   3.524
  737    HG2  PRO 116           HG2      PRO 116  -1.951 -21.029   4.246
  738    HG3  PRO 116           HG3      PRO 116  -2.654 -19.400   4.264
  739    HD2  PRO 116           HD2      PRO 116  -2.961 -21.567   2.209
  740    HD3  PRO 116           HD3      PRO 116  -4.195 -20.483   2.890
  741    H    GLU 117           HN       GLU 117  -1.663 -21.220   0.283
  742    HA   GLU 117           HA       GLU 117  -0.594 -22.231  -1.427
  743    HB2  GLU 117           HB2      GLU 117  -1.307 -20.230  -2.685
  744    HB3  GLU 117           HB3      GLU 117   0.178 -19.414  -2.225
  745    HG2  GLU 117           HG2      GLU 117   0.282 -20.245  -4.510
  746    HG3  GLU 117           HG3      GLU 117   1.486 -21.019  -3.484
  747    H    THR 118           HN       THR 118   1.784 -19.652  -1.357
  748    HA   THR 118           HA       THR 118   3.586 -20.934   0.459
  749    HB   THR 118           HB       THR 118   4.400 -20.850  -2.469
  750    HG1  THR 118           HG1      THR 118   3.051 -22.710  -1.164
  751   HG21  THR 118          HG23      THR 118   5.885 -21.806  -0.014
  752   HG22  THR 118          HG21      THR 118   6.256 -20.373  -0.973
  753   HG23  THR 118          HG22      THR 118   6.446 -21.976  -1.680
  754    H    LEU 119           HN       LEU 119   4.470 -19.204   1.455
  755    HA   LEU 119           HA       LEU 119   4.205 -16.603   0.267
  756    HG   LEU 119           HG       LEU 119   3.122 -17.901   2.916
  757    HB2  LEU 119           HB2      LEU 119   5.519 -17.416   2.860
  758    HB3  LEU 119           HB3      LEU 119   5.181 -15.768   2.363
  759   HD11  LEU 119          HD11      LEU 119   3.905 -15.440   4.469
  760   HD12  LEU 119          HD12      LEU 119   2.532 -16.488   4.830
  761   HD13  LEU 119          HD13      LEU 119   4.176 -17.118   4.943
  762   HD21  LEU 119          HD23      LEU 119   1.468 -16.176   2.601
  763   HD22  LEU 119          HD21      LEU 119   2.723 -14.985   2.265
  764   HD23  LEU 119          HD22      LEU 119   2.448 -16.318   1.143
  765    H    ILE 120           HN       ILE 120   6.137 -15.042   0.532
  766    HA   ILE 120           HA       ILE 120   8.186 -15.984  -1.211
  767    HB   ILE 120           HB       ILE 120   7.299 -13.583  -1.039
  768   HG12  ILE 120          HG12      ILE 120   9.498 -12.598  -1.641
  769   HG13  ILE 120          HG13      ILE 120  10.285 -14.065  -1.068
  770   HG21  ILE 120          HG21      ILE 120   9.293 -13.451   1.222
  771   HG22  ILE 120          HG22      ILE 120   8.458 -12.075   0.505
  772   HG23  ILE 120          HG23      ILE 120   7.544 -13.304   1.385
  773   HD11  ILE 120          HD13      ILE 120  10.047 -14.017  -3.509
  774   HD12  ILE 120          HD11      ILE 120   9.162 -15.362  -2.787
  775   HD13  ILE 120          HD12      ILE 120   8.297 -13.923  -3.324
  776    H    THR 121           HN       THR 121  10.256 -16.660  -0.752
  777    HA   THR 121           HA       THR 121  11.034 -16.698   2.082
  778    HB   THR 121           HB       THR 121  10.082 -18.908   1.429
  779    HG1  THR 121           HG1      THR 121  12.463 -18.449   2.586
  780   HG21  THR 121          HG23      THR 121  11.304 -20.367  -0.095
  781   HG22  THR 121          HG21      THR 121  12.452 -19.072  -0.441
  782   HG23  THR 121          HG22      THR 121  10.766 -18.911  -0.932
  783    H    THR 122           HN       THR 122  11.756 -15.541  -0.808
  784    HA   THR 122           HA       THR 122  14.665 -15.851  -0.504
  785    HB   THR 122           HB       THR 122  14.002 -17.104  -2.480
  786    HG1  THR 122           HG1      THR 122  15.569 -16.268  -3.653
  787   HG21  THR 122          HG23      THR 122  12.720 -14.548  -3.461
  788   HG22  THR 122          HG21      THR 122  11.865 -15.991  -2.920
  789   HG23  THR 122          HG22      THR 122  12.864 -16.055  -4.371
  790    H    ILE 123           HN       ILE 123  15.895 -13.989  -0.879
  791    HA   ILE 123           HA       ILE 123  14.342 -11.518  -1.221
  792    HB   ILE 123           HB       ILE 123  16.658 -11.859   0.703
  793   HG12  ILE 123          HG12      ILE 123  14.736 -11.021   2.308
  794   HG13  ILE 123          HG13      ILE 123  13.690 -11.729   1.084
  795   HG21  ILE 123          HG21      ILE 123  15.006  -9.430   0.025
  796   HG22  ILE 123          HG22      ILE 123  16.182  -9.527   1.337
  797   HG23  ILE 123          HG23      ILE 123  16.712  -9.690  -0.336
  798   HD11  ILE 123          HD13      ILE 123  14.077 -13.298   2.863
  799   HD12  ILE 123          HD11      ILE 123  14.850 -13.880   1.388
  800   HD13  ILE 123          HD12      ILE 123  15.821 -13.144   2.664
  801    H    ASP 124           HN       ASP 124  15.128 -10.152  -2.708
  802    HA   ASP 124           HA       ASP 124  17.230 -10.890  -4.435
  803    HB2  ASP 124           HB2      ASP 124  16.956  -8.580  -5.371
  804    HB3  ASP 124           HB3      ASP 124  15.445  -9.475  -5.255
  805    H    SER 125           HN       SER 125  16.992  -8.294  -2.057
  806    HA   SER 125           HA       SER 125  19.611  -8.420  -1.047
  807    HG   SER 125           HG       SER 125  20.202  -8.537  -3.530
  808    HB2  SER 125           HB2      SER 125  19.103  -6.338  -3.198
  809    HB3  SER 125           HB3      SER 125  20.384  -6.184  -1.999
  810    H    SER 126           HN       SER 126  16.824  -6.472  -1.911
  811    HA   SER 126           HA       SER 126  16.579  -5.654   0.882
  812    HG   SER 126           HG       SER 126  17.141  -4.378  -2.287
  813    HB2  SER 126           HB2      SER 126  16.019  -3.301   0.081
  814    HB3  SER 126           HB3      SER 126  17.715  -3.765  -0.003
  815    H    SER 127           HN       SER 127  14.941  -4.708  -2.135
  816    HA   SER 127           HA       SER 127  12.672  -6.397  -1.638
  817    HG   SER 127           HG       SER 127  12.775  -5.284   0.416
  818    HB2  SER 127           HB2      SER 127  12.334  -3.389  -1.403
  819    HB3  SER 127           HB3      SER 127  11.015  -4.559  -1.472
  820    H    SER 128           HN       SER 128  11.078  -6.231  -3.366
  821    HA   SER 128           HA       SER 128  12.090  -4.911  -5.786
  822    HG   SER 128           HG       SER 128  13.109  -7.304  -4.905
  823    HB2  SER 128           HB2      SER 128  10.820  -7.659  -5.696
  824    HB3  SER 128           HB3      SER 128  11.438  -6.832  -7.127
  825    HHA  HEM 129           HHA      HEM 129  -5.820  17.236  -6.576
  826    HHB  HEM 129           HHB      HEM 129  -1.838  12.155  -6.480
  827    HHC  HEM 129           HHC      HEM 129  -4.673  10.010  -1.219
  828    HHD  HEM 129           HHD      HEM 129  -9.203  14.575  -1.779
  829    HAB  HEM 129           HAB      HEM 129  -2.338   9.270  -1.048
  830    HAC  HEM 129           HAC      HEM 129 -10.030  12.877  -0.238
  831   HMA1  HEM 129          HMA1      HEM 129  -1.277  15.437  -8.647
  832   HMA2  HEM 129          HMA2      HEM 129  -0.559  14.561  -7.292
  833   HMA3  HEM 129          HMA3      HEM 129  -1.420  13.685  -8.569
  834   HAA1  HEM 129          HAA1      HEM 129  -2.928  17.496  -8.364
  835   HAA2  HEM 129          HAA2      HEM 129  -3.225  16.200  -9.048
  836   HBA1  HEM 129          HBA1      HEM 129  -5.106  17.934  -9.553
  837   HBA2  HEM 129          HBA2      HEM 129  -5.816  16.437  -8.919
  838   HMB1  HEM 129          HMB1      HEM 129   0.315  11.540  -3.733
  839   HMB2  HEM 129          HMB2      HEM 129  -0.120  10.133  -4.906
  840   HMB3  HEM 129          HMB3      HEM 129  -0.292  10.219  -3.393
  841   HBB1  HEM 129          HBB1      HEM 129  -1.442   8.144  -3.734
  842   HBB2  HEM 129          HBB2      HEM 129  -1.531   7.267  -2.081
  843   HMC1  HEM 129          HMC1      HEM 129  -6.568  10.297   1.165
  844   HMC2  HEM 129          HMC2      HEM 129  -8.032   9.764   0.327
  845   HMC3  HEM 129          HMC3      HEM 129  -6.397   9.319  -0.276
  846   HBC1  HEM 129          HBC1      HEM 129 -10.006  12.478   2.087
  847   HBC2  HEM 129          HBC2      HEM 129  -8.219  11.995   2.059
  848   HMD1  HEM 129          HMD1      HEM 129 -10.236  16.337  -2.213
  849   HMD2  HEM 129          HMD2      HEM 129 -10.307  17.771  -3.420
  850   HMD3  HEM 129          HMD3      HEM 129  -9.235  17.468  -2.396
  851   HAD1  HEM 129          HAD1      HEM 129  -7.697  19.161  -5.084
  852   HAD2  HEM 129          HAD2      HEM 129  -7.258  18.095  -6.058
  853   HBD1  HEM 129          HBD1      HEM 129  -9.365  19.314  -6.872
  854   HBD2  HEM 129          HBD2      HEM 129  -9.809  17.609  -6.678
  Start of MODEL   18
    1    HA   MET  21           HA       MET  21   4.386 -17.067   8.681
    2    H1   MET  21           1H       MET  21   4.990 -14.427   7.817
    3    HB2  MET  21           HB2      MET  21   3.577 -16.018   6.561
    4    HB3  MET  21           HB3      MET  21   5.196 -16.227   5.906
    5    HG2  MET  21           HG2      MET  21   4.991 -18.663   6.294
    6    HG3  MET  21           HG3      MET  21   3.328 -18.396   6.821
    7    HE1  MET  21           HE3      MET  21   1.418 -17.482   5.297
    8    HE2  MET  21           HE1      MET  21   2.416 -16.071   4.954
    9    HE3  MET  21           HE2      MET  21   1.654 -16.954   3.632
   10    H    ALA  22           HN       ALA  22   6.939 -16.420   6.296
   11    HA   ALA  22           HA       ALA  22   8.872 -17.946   7.829
   12    HB1  ALA  22           HB3      ALA  22   7.896 -18.970   5.165
   13    HB2  ALA  22           HB1      ALA  22   9.196 -19.658   6.134
   14    HB3  ALA  22           HB2      ALA  22   7.536 -19.696   6.732
   15    H    GLU  23           HN       GLU  23   8.274 -16.943   4.441
   16    HA   GLU  23           HA       GLU  23  11.035 -16.005   4.350
   17    HB2  GLU  23           HB2      GLU  23  10.615 -15.737   1.882
   18    HB3  GLU  23           HB3      GLU  23  10.543 -17.387   2.484
   19    HG2  GLU  23           HG2      GLU  23   8.094 -17.256   2.494
   20    HG3  GLU  23           HG3      GLU  23   8.192 -15.615   1.852
   21    H    GLN  24           HN       GLN  24  11.035 -13.970   2.568
   22    HA   GLN  24           HA       GLN  24   9.597 -11.956   4.168
   23    HB2  GLN  24           HB2      GLN  24  12.049 -11.935   4.367
   24    HB3  GLN  24           HB3      GLN  24  12.183 -11.691   2.633
   25    HG2  GLN  24           HG2      GLN  24  12.539  -9.617   3.783
   26    HG3  GLN  24           HG3      GLN  24  11.038  -9.532   2.865
   27   HE21  GLN  24          HE21      GLN  24  12.454  -9.715   6.036
   28   HE22  GLN  24          HE22      GLN  24  11.046  -9.228   6.914
   29    H    SER  25           HN       SER  25  11.099 -12.044   0.934
   30    HA   SER  25           HA       SER  25   8.706 -10.709  -0.130
   31    HG   SER  25           HG       SER  25   9.742  -9.232   1.367
   32    HB2  SER  25           HB2      SER  25  11.556  -9.767  -0.537
   33    HB3  SER  25           HB3      SER  25  10.117  -9.048  -1.260
   34    H    ASP  26           HN       ASP  26  10.455 -13.244  -0.239
   35    HA   ASP  26           HA       ASP  26  11.804 -13.478  -2.674
   36    HB2  ASP  26           HB2      ASP  26  10.633 -15.717  -1.005
   37    HB3  ASP  26           HB3      ASP  26  12.013 -15.813  -2.090
   38    H    GLU  27           HN       GLU  27   8.780 -15.048  -1.694
   39    HA   GLU  27           HA       GLU  27   7.867 -14.991  -4.505
   40    HB2  GLU  27           HB2      GLU  27   8.120 -17.250  -3.527
   41    HB3  GLU  27           HB3      GLU  27   7.079 -16.789  -2.193
   42    HG2  GLU  27           HG2      GLU  27   5.600 -17.938  -3.466
   43    HG3  GLU  27           HG3      GLU  27   5.358 -16.321  -4.129
   44    H    ALA  28           HN       ALA  28   7.580 -13.643  -1.482
   45    HA   ALA  28           HA       ALA  28   4.674 -13.407  -1.480
   46    HB1  ALA  28           HB3      ALA  28   4.924 -12.694   0.830
   47    HB2  ALA  28           HB1      ALA  28   5.767 -14.215   0.548
   48    HB3  ALA  28           HB2      ALA  28   6.676 -12.709   0.660
   49    H    VAL  29           HN       VAL  29   3.716 -11.678  -2.177
   50    HA   VAL  29           HA       VAL  29   4.959  -9.131  -2.582
   51    HB   VAL  29           HB       VAL  29   1.999  -9.769  -2.395
   52   HG11  VAL  29          HG11      VAL  29   1.702  -7.777  -3.778
   53   HG12  VAL  29          HG12      VAL  29   2.502  -7.389  -2.256
   54   HG13  VAL  29          HG13      VAL  29   3.446  -7.494  -3.744
   55   HG21  VAL  29          HG23      VAL  29   3.088 -11.197  -4.063
   56   HG22  VAL  29          HG21      VAL  29   2.010 -10.022  -4.814
   57   HG23  VAL  29          HG22      VAL  29   3.757  -9.765  -4.845
   58    H    LYS  30           HN       LYS  30   5.093  -7.450  -1.121
   59    HA   LYS  30           HA       LYS  30   4.849  -8.141   1.594
   60    HB2  LYS  30           HB2      LYS  30   5.282  -5.435   0.337
   61    HB3  LYS  30           HB3      LYS  30   5.315  -5.723   2.069
   62    HG2  LYS  30           HG2      LYS  30   7.132  -7.433   1.601
   63    HG3  LYS  30           HG3      LYS  30   7.212  -6.738  -0.019
   64    HD2  LYS  30           HD2      LYS  30   7.729  -4.554   0.914
   65    HD3  LYS  30           HD3      LYS  30   7.557  -5.194   2.552
   66    HE2  LYS  30           HE2      LYS  30   9.889  -5.070   2.041
   67    HE3  LYS  30           HE3      LYS  30   9.419  -6.766   2.064
   68    HZ1  LYS  30           HZ3      LYS  30   9.162  -6.498  -0.444
   69    HZ2  LYS  30           HZ1      LYS  30  10.735  -6.546   0.182
   70    HZ3  LYS  30           HZ2      LYS  30  10.051  -5.066  -0.267
   71    H    TYR  31           HN       TYR  31   3.235  -8.067   2.960
   72    HA   TYR  31           HA       TYR  31   0.965  -6.295   2.355
   73    HD1  TYR  31           HD2      TYR  31  -0.326  -7.367   0.741
   74    HD2  TYR  31           HD1      TYR  31   0.858 -10.861   2.856
   75    HE1  TYR  31           HE2      TYR  31  -0.635  -8.701  -1.301
   76    HE2  TYR  31           HE1      TYR  31   0.554 -12.205   0.820
   77    HH   TYR  31           HH       TYR  31   0.204 -10.850  -2.240
   78    HB2  TYR  31           HB2      TYR  31   0.875  -8.857   3.961
   79    HB3  TYR  31           HB3      TYR  31  -0.495  -7.849   3.513
   80    H    TYR  32           HN       TYR  32   0.235  -4.967   4.011
   81    HA   TYR  32           HA       TYR  32   1.961  -4.902   6.384
   82    HD1  TYR  32           HD1      TYR  32   1.617  -3.557   3.171
   83    HD2  TYR  32           HD2      TYR  32   2.956  -1.472   6.626
   84    HE1  TYR  32           HE1      TYR  32   3.542  -2.717   1.901
   85    HE2  TYR  32           HE2      TYR  32   4.892  -0.624   5.367
   86    HH   TYR  32           HH       TYR  32   5.181  -1.054   1.919
   87    HB2  TYR  32           HB2      TYR  32   0.075  -2.835   5.238
   88    HB3  TYR  32           HB3      TYR  32   0.975  -2.630   6.739
   89    H    THR  33           HN       THR  33   0.786  -4.243   8.475
   90    HA   THR  33           HA       THR  33  -1.648  -5.852   8.659
   91    HB   THR  33           HB       THR  33  -1.437  -5.305  11.157
   92    HG1  THR  33           HG1      THR  33   1.003  -4.278  10.166
   93   HG21  THR  33          HG23      THR  33   0.155  -7.122  11.489
   94   HG22  THR  33          HG21      THR  33   0.674  -6.975   9.810
   95   HG23  THR  33          HG22      THR  33  -0.973  -7.486  10.180
   96    H    LEU  34           HN       LEU  34  -3.628  -5.065   9.081
   97    HA   LEU  34           HA       LEU  34  -4.197  -2.357   8.493
   98    HG   LEU  34           HG       LEU  34  -6.861  -2.154   9.991
   99    HB2  LEU  34           HB2      LEU  34  -5.771  -4.204   8.077
  100    HB3  LEU  34           HB3      LEU  34  -5.929  -4.491   9.793
  101   HD11  LEU  34          HD11      LEU  34  -7.748  -1.146   7.933
  102   HD12  LEU  34          HD12      LEU  34  -5.988  -1.217   7.955
  103   HD13  LEU  34          HD13      LEU  34  -6.901  -2.375   6.991
  104   HD21  LEU  34          HD23      LEU  34  -9.080  -2.757   9.146
  105   HD22  LEU  34          HD21      LEU  34  -8.374  -4.110   8.262
  106   HD23  LEU  34          HD22      LEU  34  -8.330  -4.088  10.023
  107    H    GLU  35           HN       GLU  35  -3.399  -4.137  11.241
  108    HA   GLU  35           HA       GLU  35  -4.268  -2.542  13.389
  109    HB2  GLU  35           HB2      GLU  35  -1.934  -4.449  13.113
  110    HB3  GLU  35           HB3      GLU  35  -2.495  -3.789  14.639
  111    HG2  GLU  35           HG2      GLU  35  -3.289  -6.043  14.346
  112    HG3  GLU  35           HG3      GLU  35  -4.641  -4.919  14.344
  113    H    GLU  36           HN       GLU  36  -1.461  -2.384  11.299
  114    HA   GLU  36           HA       GLU  36  -0.034  -0.625  13.138
  115    HB2  GLU  36           HB2      GLU  36   1.883  -0.970  11.797
  116    HB3  GLU  36           HB3      GLU  36   1.079  -2.529  11.889
  117    HG2  GLU  36           HG2      GLU  36   0.156  -2.198   9.652
  118    HG3  GLU  36           HG3      GLU  36   0.947  -0.622   9.564
  119    H    ILE  37           HN       ILE  37  -1.767  -0.516  10.149
  120    HA   ILE  37           HA       ILE  37  -0.773   2.055   9.345
  121    HB   ILE  37           HB       ILE  37  -3.105   0.445   8.282
  122   HG12  ILE  37          HG12      ILE  37  -0.305   0.779   7.202
  123   HG13  ILE  37          HG13      ILE  37  -0.873  -0.638   8.080
  124   HG21  ILE  37          HG21      ILE  37  -1.695   2.820   7.069
  125   HG22  ILE  37          HG22      ILE  37  -2.960   1.864   6.299
  126   HG23  ILE  37          HG23      ILE  37  -3.331   2.819   7.734
  127   HD11  ILE  37          HD13      ILE  37  -0.835  -0.981   5.661
  128   HD12  ILE  37          HD11      ILE  37  -2.465  -1.114   6.321
  129   HD13  ILE  37          HD12      ILE  37  -1.976   0.347   5.460
  130    H    GLN  38           HN       GLN  38  -3.416   0.816  11.204
  131    HA   GLN  38           HA       GLN  38  -5.052   3.086  11.298
  132    HB2  GLN  38           HB2      GLN  38  -4.682   0.639  12.859
  133    HB3  GLN  38           HB3      GLN  38  -5.267   1.998  13.811
  134    HG2  GLN  38           HG2      GLN  38  -6.525   1.015  11.260
  135    HG3  GLN  38           HG3      GLN  38  -7.080   0.613  12.886
  136   HE21  GLN  38          HE21      GLN  38  -6.781   3.145  10.490
  137   HE22  GLN  38          HE22      GLN  38  -7.881   4.251  11.245
  138    H    LYS  39           HN       LYS  39  -2.201   2.194  13.171
  139    HA   LYS  39           HA       LYS  39  -2.404   4.586  14.784
  140    HB2  LYS  39           HB2      LYS  39  -0.185   3.720  15.721
  141    HB3  LYS  39           HB3      LYS  39  -1.625   2.763  16.015
  142    HG2  LYS  39           HG2      LYS  39  -1.005   1.219  14.275
  143    HG3  LYS  39           HG3      LYS  39   0.402   2.200  13.855
  144    HD2  LYS  39           HD2      LYS  39   1.080   0.310  15.216
  145    HD3  LYS  39           HD3      LYS  39   1.284   1.801  16.146
  146    HE2  LYS  39           HE2      LYS  39   0.239   0.414  17.675
  147    HE3  LYS  39           HE3      LYS  39  -1.109   1.311  16.977
  148    HZ1  LYS  39           HZ3      LYS  39  -0.310  -1.482  16.407
  149    HZ2  LYS  39           HZ1      LYS  39  -1.389  -0.620  15.414
  150    HZ3  LYS  39           HZ2      LYS  39  -1.777  -0.920  17.036
  151    H    HIS  40           HN       HIS  40  -1.711   4.362  11.750
  152    HA   HIS  40           HA       HIS  40   0.462   6.369  11.846
  153    HD1  HIS  40           HD1      HIS  40   1.488   2.498   9.412
  154    HD2  HIS  40           HD2      HIS  40   2.513   5.253  12.349
  155    HE1  HIS  40           HE1      HIS  40   3.445   1.490  10.624
  156    HE2  HIS  40           HE2      HIS  40   4.128   3.228  12.317
  157    HB2  HIS  40           HB2      HIS  40  -0.204   4.369   9.653
  158    HB3  HIS  40           HB3      HIS  40   0.900   5.715   9.443
  159    H    ASN  41           HN       ASN  41  -2.154   7.010  12.373
  160    HA   ASN  41           HA       ASN  41  -3.333   8.119   9.912
  161    HB2  ASN  41           HB2      ASN  41  -5.411   8.172  11.071
  162    HB3  ASN  41           HB3      ASN  41  -4.678   6.629  11.491
  163   HD21  ASN  41          HD21      ASN  41  -4.155   6.210  13.597
  164   HD22  ASN  41          HD22      ASN  41  -4.538   7.277  14.906
  165    H    HIS  42           HN       HIS  42  -1.126   9.235  11.936
  166    HA   HIS  42           HA       HIS  42  -2.520  11.715  12.635
  167    HD1  HIS  42           HD1      HIS  42   0.615   9.770  13.635
  168    HD2  HIS  42           HD2      HIS  42  -2.155   8.456  16.443
  169    HE1  HIS  42           HE1      HIS  42   1.717   7.846  14.815
  170    HE2  HIS  42           HE2      HIS  42  -0.081   6.912  16.317
  171    HB2  HIS  42           HB2      HIS  42  -1.800  11.477  15.015
  172    HB3  HIS  42           HB3      HIS  42  -2.997  10.293  14.505
  173    H    SER  43           HN       SER  43  -0.831  12.820  14.371
  174    HA   SER  43           HA       SER  43   0.891  14.323  12.981
  175    HG   SER  43           HG       SER  43  -0.331  15.183  15.915
  176    HB2  SER  43           HB2      SER  43   1.700  13.475  15.733
  177    HB3  SER  43           HB3      SER  43   1.581  15.098  15.052
  178    H    LYS  44           HN       LYS  44   1.876  11.384  14.723
  179    HA   LYS  44           HA       LYS  44   4.634  11.676  14.105
  180    HB2  LYS  44           HB2      LYS  44   3.000   9.531  15.423
  181    HB3  LYS  44           HB3      LYS  44   4.712   9.293  15.091
  182    HG2  LYS  44           HG2      LYS  44   5.227  11.308  16.395
  183    HG3  LYS  44           HG3      LYS  44   3.512  11.492  16.764
  184    HD2  LYS  44           HD2      LYS  44   3.492   9.466  18.020
  185    HD3  LYS  44           HD3      LYS  44   5.106   9.030  17.454
  186    HE2  LYS  44           HE2      LYS  44   4.461  11.432  19.167
  187    HE3  LYS  44           HE3      LYS  44   5.103   9.905  19.769
  188    HZ1  LYS  44           HZ3      LYS  44   7.094  10.224  18.530
  189    HZ2  LYS  44           HZ1      LYS  44   6.809  11.656  19.392
  190    HZ3  LYS  44           HZ2      LYS  44   6.471  11.581  17.731
  191    H    SER  45           HN       SER  45   2.133  10.510  12.199
  192    HA   SER  45           HA       SER  45   3.695   9.736  10.056
  193    HG   SER  45           HG       SER  45   4.126   7.471   9.146
  194    HB2  SER  45           HB2      SER  45   4.379   7.781  11.416
  195    HB3  SER  45           HB3      SER  45   2.693   7.324  11.599
  196    H    THR  46           HN       THR  46   2.420   9.671   8.269
  197    HA   THR  46           HA       THR  46  -0.457   9.252   8.702
  198    HB   THR  46           HB       THR  46   0.662  11.341   6.825
  199    HG1  THR  46           HG1      THR  46  -0.692  12.330   8.948
  200   HG21  THR  46          HG23      THR  46  -1.673  12.153   6.859
  201   HG22  THR  46          HG21      THR  46  -2.114  10.783   7.874
  202   HG23  THR  46          HG22      THR  46  -1.544  10.513   6.229
  203    H    TRP  47           HN       TRP  47  -0.853   7.380   7.691
  204    HA   TRP  47           HA       TRP  47  -0.007   7.162   4.871
  205    HD1  TRP  47           HD1      TRP  47   2.116   7.110   5.793
  206    HE1  TRP  47           HE1      TRP  47   4.383   6.015   6.329
  207    HE3  TRP  47           HE3      TRP  47   0.504   2.361   6.807
  208    HZ2  TRP  47           HZ2      TRP  47   5.342   3.477   7.097
  209    HZ3  TRP  47           HZ3      TRP  47   2.171   0.657   7.425
  210    HH2  TRP  47           HH2      TRP  47   4.546   1.204   7.563
  211    HB2  TRP  47           HB2      TRP  47  -0.673   4.933   6.813
  212    HB3  TRP  47           HB3      TRP  47  -0.408   4.708   5.092
  213    H    LEU  48           HN       LEU  48  -1.693   5.568   3.721
  214    HA   LEU  48           HA       LEU  48  -4.348   5.750   4.846
  215    HG   LEU  48           HG       LEU  48  -3.377   6.076   1.328
  216    HB2  LEU  48           HB2      LEU  48  -5.415   6.743   2.929
  217    HB3  LEU  48           HB3      LEU  48  -4.209   7.837   3.577
  218   HD11  LEU  48          HD11      LEU  48  -4.270   7.729  -0.294
  219   HD12  LEU  48          HD12      LEU  48  -5.527   6.804   0.533
  220   HD13  LEU  48          HD13      LEU  48  -5.190   8.466   1.019
  221   HD21  LEU  48          HD23      LEU  48  -1.815   7.621   2.423
  222   HD22  LEU  48          HD21      LEU  48  -2.075   8.039   0.730
  223   HD23  LEU  48          HD22      LEU  48  -2.867   8.971   2.002
  224    H    ILE  49           HN       ILE  49  -5.970   4.719   3.216
  225    HA   ILE  49           HA       ILE  49  -4.691   2.539   1.719
  226    HB   ILE  49           HB       ILE  49  -6.980   2.236   3.676
  227   HG12  ILE  49          HG12      ILE  49  -4.222   0.999   3.600
  228   HG13  ILE  49          HG13      ILE  49  -4.740   2.284   4.681
  229   HG21  ILE  49          HG21      ILE  49  -5.844   0.204   1.752
  230   HG22  ILE  49          HG22      ILE  49  -6.979  -0.152   3.056
  231   HG23  ILE  49          HG23      ILE  49  -7.467   0.894   1.722
  232   HD11  ILE  49          HD13      ILE  49  -6.326   0.777   5.730
  233   HD12  ILE  49          HD11      ILE  49  -5.854  -0.509   4.622
  234   HD13  ILE  49          HD12      ILE  49  -4.692   0.121   5.790
  235    H    LEU  50           HN       LEU  50  -5.467   2.358  -0.274
  236    HA   LEU  50           HA       LEU  50  -8.148   3.455  -0.851
  237    HG   LEU  50           HG       LEU  50  -5.881   5.490  -1.009
  238    HB2  LEU  50           HB2      LEU  50  -5.626   3.573  -2.496
  239    HB3  LEU  50           HB3      LEU  50  -7.211   3.868  -3.180
  240   HD11  LEU  50          HD11      LEU  50  -5.912   7.261  -2.737
  241   HD12  LEU  50          HD12      LEU  50  -4.893   5.890  -3.166
  242   HD13  LEU  50          HD13      LEU  50  -6.484   6.068  -3.906
  243   HD21  LEU  50          HD23      LEU  50  -8.310   5.361  -0.693
  244   HD22  LEU  50          HD21      LEU  50  -7.804   6.977  -1.186
  245   HD23  LEU  50          HD22      LEU  50  -8.554   5.892  -2.356
  246    H    HIS  51           HN       HIS  51  -9.409   1.713  -1.050
  247    HA   HIS  51           HA       HIS  51 -10.287  -0.244  -1.796
  248    HD1  HIS  51           HD1      HIS  51 -11.173  -1.266  -5.072
  249    HD2  HIS  51           HD2      HIS  51  -9.452   2.445  -4.317
  250    HE1  HIS  51           HE1      HIS  51 -12.473   0.381  -6.459
  251    HE2  HIS  51           HE2      HIS  51 -11.539   2.640  -5.841
  252    HB2  HIS  51           HB2      HIS  51  -8.024  -0.080  -3.781
  253    HB3  HIS  51           HB3      HIS  51  -9.121  -1.451  -3.720
  254    H    HIS  52           HN       HIS  52  -6.751  -0.577  -1.867
  255    HA   HIS  52           HA       HIS  52  -6.859  -2.789   0.043
  256    HD1  HIS  52           HD1      HIS  52  -6.214  -5.928  -3.174
  257    HD2  HIS  52           HD2      HIS  52  -8.606  -4.143  -0.277
  258    HE1  HIS  52           HE1      HIS  52  -8.038  -7.588  -2.681
  259    HE2  HIS  52           HE2      HIS  52  -9.468  -6.496  -0.909
  260    HB2  HIS  52           HB2      HIS  52  -6.274  -3.047  -2.849
  261    HB3  HIS  52           HB3      HIS  52  -5.154  -3.858  -1.764
  262    H    LYS  53           HN       LYS  53  -5.140  -0.424  -1.818
  263    HA   LYS  53           HA       LYS  53  -2.584  -1.431  -0.911
  264    HB2  LYS  53           HB2      LYS  53  -3.252   0.680  -2.970
  265    HB3  LYS  53           HB3      LYS  53  -1.638   0.060  -2.627
  266    HG2  LYS  53           HG2      LYS  53  -1.980  -1.866  -3.730
  267    HG3  LYS  53           HG3      LYS  53  -3.653  -1.994  -3.190
  268    HD2  LYS  53           HD2      LYS  53  -3.842  -1.693  -5.490
  269    HD3  LYS  53           HD3      LYS  53  -4.112  -0.074  -4.843
  270    HE2  LYS  53           HE2      LYS  53  -1.946   0.632  -5.449
  271    HE3  LYS  53           HE3      LYS  53  -1.413  -1.022  -5.753
  272    HZ1  LYS  53           HZ3      LYS  53  -3.399   0.502  -7.353
  273    HZ2  LYS  53           HZ1      LYS  53  -2.981  -1.120  -7.614
  274    HZ3  LYS  53           HZ2      LYS  53  -1.825   0.095  -7.824
  275    H    VAL  54           HN       VAL  54  -1.334  -0.534   0.513
  276    HA   VAL  54           HA       VAL  54  -2.224   1.812   1.964
  277    HB   VAL  54           HB       VAL  54  -1.289  -0.048   3.231
  278   HG11  VAL  54          HG11      VAL  54   1.072  -0.679   3.043
  279   HG12  VAL  54          HG12      VAL  54   0.179  -0.994   1.555
  280   HG13  VAL  54          HG13      VAL  54   1.242   0.408   1.666
  281   HG21  VAL  54          HG23      VAL  54  -0.940   2.210   4.116
  282   HG22  VAL  54          HG21      VAL  54   0.390   1.137   4.551
  283   HG23  VAL  54          HG22      VAL  54   0.592   2.313   3.252
  284    H    TYR  55           HN       TYR  55  -1.395   3.812   1.780
  285    HA   TYR  55           HA       TYR  55   0.877   4.179  -0.059
  286    HD1  TYR  55           HD2      TYR  55  -2.978   4.170  -0.240
  287    HD2  TYR  55           HD1      TYR  55  -0.005   5.760  -2.825
  288    HE1  TYR  55           HE2      TYR  55  -4.150   3.205  -2.171
  289    HE2  TYR  55           HE1      TYR  55  -1.173   4.809  -4.763
  290    HH   TYR  55           HH       TYR  55  -4.315   3.679  -4.637
  291    HB2  TYR  55           HB2      TYR  55  -1.440   6.071   0.426
  292    HB3  TYR  55           HB3      TYR  55  -0.044   6.415  -0.587
  293    H    ASP  56           HN       ASP  56   2.509   5.532   0.603
  294    HA   ASP  56           HA       ASP  56   2.352   6.485   3.373
  295    HB2  ASP  56           HB2      ASP  56   4.283   5.059   2.728
  296    HB3  ASP  56           HB3      ASP  56   4.755   6.264   1.544
  297    H    LEU  57           HN       LEU  57   2.273   8.676   3.797
  298    HA   LEU  57           HA       LEU  57   2.696  10.418   1.465
  299    HG   LEU  57           HG       LEU  57  -0.052   9.481   2.873
  300    HB2  LEU  57           HB2      LEU  57   1.320  11.185   4.027
  301    HB3  LEU  57           HB3      LEU  57   1.391  12.109   2.544
  302   HD11  LEU  57          HD11      LEU  57  -2.079  10.801   2.755
  303   HD12  LEU  57          HD12      LEU  57  -1.087  11.319   4.118
  304   HD13  LEU  57          HD13      LEU  57  -1.130  12.284   2.641
  305   HD21  LEU  57          HD23      LEU  57  -0.023  11.426   0.565
  306   HD22  LEU  57          HD21      LEU  57   0.811   9.871   0.599
  307   HD23  LEU  57          HD22      LEU  57  -0.952   9.929   0.664
  308    H    THR  58           HN       THR  58   3.006  10.584   4.954
  309    HA   THR  58           HA       THR  58   4.434  11.595   6.361
  310    HB   THR  58           HB       THR  58   6.535  10.517   4.511
  311    HG1  THR  58           HG1      THR  58   5.502   8.690   4.946
  312   HG21  THR  58          HG23      THR  58   7.429  11.917   6.277
  313   HG22  THR  58          HG21      THR  58   7.782  10.225   6.628
  314   HG23  THR  58          HG22      THR  58   6.472  11.048   7.479
  315    H    LYS  59           HN       LYS  59   6.442  12.207   3.464
  316    HA   LYS  59           HA       LYS  59   6.849  14.933   4.256
  317    HB2  LYS  59           HB2      LYS  59   7.540  13.395   1.759
  318    HB3  LYS  59           HB3      LYS  59   7.894  15.109   1.945
  319    HG2  LYS  59           HG2      LYS  59   9.229  14.582   3.944
  320    HG3  LYS  59           HG3      LYS  59   8.945  12.863   3.646
  321    HD2  LYS  59           HD2      LYS  59  10.079  12.978   1.541
  322    HD3  LYS  59           HD3      LYS  59  10.205  14.736   1.651
  323    HE2  LYS  59           HE2      LYS  59  12.329  13.829   2.227
  324    HE3  LYS  59           HE3      LYS  59  11.584  14.422   3.707
  325    HZ1  LYS  59           HZ3      LYS  59  12.662  12.217   3.917
  326    HZ2  LYS  59           HZ1      LYS  59  11.510  11.586   2.851
  327    HZ3  LYS  59           HZ2      LYS  59  11.023  12.214   4.346
  328    H    PHE  60           HN       PHE  60   4.636  13.208   2.269
  329    HA   PHE  60           HA       PHE  60   4.100  15.185   0.329
  330    HD1  PHE  60           HD2      PHE  60   3.733  14.494  -1.965
  331    HD2  PHE  60           HD1      PHE  60   0.278  12.982   0.015
  332    HE1  PHE  60           HE2      PHE  60   2.374  14.990  -3.959
  333    HE2  PHE  60           HE1      PHE  60  -1.080  13.471  -1.977
  334    HZ   PHE  60           HZ       PHE  60  -0.035  14.475  -3.967
  335    HB2  PHE  60           HB2      PHE  60   3.704  12.697   0.086
  336    HB3  PHE  60           HB3      PHE  60   2.286  12.897   1.104
  337    H    LEU  61           HN       LEU  61   3.301  15.148   3.514
  338    HA   LEU  61           HA       LEU  61   0.584  15.544   3.694
  339    HG   LEU  61           HG       LEU  61   2.841  14.201   5.388
  340    HB2  LEU  61           HB2      LEU  61   2.776  16.661   5.428
  341    HB3  LEU  61           HB3      LEU  61   1.075  16.614   5.870
  342   HD11  LEU  61          HD11      LEU  61   2.482  13.835   7.803
  343   HD12  LEU  61          HD12      LEU  61   3.391  15.300   7.450
  344   HD13  LEU  61          HD13      LEU  61   1.692  15.408   7.896
  345   HD21  LEU  61          HD23      LEU  61   0.913  12.915   6.182
  346   HD22  LEU  61          HD21      LEU  61  -0.049  14.393   6.237
  347   HD23  LEU  61          HD22      LEU  61   0.546  13.785   4.692
  348    H    GLU  62           HN       GLU  62   3.016  17.865   2.735
  349    HA   GLU  62           HA       GLU  62   1.169  20.084   3.255
  350    HB2  GLU  62           HB2      GLU  62   3.161  21.518   3.068
  351    HB3  GLU  62           HB3      GLU  62   3.360  20.268   4.285
  352    HG2  GLU  62           HG2      GLU  62   4.714  18.949   2.776
  353    HG3  GLU  62           HG3      GLU  62   4.465  20.135   1.495
  354    H    GLU  63           HN       GLU  63   2.526  18.251   0.750
  355    HA   GLU  63           HA       GLU  63   2.621  20.352  -1.237
  356    HB2  GLU  63           HB2      GLU  63   3.171  17.385  -1.389
  357    HB3  GLU  63           HB3      GLU  63   3.391  18.507  -2.725
  358    HG2  GLU  63           HG2      GLU  63   4.818  18.742  -0.083
  359    HG3  GLU  63           HG3      GLU  63   5.477  17.928  -1.500
  360    H    HIS  64           HN       HIS  64   0.424  17.928  -0.201
  361    HA   HIS  64           HA       HIS  64  -1.027  17.724  -2.635
  362    HD1  HIS  64           HD1      HIS  64  -4.268  16.869   0.204
  363    HD2  HIS  64           HD2      HIS  64  -2.641  14.852  -3.103
  364    HE1  HIS  64           HE1      HIS  64  -6.187  15.596  -0.902
  365    HB2  HIS  64           HB3      HIS  64  -0.917  15.872  -1.059
  366    HB3  HIS  64           HB2      HIS  64  -1.678  16.813   0.184
  367    HA   PRO  65           HA       PRO  65  -3.625  21.368  -2.496
  368    HB2  PRO  65           HB2      PRO  65  -5.791  19.336  -2.927
  369    HB3  PRO  65           HB3      PRO  65  -5.534  20.890  -3.734
  370    HG2  PRO  65           HG2      PRO  65  -4.821  18.628  -4.933
  371    HG3  PRO  65           HG3      PRO  65  -3.794  20.071  -5.039
  372    HD2  PRO  65           HD2      PRO  65  -3.396  17.580  -3.474
  373    HD3  PRO  65           HD3      PRO  65  -2.194  18.682  -4.168
  374    H    GLY  66           HN       GLY  66  -5.178  18.530  -0.975
  375    HA2  GLY  66           HA1      GLY  66  -6.281  20.205   1.135
  376    HA3  GLY  66           HA2      GLY  66  -6.538  18.475   0.931
  377    H    GLY  67           HN       GLY  67  -4.851  20.851   2.639
  378    HA2  GLY  67           HA1      GLY  67  -2.439  19.369   3.098
  379    HA3  GLY  67           HA2      GLY  67  -2.881  20.895   3.838
  380    H    GLU  68           HN       GLU  68  -1.822  18.190   4.715
  381    HA   GLU  68           HA       GLU  68  -1.875  16.840   6.537
  382    HB2  GLU  68           HB2      GLU  68  -0.978  19.032   7.306
  383    HB3  GLU  68           HB3      GLU  68  -2.581  19.421   7.917
  384    HG2  GLU  68           HG2      GLU  68  -2.462  17.371   9.332
  385    HG3  GLU  68           HG3      GLU  68  -0.787  17.183   8.814
  386    H    GLU  69           HN       GLU  69  -4.407  19.031   7.721
  387    HA   GLU  69           HA       GLU  69  -5.513  17.074   9.354
  388    HB2  GLU  69           HB2      GLU  69  -5.795  19.513   9.668
  389    HB3  GLU  69           HB3      GLU  69  -6.911  19.535   8.308
  390    HG2  GLU  69           HG2      GLU  69  -8.512  18.253   9.455
  391    HG3  GLU  69           HG3      GLU  69  -7.355  17.791  10.704
  392    H    VAL  70           HN       VAL  70  -6.525  18.134   6.143
  393    HA   VAL  70           HA       VAL  70  -8.953  16.619   6.183
  394    HB   VAL  70           HB       VAL  70  -7.603  17.723   3.720
  395   HG11  VAL  70          HG11      VAL  70  -9.517  16.296   3.280
  396   HG12  VAL  70          HG12      VAL  70 -10.496  17.223   4.416
  397   HG13  VAL  70          HG13      VAL  70  -9.925  17.976   2.928
  398   HG21  VAL  70          HG23      VAL  70  -7.681  19.484   5.408
  399   HG22  VAL  70          HG21      VAL  70  -8.820  19.808   4.104
  400   HG23  VAL  70          HG22      VAL  70  -9.402  19.185   5.648
  401    H    LEU  71           HN       LEU  71  -5.690  15.873   5.565
  402    HA   LEU  71           HA       LEU  71  -6.195  13.489   3.994
  403    HG   LEU  71           HG       LEU  71  -4.257  15.830   3.535
  404    HB2  LEU  71           HB2      LEU  71  -3.721  14.398   5.497
  405    HB3  LEU  71           HB3      LEU  71  -3.797  12.993   4.450
  406   HD11  LEU  71          HD11      LEU  71  -1.939  15.441   4.265
  407   HD12  LEU  71          HD12      LEU  71  -1.844  14.066   3.161
  408   HD13  LEU  71          HD13      LEU  71  -2.064  15.695   2.526
  409   HD21  LEU  71          HD23      LEU  71  -4.057  14.866   1.294
  410   HD22  LEU  71          HD21      LEU  71  -3.927  13.257   1.999
  411   HD23  LEU  71          HD22      LEU  71  -5.420  14.180   2.174
  412    H    ARG  72           HN       ARG  72  -5.334  14.417   7.218
  413    HA   ARG  72           HA       ARG  72  -4.895  12.079   8.553
  414    HE   ARG  72           HE       ARG  72  -6.464  13.091  13.512
  415    HB2  ARG  72           HB2      ARG  72  -4.399  14.135   9.627
  416    HB3  ARG  72           HB3      ARG  72  -6.052  14.706   9.467
  417    HG2  ARG  72           HG2      ARG  72  -6.788  13.015  11.077
  418    HG3  ARG  72           HG3      ARG  72  -5.126  12.462  11.253
  419    HD2  ARG  72           HD2      ARG  72  -4.455  14.535  12.227
  420    HD3  ARG  72           HD3      ARG  72  -5.991  15.292  11.817
  421   HH11  ARG  72          HH12      ARG  72  -5.061  16.298  13.585
  422   HH12  ARG  72          HH11      ARG  72  -5.482  16.592  15.248
  423   HH21  ARG  72          HH22      ARG  72  -7.029  13.482  15.728
  424   HH22  ARG  72          HH21      ARG  72  -6.614  15.004  16.453
  425    H    GLU  73           HN       GLU  73  -7.961  13.742   8.105
  426    HA   GLU  73           HA       GLU  73  -9.567  12.261   9.832
  427    HB2  GLU  73           HB2      GLU  73 -10.218  14.433   8.883
  428    HB3  GLU  73           HB3      GLU  73 -10.358  13.709   7.288
  429    HG2  GLU  73           HG2      GLU  73 -12.179  12.274   8.131
  430    HG3  GLU  73           HG3      GLU  73 -12.054  13.072   9.694
  431    H    GLN  74           HN       GLN  74  -8.402  11.479   6.680
  432    HA   GLN  74           HA       GLN  74 -10.178   9.123   6.562
  433    HB2  GLN  74           HB2      GLN  74  -9.013  10.770   4.309
  434    HB3  GLN  74           HB3      GLN  74  -9.917   9.278   4.089
  435    HG2  GLN  74           HG2      GLN  74 -10.986  11.785   5.367
  436    HG3  GLN  74           HG3      GLN  74 -11.260  11.303   3.695
  437   HE21  GLN  74          HE21      GLN  74 -11.481   8.443   4.499
  438   HE22  GLN  74          HE22      GLN  74 -13.055   8.299   5.202
  439    H    ALA  75           HN       ALA  75  -7.323   9.803   7.551
  440    HA   ALA  75           HA       ALA  75  -5.699   8.078   5.830
  441    HB1  ALA  75           HB3      ALA  75  -3.801   9.000   7.120
  442    HB2  ALA  75           HB1      ALA  75  -4.768  10.250   6.335
  443    HB3  ALA  75           HB2      ALA  75  -4.942   9.958   8.064
  444    H    GLY  76           HN       GLY  76  -4.550   6.328   6.640
  445    HA2  GLY  76           HA1      GLY  76  -3.958   4.671   8.164
  446    HA3  GLY  76           HA2      GLY  76  -4.944   5.475   9.383
  447    H    GLY  77           HN       GLY  77  -6.912   5.349   6.805
  448    HA2  GLY  77           HA1      GLY  77  -7.602   2.521   7.012
  449    HA3  GLY  77           HA2      GLY  77  -8.843   3.698   7.449
  450    H    ASP  78           HN       ASP  78  -9.966   2.589   5.571
  451    HA   ASP  78           HA       ASP  78  -8.927   3.272   2.986
  452    HB2  ASP  78           HB2      ASP  78 -10.874   2.234   2.047
  453    HB3  ASP  78           HB3      ASP  78 -10.290   1.219   3.360
  454    H    ALA  79           HN       ALA  79  -9.277   5.039   1.848
  455    HA   ALA  79           HA       ALA  79 -11.348   6.898   2.804
  456    HB1  ALA  79           HB3      ALA  79 -10.037   8.683   1.774
  457    HB2  ALA  79           HB1      ALA  79  -9.068   7.775   2.937
  458    HB3  ALA  79           HB2      ALA  79  -8.858   7.497   1.211
  459    H    THR  80           HN       THR  80 -11.608   4.571   0.964
  460    HA   THR  80           HA       THR  80 -11.342   5.461  -1.721
  461    HB   THR  80           HB       THR  80 -11.058   3.082  -0.890
  462    HG1  THR  80           HG1      THR  80 -12.605   3.740  -3.184
  463   HG21  THR  80          HG23      THR  80 -13.165   2.937   0.378
  464   HG22  THR  80          HG21      THR  80 -13.030   1.656  -0.829
  465   HG23  THR  80          HG22      THR  80 -14.069   3.050  -1.132
  466    H    GLU  81           HN       GLU  81 -13.890   5.891   0.502
  467    HA   GLU  81           HA       GLU  81 -16.163   5.698  -1.100
  468    HB2  GLU  81           HB2      GLU  81 -16.262   6.140   1.317
  469    HB3  GLU  81           HB3      GLU  81 -15.586   7.744   1.056
  470    HG2  GLU  81           HG2      GLU  81 -17.526   8.415  -0.194
  471    HG3  GLU  81           HG3      GLU  81 -18.191   6.788  -0.107
  472    H    ASN  82           HN       ASN  82 -14.348   8.616  -0.340
  473    HA   ASN  82           HA       ASN  82 -15.505  10.396  -2.124
  474    HB2  ASN  82           HB2      ASN  82 -14.055  11.053  -0.250
  475    HB3  ASN  82           HB3      ASN  82 -12.670  10.310  -1.041
  476   HD21  ASN  82          HD21      ASN  82 -15.209  12.311  -2.490
  477   HD22  ASN  82          HD22      ASN  82 -14.145  13.587  -2.976
  478    H    PHE  83           HN       PHE  83 -13.022   8.045  -2.523
  479    HA   PHE  83           HA       PHE  83 -11.772   9.087  -4.846
  480    HD1  PHE  83           HD1      PHE  83  -9.159   8.840  -4.673
  481    HD2  PHE  83           HD2      PHE  83 -10.795   5.007  -5.525
  482    HE1  PHE  83           HE1      PHE  83  -7.343   8.425  -6.280
  483    HE2  PHE  83           HE2      PHE  83  -8.986   4.587  -7.138
  484    HZ   PHE  83           HZ       PHE  83  -7.254   6.296  -7.515
  485    HB2  PHE  83           HB2      PHE  83 -10.745   7.583  -3.095
  486    HB3  PHE  83           HB3      PHE  83 -11.677   6.262  -3.784
  487    H    GLU  84           HN       GLU  84 -14.319   6.791  -4.235
  488    HA   GLU  84           HA       GLU  84 -14.377   5.788  -6.956
  489    HB2  GLU  84           HB2      GLU  84 -16.142   5.231  -4.560
  490    HB3  GLU  84           HB3      GLU  84 -16.304   4.435  -6.120
  491    HG2  GLU  84           HG2      GLU  84 -13.996   4.255  -4.202
  492    HG3  GLU  84           HG3      GLU  84 -15.132   2.983  -4.648
  493    H    ASP  85           HN       ASP  85 -16.274   7.768  -4.808
  494    HA   ASP  85           HA       ASP  85 -18.683   7.832  -6.252
  495    HB2  ASP  85           HB2      ASP  85 -18.438   8.370  -3.822
  496    HB3  ASP  85           HB3      ASP  85 -17.652   9.876  -4.279
  497    H    VAL  86           HN       VAL  86 -15.971  10.036  -6.099
  498    HA   VAL  86           HA       VAL  86 -16.265  11.011  -8.717
  499    HB   VAL  86           HB       VAL  86 -18.204  12.212  -7.804
  500   HG11  VAL  86          HG11      VAL  86 -17.680  12.378  -5.482
  501   HG12  VAL  86          HG12      VAL  86 -16.267  13.378  -5.815
  502   HG13  VAL  86          HG13      VAL  86 -17.885  14.012  -6.117
  503   HG21  VAL  86          HG23      VAL  86 -16.909  13.271  -9.572
  504   HG22  VAL  86          HG21      VAL  86 -17.609  14.476  -8.488
  505   HG23  VAL  86          HG22      VAL  86 -15.896  14.066  -8.367
  506    H    GLY  87           HN       GLY  87 -14.129   9.962  -7.865
  507    HA2  GLY  87           HA1      GLY  87 -12.585  11.829  -6.213
  508    HA3  GLY  87           HA2      GLY  87 -12.260  10.116  -6.389
  509    H    HIS  88           HN       HIS  88 -11.347  13.160  -7.220
  510    HA   HIS  88           HA       HIS  88  -9.446  13.875  -8.193
  511    HD1  HIS  88           HD1      HIS  88  -8.622  10.088  -6.210
  512    HD2  HIS  88           HD2      HIS  88  -7.016  13.878  -6.855
  513    HE1  HIS  88           HE1      HIS  88  -7.433  10.749  -4.053
  514    HB2  HIS  88           HB2      HIS  88  -8.976  10.928  -8.593
  515    HB3  HIS  88           HB3      HIS  88  -7.825  12.153  -9.110
  516    H    SER  89           HN       SER  89  -8.109  13.034 -10.512
  517    HA   SER  89           HA       SER  89 -10.031  12.853 -12.649
  518    HG   SER  89           HG       SER  89  -7.447  15.409 -12.391
  519    HB2  SER  89           HB2      SER  89  -9.291  15.055 -13.639
  520    HB3  SER  89           HB3      SER  89 -10.270  15.194 -12.172
  521    H    THR  90           HN       THR  90  -8.589  10.954 -12.924
  522    HA   THR  90           HA       THR  90  -7.122   9.843 -14.254
  523    HB   THR  90           HB       THR  90  -6.699  12.532 -15.577
  524    HG1  THR  90           HG1      THR  90  -8.807  10.802 -15.519
  525   HG21  THR  90          HG23      THR  90  -4.961  10.898 -16.171
  526   HG22  THR  90          HG21      THR  90  -6.032  11.209 -17.536
  527   HG23  THR  90          HG22      THR  90  -6.205   9.726 -16.601
  528    H    ASP  91           HN       ASP  91  -5.377  12.985 -14.032
  529    HA   ASP  91           HA       ASP  91  -2.817  12.124 -14.047
  530    HB2  ASP  91           HB2      ASP  91  -4.164  14.450 -12.905
  531    HB3  ASP  91           HB3      ASP  91  -2.661  14.055 -12.082
  532    H    ALA  92           HN       ALA  92  -4.882  12.151 -11.189
  533    HA   ALA  92           HA       ALA  92  -2.781  11.475  -9.375
  534    HB1  ALA  92           HB3      ALA  92  -4.537  11.378  -7.696
  535    HB2  ALA  92           HB1      ALA  92  -4.693  12.823  -8.695
  536    HB3  ALA  92           HB2      ALA  92  -5.765  11.449  -8.958
  537    H    ARG  93           HN       ARG  93  -4.282   9.547 -11.603
  538    HA   ARG  93           HA       ARG  93  -4.271   7.149  -9.923
  539    HE   ARG  93           HE       ARG  93  -5.615   4.690 -13.495
  540    HB2  ARG  93           HB2      ARG  93  -5.457   6.067 -11.629
  541    HB3  ARG  93           HB3      ARG  93  -6.055   7.715 -11.739
  542    HG2  ARG  93           HG2      ARG  93  -4.572   8.138 -13.608
  543    HG3  ARG  93           HG3      ARG  93  -3.954   6.490 -13.497
  544    HD2  ARG  93           HD2      ARG  93  -6.830   7.243 -14.006
  545    HD3  ARG  93           HD3      ARG  93  -5.681   6.735 -15.234
  546   HH11  ARG  93          HH12      ARG  93  -8.218   6.270 -15.247
  547   HH12  ARG  93          HH11      ARG  93  -9.293   4.919 -15.099
  548   HH21  ARG  93          HH22      ARG  93  -6.994   2.903 -13.383
  549   HH22  ARG  93          HH21      ARG  93  -8.605   2.999 -14.029
  550    H    GLU  94           HN       GLU  94  -2.178   9.009 -11.596
  551    HA   GLU  94           HA       GLU  94  -0.328   6.811 -12.345
  552    HB2  GLU  94           HB2      GLU  94  -0.543   9.566 -13.598
  553    HB3  GLU  94           HB3      GLU  94   0.493   8.249 -14.130
  554    HG2  GLU  94           HG2      GLU  94  -2.514   8.239 -14.194
  555    HG3  GLU  94           HG3      GLU  94  -1.465   8.565 -15.570
  556    H    MET  95           HN       MET  95  -0.912   9.818 -10.835
  557    HA   MET  95           HA       MET  95   1.762  10.637 -10.327
  558    HB2  MET  95           HB2      MET  95  -0.258  12.131 -10.364
  559    HB3  MET  95           HB3      MET  95  -0.777  11.387  -8.858
  560    HG2  MET  95           HG2      MET  95   0.253  13.376  -8.217
  561    HG3  MET  95           HG3      MET  95   1.457  12.128  -7.909
  562    HE1  MET  95           HE3      MET  95   0.273  14.931 -10.353
  563    HE2  MET  95           HE1      MET  95   1.550  14.933 -11.567
  564    HE3  MET  95           HE2      MET  95   0.450  13.559 -11.448
  565    H    SER  96           HN       SER  96  -0.432   8.436  -8.842
  566    HA   SER  96           HA       SER  96   0.668   8.833  -6.187
  567    HG   SER  96           HG       SER  96  -2.756   6.830  -7.096
  568    HB2  SER  96           HB2      SER  96  -1.232   7.515  -5.422
  569    HB3  SER  96           HB3      SER  96  -1.772   8.757  -6.542
  570    H    LYS  97           HN       LYS  97   1.526   7.110  -8.731
  571    HA   LYS  97           HA       LYS  97   1.630   4.423  -8.159
  572    HB2  LYS  97           HB2      LYS  97   3.551   6.162  -9.682
  573    HB3  LYS  97           HB3      LYS  97   3.638   4.407  -9.674
  574    HG2  LYS  97           HG2      LYS  97   1.449   4.274 -10.689
  575    HG3  LYS  97           HG3      LYS  97   1.293   6.035 -10.633
  576    HD2  LYS  97           HD2      LYS  97   3.269   6.248 -12.048
  577    HD3  LYS  97           HD3      LYS  97   3.411   4.494 -12.124
  578    HE2  LYS  97           HE2      LYS  97   1.184   6.198 -13.191
  579    HE3  LYS  97           HE3      LYS  97   2.377   5.309 -14.125
  580    HZ1  LYS  97           HZ3      LYS  97   1.468   3.247 -13.257
  581    HZ2  LYS  97           HZ1      LYS  97   0.276   4.147 -14.055
  582    HZ3  LYS  97           HZ2      LYS  97   0.317   4.108 -12.368
  583    H    THR  98           HN       THR  98   3.861   6.928  -7.102
  584    HA   THR  98           HA       THR  98   5.838   4.992  -6.221
  585    HB   THR  98           HB       THR  98   7.052   7.141  -5.515
  586    HG1  THR  98           HG1      THR  98   5.853   8.784  -7.176
  587   HG21  THR  98          HG23      THR  98   6.330   6.697  -8.414
  588   HG22  THR  98          HG21      THR  98   7.677   5.967  -7.542
  589   HG23  THR  98          HG22      THR  98   7.665   7.702  -7.852
  590    H    PHE  99           HN       PHE  99   3.060   6.113  -4.945
  591    HA   PHE  99           HA       PHE  99   4.094   6.362  -2.208
  592    HD1  PHE  99           HD1      PHE  99   3.738   8.787  -1.217
  593    HD2  PHE  99           HD2      PHE  99   1.647   8.604  -4.915
  594    HE1  PHE  99           HE1      PHE  99   4.503  11.060  -1.756
  595    HE2  PHE  99           HE2      PHE  99   2.411  10.876  -5.467
  596    HZ   PHE  99           HZ       PHE  99   3.908  12.072  -3.937
  597    HB2  PHE  99           HB2      PHE  99   1.338   6.929  -3.339
  598    HB3  PHE  99           HB3      PHE  99   1.817   7.175  -1.663
  599    H    ILE 100           HN       ILE 100   2.719   4.167  -4.342
  600    HA   ILE 100           HA       ILE 100   1.099   2.671  -2.513
  601    HB   ILE 100           HB       ILE 100   2.256   1.674  -5.126
  602   HG12  ILE 100          HG12      ILE 100  -0.312   3.216  -4.706
  603   HG13  ILE 100          HG13      ILE 100   1.136   3.832  -5.498
  604   HG21  ILE 100          HG21      ILE 100  -0.234   0.923  -3.597
  605   HG22  ILE 100          HG22      ILE 100   0.246   0.262  -5.161
  606   HG23  ILE 100          HG23      ILE 100   1.242  -0.036  -3.734
  607   HD11  ILE 100          HD13      ILE 100  -0.526   3.177  -7.127
  608   HD12  ILE 100          HD11      ILE 100   0.889   2.133  -7.241
  609   HD13  ILE 100          HD12      ILE 100  -0.575   1.549  -6.449
  610    H    ILE 101           HN       ILE 101   2.294   1.880  -0.772
  611    HA   ILE 101           HA       ILE 101   4.895   0.699  -1.388
  612    HB   ILE 101           HB       ILE 101   5.203   0.642   1.114
  613   HG12  ILE 101          HG12      ILE 101   2.741   2.403   1.049
  614   HG13  ILE 101          HG13      ILE 101   2.818   0.780   1.727
  615   HG21  ILE 101          HG21      ILE 101   4.763   3.323  -0.199
  616   HG22  ILE 101          HG22      ILE 101   5.741   3.026   1.237
  617   HG23  ILE 101          HG23      ILE 101   6.218   2.335  -0.313
  618   HD11  ILE 101          HD13      ILE 101   2.917   2.543   3.431
  619   HD12  ILE 101          HD11      ILE 101   4.356   1.524   3.425
  620   HD13  ILE 101          HD12      ILE 101   4.413   3.134   2.709
  621    H    GLY 102           HN       GLY 102   1.724  -0.364  -0.864
  622    HA2  GLY 102           HA1      GLY 102   2.228  -2.907  -1.668
  623    HA3  GLY 102           HA2      GLY 102   2.516  -2.999   0.063
  624    H    GLU 103           HN       GLU 103   0.724  -4.618  -0.209
  625    HA   GLU 103           HA       GLU 103  -1.903  -3.302  -0.117
  626    HB2  GLU 103           HB2      GLU 103  -1.178  -6.201  -0.576
  627    HB3  GLU 103           HB3      GLU 103  -2.820  -5.659  -0.272
  628    HG2  GLU 103           HG2      GLU 103  -2.514  -4.121  -2.271
  629    HG3  GLU 103           HG3      GLU 103  -1.074  -5.069  -2.632
  630    H    LEU 104           HN       LEU 104  -3.338  -5.080   1.383
  631    HA   LEU 104           HA       LEU 104  -2.110  -4.687   4.015
  632    HG   LEU 104           HG       LEU 104  -5.321  -3.041   4.641
  633    HB2  LEU 104           HB2      LEU 104  -4.875  -4.734   2.998
  634    HB3  LEU 104           HB3      LEU 104  -4.634  -5.414   4.592
  635   HD11  LEU 104          HD11      LEU 104  -2.523  -3.480   5.664
  636   HD12  LEU 104          HD12      LEU 104  -3.706  -2.322   6.275
  637   HD13  LEU 104          HD13      LEU 104  -3.988  -4.055   6.457
  638   HD21  LEU 104          HD23      LEU 104  -2.655  -2.571   3.321
  639   HD22  LEU 104          HD21      LEU 104  -4.238  -2.288   2.603
  640   HD23  LEU 104          HD22      LEU 104  -3.710  -1.319   3.979
  641    H    HIS 105           HN       HIS 105  -2.893  -6.325   5.694
  642    HA   HIS 105           HA       HIS 105  -1.799  -8.833   5.128
  643    HD1  HIS 105           HD1      HIS 105  -2.355 -10.457   8.940
  644    HD2  HIS 105           HD2      HIS 105   0.147  -7.926   6.779
  645    HE1  HIS 105           HE1      HIS 105  -0.014 -11.029   9.666
  646    HE2  HIS 105           HE2      HIS 105   1.448  -9.306   8.534
  647    HB2  HIS 105           HB2      HIS 105  -2.935  -7.472   7.371
  648    HB3  HIS 105           HB3      HIS 105  -3.611  -9.094   7.304
  649    HA   PRO 106           HA       PRO 106  -4.802 -11.726   3.442
  650    HB2  PRO 106           HB2      PRO 106  -4.592 -12.913   6.195
  651    HB3  PRO 106           HB3      PRO 106  -4.606 -13.728   4.623
  652    HG2  PRO 106           HG2      PRO 106  -2.316 -13.320   5.882
  653    HG3  PRO 106           HG3      PRO 106  -2.425 -13.097   4.127
  654    HD2  PRO 106           HD2      PRO 106  -2.185 -11.073   6.274
  655    HD3  PRO 106           HD3      PRO 106  -1.673 -10.992   4.580
  656    H    ASP 107           HN       ASP 107  -5.515  -9.810   6.146
  657    HA   ASP 107           HA       ASP 107  -8.161 -10.908   6.676
  658    HB2  ASP 107           HB2      ASP 107  -6.686 -10.459   8.591
  659    HB3  ASP 107           HB3      ASP 107  -6.542  -8.780   8.099
  660    H    ASP 108           HN       ASP 108  -6.548  -8.279   5.181
  661    HA   ASP 108           HA       ASP 108  -9.104  -6.976   4.515
  662    HB2  ASP 108           HB2      ASP 108  -7.447  -5.418   5.378
  663    HB3  ASP 108           HB3      ASP 108  -6.249  -6.012   4.233
  664    H    ARG 109           HN       ARG 109  -6.162  -8.429   3.317
  665    HA   ARG 109           HA       ARG 109  -6.730  -8.108   0.530
  666    HE   ARG 109           HE       ARG 109  -3.062  -8.731  -2.360
  667    HB2  ARG 109           HB2      ARG 109  -4.470  -8.629   1.994
  668    HB3  ARG 109           HB3      ARG 109  -4.844 -10.226   1.365
  669    HG2  ARG 109           HG2      ARG 109  -5.004  -8.209  -0.701
  670    HG3  ARG 109           HG3      ARG 109  -3.427  -8.220   0.090
  671    HD2  ARG 109           HD2      ARG 109  -3.193 -10.590  -0.359
  672    HD3  ARG 109           HD3      ARG 109  -4.803 -10.641  -1.077
  673   HH11  ARG 109          HH12      ARG 109  -3.976 -12.108  -2.229
  674   HH12  ARG 109          HH11      ARG 109  -3.499 -12.453  -3.862
  675   HH21  ARG 109          HH22      ARG 109  -2.407  -9.146  -4.489
  676   HH22  ARG 109          HH21      ARG 109  -2.589 -10.738  -5.166
  677    HA   PRO 110           HA       PRO 110 -10.082 -10.335  -0.292
  678    HB2  PRO 110           HB2      PRO 110  -8.670 -12.565  -1.623
  679    HB3  PRO 110           HB3      PRO 110  -9.957 -11.514  -2.225
  680    HG2  PRO 110           HG2      PRO 110  -7.123 -11.255  -2.613
  681    HG3  PRO 110           HG3      PRO 110  -8.413 -10.217  -3.238
  682    HD2  PRO 110           HD2      PRO 110  -6.543  -9.413  -1.383
  683    HD3  PRO 110           HD3      PRO 110  -8.157  -8.685  -1.548
  684    H    LYS 111           HN       LYS 111 -10.171 -10.826   2.098
  685    HA   LYS 111           HA       LYS 111  -9.806 -13.293   3.184
  686    HB2  LYS 111           HB2      LYS 111 -12.437 -11.822   3.326
  687    HB3  LYS 111           HB3      LYS 111 -11.772 -12.925   4.521
  688    HG2  LYS 111           HG2      LYS 111  -9.936 -11.355   4.926
  689    HG3  LYS 111           HG3      LYS 111 -10.642 -10.242   3.756
  690    HD2  LYS 111           HD2      LYS 111 -11.310  -9.453   5.872
  691    HD3  LYS 111           HD3      LYS 111 -12.724 -10.273   5.209
  692    HE2  LYS 111           HE2      LYS 111 -12.585 -12.007   6.702
  693    HE3  LYS 111           HE3      LYS 111 -10.840 -11.842   6.894
  694    HZ1  LYS 111           HZ3      LYS 111 -12.238 -11.157   8.851
  695    HZ2  LYS 111           HZ1      LYS 111 -12.755  -9.827   7.934
  696    HZ3  LYS 111           HZ2      LYS 111 -11.110 -10.006   8.322
  697    H    LEU 112           HN       LEU 112 -13.008 -12.613   1.825
  698    HA   LEU 112           HA       LEU 112 -14.463 -13.826   0.580
  699    HG   LEU 112           HG       LEU 112 -14.147 -15.946  -1.507
  700    HB2  LEU 112           HB2      LEU 112 -12.673 -13.344  -1.104
  701    HB3  LEU 112           HB3      LEU 112 -11.994 -14.920  -0.761
  702   HD11  LEU 112          HD11      LEU 112 -15.640 -14.078  -1.160
  703   HD12  LEU 112          HD12      LEU 112 -14.765 -13.124  -2.360
  704   HD13  LEU 112          HD13      LEU 112 -15.666 -14.555  -2.858
  705   HD21  LEU 112          HD23      LEU 112 -12.649 -14.234  -3.475
  706   HD22  LEU 112          HD21      LEU 112 -12.270 -15.890  -3.007
  707   HD23  LEU 112          HD22      LEU 112 -13.741 -15.546  -3.914
  708    H    ASN 113           HN       ASN 113 -12.226 -16.409  -0.020
  709    HA   ASN 113           HA       ASN 113 -13.441 -18.017   2.126
  710    HB2  ASN 113           HB2      ASN 113 -12.825 -18.956  -0.691
  711    HB3  ASN 113           HB3      ASN 113 -13.312 -20.007   0.633
  712   HD21  ASN 113          HD21      ASN 113 -15.440 -19.966   1.357
  713   HD22  ASN 113          HD22      ASN 113 -16.713 -19.244   0.427
  714    H    LYS 114           HN       LYS 114 -10.777 -16.625   1.012
  715    HA   LYS 114           HA       LYS 114  -8.551 -16.830   1.096
  716    HB2  LYS 114           HB2      LYS 114  -9.124 -18.745   3.361
  717    HB3  LYS 114           HB3      LYS 114  -7.561 -18.039   2.997
  718    HG2  LYS 114           HG2      LYS 114 -10.027 -16.643   4.001
  719    HG3  LYS 114           HG3      LYS 114  -8.467 -16.812   4.801
  720    HD2  LYS 114           HD2      LYS 114  -8.997 -15.209   2.297
  721    HD3  LYS 114           HD3      LYS 114  -8.791 -14.543   3.912
  722    HE2  LYS 114           HE2      LYS 114  -6.506 -15.427   3.966
  723    HE3  LYS 114           HE3      LYS 114  -6.722 -16.073   2.343
  724    HZ1  LYS 114           HZ3      LYS 114  -7.122 -13.793   1.560
  725    HZ2  LYS 114           HZ1      LYS 114  -5.580 -13.977   2.238
  726    HZ3  LYS 114           HZ2      LYS 114  -6.805 -13.203   3.116
  727    HA   PRO 115           HA       PRO 115  -7.993 -20.613  -1.299
  728    HB2  PRO 115           HB2      PRO 115  -6.916 -19.398  -3.455
  729    HB3  PRO 115           HB3      PRO 115  -8.659 -19.494  -3.184
  730    HG2  PRO 115           HG2      PRO 115  -6.858 -17.182  -2.993
  731    HG3  PRO 115           HG3      PRO 115  -8.615 -17.226  -3.188
  732    HD2  PRO 115           HD2      PRO 115  -7.089 -16.776  -0.785
  733    HD3  PRO 115           HD3      PRO 115  -8.849 -16.761  -0.989
  734    HA   PRO 116           HA       PRO 116  -3.619 -20.883  -0.271
  735    HB2  PRO 116           HB2      PRO 116  -3.780 -23.630  -1.205
  736    HB3  PRO 116           HB3      PRO 116  -3.564 -23.036   0.441
  737    HG2  PRO 116           HG2      PRO 116  -5.831 -24.287  -0.404
  738    HG3  PRO 116           HG3      PRO 116  -5.816 -23.069   0.889
  739    HD2  PRO 116           HD2      PRO 116  -6.560 -22.756  -1.997
  740    HD3  PRO 116           HD3      PRO 116  -7.354 -22.095  -0.553
  741    H    GLU 117           HN       GLU 117  -4.567 -22.926  -3.042
  742    HA   GLU 117           HA       GLU 117  -2.499 -21.596  -4.654
  743    HB2  GLU 117           HB2      GLU 117  -2.973 -24.553  -4.313
  744    HB3  GLU 117           HB3      GLU 117  -2.041 -23.889  -5.643
  745    HG2  GLU 117           HG2      GLU 117  -1.337 -23.325  -2.785
  746    HG3  GLU 117           HG3      GLU 117  -0.767 -24.764  -3.631
  747    H    THR 118           HN       THR 118  -2.761 -22.930  -6.987
  748    HA   THR 118           HA       THR 118  -5.508 -22.337  -7.809
  749    HB   THR 118           HB       THR 118  -3.365 -23.090  -9.760
  750    HG1  THR 118           HG1      THR 118  -2.266 -21.594  -8.511
  751   HG21  THR 118          HG23      THR 118  -4.515 -21.482 -11.168
  752   HG22  THR 118          HG21      THR 118  -5.516 -20.965  -9.810
  753   HG23  THR 118          HG22      THR 118  -5.695 -22.592 -10.470
  754    H    LEU 119           HN       LEU 119  -5.451 -24.057 -10.138
  755    HA   LEU 119           HA       LEU 119  -5.334 -26.724  -8.903
  756    HG   LEU 119           HG       LEU 119  -8.995 -26.665  -9.505
  757    HB2  LEU 119           HB2      LEU 119  -7.211 -25.750 -11.062
  758    HB3  LEU 119           HB3      LEU 119  -7.059 -27.422 -10.571
  759   HD11  LEU 119          HD11      LEU 119  -6.772 -26.403  -7.496
  760   HD12  LEU 119          HD12      LEU 119  -8.478 -26.628  -7.111
  761   HD13  LEU 119          HD13      LEU 119  -7.594 -27.887  -7.973
  762   HD21  LEU 119          HD23      LEU 119  -7.484 -24.176  -8.744
  763   HD22  LEU 119          HD21      LEU 119  -8.804 -24.311  -9.908
  764   HD23  LEU 119          HD22      LEU 119  -9.111 -24.579  -8.192
  765    H    ILE 120           HN       ILE 120  -5.697 -25.631 -12.275
  766    HA   ILE 120           HA       ILE 120  -3.128 -26.944 -12.851
  767    HB   ILE 120           HB       ILE 120  -4.065 -27.486 -15.136
  768   HG12  ILE 120          HG12      ILE 120  -6.706 -26.973 -13.731
  769   HG13  ILE 120          HG13      ILE 120  -6.036 -25.994 -15.033
  770   HG21  ILE 120          HG21      ILE 120  -5.320 -28.850 -12.755
  771   HG22  ILE 120          HG22      ILE 120  -5.131 -29.537 -14.370
  772   HG23  ILE 120          HG23      ILE 120  -3.706 -29.161 -13.400
  773   HD11  ILE 120          HD13      ILE 120  -7.759 -27.494 -15.848
  774   HD12  ILE 120          HD11      ILE 120  -6.191 -27.905 -16.545
  775   HD13  ILE 120          HD12      ILE 120  -6.858 -28.881 -15.236
  776    H    THR 121           HN       THR 121  -1.830 -25.228 -13.033
  777    HA   THR 121           HA       THR 121  -2.622 -22.969 -14.684
  778    HB   THR 121           HB       THR 121  -0.198 -22.233 -13.996
  779    HG1  THR 121           HG1      THR 121   0.128 -23.220 -11.772
  780   HG21  THR 121          HG23      THR 121  -2.541 -22.359 -12.095
  781   HG22  THR 121          HG21      THR 121  -2.164 -21.075 -13.239
  782   HG23  THR 121          HG22      THR 121  -1.118 -21.348 -11.848
  783    H    THR 122           HN       THR 122   0.089 -25.265 -14.499
  784    HA   THR 122           HA       THR 122   1.028 -24.468 -17.109
  785    HB   THR 122           HB       THR 122   2.700 -26.421 -16.543
  786    HG1  THR 122           HG1      THR 122   2.632 -25.922 -13.946
  787   HG21  THR 122          HG23      THR 122   2.664 -23.790 -15.073
  788   HG22  THR 122          HG21      THR 122   3.288 -24.064 -16.699
  789   HG23  THR 122          HG22      THR 122   4.081 -24.813 -15.313
  790    H    ILE 123           HN       ILE 123  -0.693 -25.186 -18.449
  791    HA   ILE 123           HA       ILE 123  -1.124 -28.073 -18.655
  792    HB   ILE 123           HB       ILE 123  -2.366 -25.788 -20.207
  793   HG12  ILE 123          HG12      ILE 123  -3.516 -27.520 -18.009
  794   HG13  ILE 123          HG13      ILE 123  -2.990 -25.852 -17.815
  795   HG21  ILE 123          HG21      ILE 123  -2.348 -27.805 -21.547
  796   HG22  ILE 123          HG22      ILE 123  -3.038 -28.728 -20.212
  797   HG23  ILE 123          HG23      ILE 123  -3.990 -27.467 -20.994
  798   HD11  ILE 123          HD13      ILE 123  -5.239 -26.808 -19.573
  799   HD12  ILE 123          HD11      ILE 123  -5.400 -25.987 -18.016
  800   HD13  ILE 123          HD12      ILE 123  -4.708 -25.134 -19.398
  801    H    ASP 124           HN       ASP 124   0.517 -25.465 -20.192
  802    HA   ASP 124           HA       ASP 124   0.758 -26.463 -22.792
  803    HB2  ASP 124           HB2      ASP 124   2.694 -24.844 -22.932
  804    HB3  ASP 124           HB3      ASP 124   1.157 -24.158 -22.420
  805    H    SER 125           HN       SER 125   3.236 -26.509 -20.192
  806    HA   SER 125           HA       SER 125   4.193 -29.045 -21.287
  807    HG   SER 125           HG       SER 125   4.670 -27.468 -22.948
  808    HB2  SER 125           HB2      SER 125   5.957 -26.634 -20.814
  809    HB3  SER 125           HB3      SER 125   6.554 -28.261 -21.155
  810    H    SER 126           HN       SER 126   2.892 -27.770 -18.794
  811    HA   SER 126           HA       SER 126   2.678 -28.388 -16.643
  812    HG   SER 126           HG       SER 126   2.007 -30.117 -17.967
  813    HB2  SER 126           HB2      SER 126   4.605 -30.578 -17.447
  814    HB3  SER 126           HB3      SER 126   3.685 -30.541 -15.943
  815    H    SER 127           HN       SER 127   5.079 -29.761 -15.251
  816    HA   SER 127           HA       SER 127   5.546 -27.653 -13.565
  817    HG   SER 127           HG       SER 127   7.753 -30.350 -14.744
  818    HB2  SER 127           HB2      SER 127   7.561 -29.138 -12.829
  819    HB3  SER 127           HB3      SER 127   5.916 -29.741 -12.650
  820    H    SER 128           HN       SER 128   6.619 -25.869 -13.703
  821    HA   SER 128           HA       SER 128   9.404 -25.836 -14.187
  822    HG   SER 128           HG       SER 128  10.311 -24.090 -15.403
  823    HB2  SER 128           HB2      SER 128   8.386 -25.684 -16.558
  824    HB3  SER 128           HB3      SER 128   7.806 -24.092 -16.076
  825    HHA  HEM 129           HHA      HEM 129  -6.362  17.430  -6.158
  826    HHB  HEM 129           HHB      HEM 129  -2.048  12.624  -6.065
  827    HHC  HEM 129           HHC      HEM 129  -4.993  10.127  -0.961
  828    HHD  HEM 129           HHD      HEM 129  -9.500  14.747  -1.213
  829    HAB  HEM 129           HAB      HEM 129  -2.277   9.431  -0.991
  830    HAC  HEM 129           HAC      HEM 129 -10.365  13.022   0.064
  831   HMA1  HEM 129          HMA1      HEM 129  -2.088  15.549  -8.642
  832   HMA2  HEM 129          HMA2      HEM 129  -1.163  14.851  -7.310
  833   HMA3  HEM 129          HMA3      HEM 129  -2.136  13.815  -8.360
  834   HAA1  HEM 129          HAA1      HEM 129  -3.697  17.909  -7.870
  835   HAA2  HEM 129          HAA2      HEM 129  -3.620  16.624  -8.629
  836   HBA1  HEM 129          HBA1      HEM 129  -5.376  17.980  -9.643
  837   HBA2  HEM 129          HBA2      HEM 129  -6.320  16.692  -8.866
  838   HMB1  HEM 129          HMB1      HEM 129  -0.119  11.073  -3.923
  839   HMB2  HEM 129          HMB2      HEM 129  -0.980  10.065  -5.261
  840   HMB3  HEM 129          HMB3      HEM 129  -0.965   9.853  -3.750
  841   HBB1  HEM 129          HBB1      HEM 129  -2.911   7.919  -3.559
  842   HBB2  HEM 129          HBB2      HEM 129  -2.498   7.222  -1.871
  843   HMC1  HEM 129          HMC1      HEM 129  -7.855   9.577   0.509
  844   HMC2  HEM 129          HMC2      HEM 129  -6.121   9.904   0.650
  845   HMC3  HEM 129          HMC3      HEM 129  -7.314  10.715   1.725
  846   HBC1  HEM 129          HBC1      HEM 129 -10.625  11.992   2.180
  847   HBC2  HEM 129          HBC2      HEM 129  -8.845  11.486   2.224
  848   HMD1  HEM 129          HMD1      HEM 129 -10.372  16.762  -1.463
  849   HMD2  HEM 129          HMD2      HEM 129 -10.688  17.974  -2.854
  850   HMD3  HEM 129          HMD3      HEM 129  -9.438  17.823  -2.015
  851   HAD1  HEM 129          HAD1      HEM 129  -8.887  19.079  -4.990
  852   HAD2  HEM 129          HAD2      HEM 129  -7.964  18.192  -5.739
  853   HBD1  HEM 129          HBD1      HEM 129  -8.932  16.869  -7.118
  854   HBD2  HEM 129          HBD2      HEM 129  -9.247  18.603  -7.383
  Start of MODEL   19
    1    HA   MET  21           HA       MET  21   0.878 -23.252   5.234
    2    H1   MET  21           1H       MET  21   3.409 -24.045   4.021
    3    HB2  MET  21           HB2      MET  21   2.862 -21.713   3.563
    4    HB3  MET  21           HB3      MET  21   1.294 -21.059   4.013
    5    HG2  MET  21           HG2      MET  21   3.491 -21.904   5.892
    6    HG3  MET  21           HG3      MET  21   3.005 -20.252   5.513
    7    HE1  MET  21           HE3      MET  21   0.623 -19.216   6.207
    8    HE2  MET  21           HE1      MET  21  -0.136 -20.566   5.362
    9    HE3  MET  21           HE2      MET  21  -0.632 -20.163   7.006
   10    H    ALA  22           HN       ALA  22  -0.790 -22.257   3.911
   11    HA   ALA  22           HA       ALA  22  -1.052 -23.582   1.296
   12    HB1  ALA  22           HB3      ALA  22  -2.612 -24.522   2.938
   13    HB2  ALA  22           HB1      ALA  22  -3.256 -22.911   3.254
   14    HB3  ALA  22           HB2      ALA  22  -3.471 -23.653   1.668
   15    H    GLU  23           HN       GLU  23  -0.041 -21.714   0.378
   16    HA   GLU  23           HA       GLU  23  -1.239 -19.132   0.909
   17    HB2  GLU  23           HB2      GLU  23   1.149 -19.793  -0.813
   18    HB3  GLU  23           HB3      GLU  23   0.686 -18.206  -0.207
   19    HG2  GLU  23           HG2      GLU  23   1.539 -20.555   1.473
   20    HG3  GLU  23           HG3      GLU  23   2.517 -19.140   1.089
   21    H    GLN  24           HN       GLN  24  -2.349 -17.916  -0.504
   22    HA   GLN  24           HA       GLN  24  -3.767 -19.289  -2.510
   23    HB2  GLN  24           HB2      GLN  24  -4.498 -17.276  -1.099
   24    HB3  GLN  24           HB3      GLN  24  -3.630 -16.290  -2.272
   25    HG2  GLN  24           HG2      GLN  24  -5.018 -17.283  -4.066
   26    HG3  GLN  24           HG3      GLN  24  -5.934 -18.145  -2.834
   27   HE21  GLN  24          HE21      GLN  24  -4.739 -14.880  -2.470
   28   HE22  GLN  24          HE22      GLN  24  -6.283 -14.102  -2.504
   29    H    SER  25           HN       SER  25  -1.362 -16.681  -2.757
   30    HA   SER  25           HA       SER  25  -1.486 -16.919  -5.670
   31    HG   SER  25           HG       SER  25   0.419 -14.694  -3.486
   32    HB2  SER  25           HB2      SER  25  -0.431 -14.620  -5.594
   33    HB3  SER  25           HB3      SER  25  -2.047 -14.732  -4.899
   34    H    ASP  26           HN       ASP  26   0.761 -15.696  -6.433
   35    HA   ASP  26           HA       ASP  26   2.503 -17.851  -6.671
   36    HB2  ASP  26           HB2      ASP  26   4.049 -16.118  -7.716
   37    HB3  ASP  26           HB3      ASP  26   2.448 -16.288  -8.431
   38    H    GLU  27           HN       GLU  27   3.677 -14.711  -5.402
   39    HA   GLU  27           HA       GLU  27   5.110 -16.205  -3.321
   40    HB2  GLU  27           HB2      GLU  27   6.649 -15.919  -5.213
   41    HB3  GLU  27           HB3      GLU  27   6.343 -14.191  -5.220
   42    HG2  GLU  27           HG2      GLU  27   8.487 -14.698  -4.223
   43    HG3  GLU  27           HG3      GLU  27   7.398 -13.981  -3.039
   44    H    ALA  28           HN       ALA  28   5.982 -14.779  -1.621
   45    HA   ALA  28           HA       ALA  28   3.996 -13.164  -0.530
   46    HB1  ALA  28           HB3      ALA  28   5.820 -14.293   0.712
   47    HB2  ALA  28           HB1      ALA  28   6.929 -13.057   0.120
   48    HB3  ALA  28           HB2      ALA  28   5.587 -12.606   1.172
   49    H    VAL  29           HN       VAL  29   3.274 -11.328  -1.324
   50    HA   VAL  29           HA       VAL  29   5.104  -9.314  -2.348
   51    HB   VAL  29           HB       VAL  29   2.455  -9.888  -2.910
   52   HG11  VAL  29          HG11      VAL  29   1.159  -7.917  -2.267
   53   HG12  VAL  29          HG12      VAL  29   1.643  -8.873  -0.866
   54   HG13  VAL  29          HG13      VAL  29   2.497  -7.378  -1.253
   55   HG21  VAL  29          HG23      VAL  29   3.977  -7.334  -3.404
   56   HG22  VAL  29          HG21      VAL  29   4.009  -8.788  -4.400
   57   HG23  VAL  29          HG22      VAL  29   2.529  -7.836  -4.277
   58    H    LYS  30           HN       LYS  30   5.220  -7.184  -1.236
   59    HA   LYS  30           HA       LYS  30   5.541  -7.662   1.561
   60    HB2  LYS  30           HB2      LYS  30   5.923  -5.099  -0.003
   61    HB3  LYS  30           HB3      LYS  30   6.388  -5.344   1.680
   62    HG2  LYS  30           HG2      LYS  30   7.909  -7.103   1.033
   63    HG3  LYS  30           HG3      LYS  30   7.415  -6.930  -0.648
   64    HD2  LYS  30           HD2      LYS  30   8.389  -4.728  -0.762
   65    HD3  LYS  30           HD3      LYS  30   8.729  -4.751   0.970
   66    HE2  LYS  30           HE2      LYS  30  10.700  -5.248  -0.494
   67    HE3  LYS  30           HE3      LYS  30  10.342  -6.484   0.713
   68    HZ1  LYS  30           HZ3      LYS  30   9.506  -6.608  -2.139
   69    HZ2  LYS  30           HZ1      LYS  30   9.290  -7.822  -0.976
   70    HZ3  LYS  30           HZ2      LYS  30  10.854  -7.413  -1.494
   71    H    TYR  31           HN       TYR  31   4.186  -7.347   3.132
   72    HA   TYR  31           HA       TYR  31   1.649  -6.042   2.441
   73    HD1  TYR  31           HD2      TYR  31   0.128  -7.740   1.466
   74    HD2  TYR  31           HD1      TYR  31   2.591 -10.244   3.849
   75    HE1  TYR  31           HE2      TYR  31  -0.125  -9.548  -0.178
   76    HE2  TYR  31           HE1      TYR  31   2.353 -12.056   2.211
   77    HH   TYR  31           HH       TYR  31   0.787 -12.748   0.441
   78    HB2  TYR  31           HB2      TYR  31   2.165  -8.107   4.579
   79    HB3  TYR  31           HB3      TYR  31   0.608  -7.440   4.121
   80    H    TYR  32           HN       TYR  32   0.456  -5.148   4.310
   81    HA   TYR  32           HA       TYR  32   2.001  -4.527   6.715
   82    HD1  TYR  32           HD1      TYR  32   3.165  -1.885   7.425
   83    HD2  TYR  32           HD2      TYR  32   2.145  -2.407   3.333
   84    HE1  TYR  32           HE1      TYR  32   5.346  -0.971   6.775
   85    HE2  TYR  32           HE2      TYR  32   4.334  -1.487   2.666
   86    HH   TYR  32           HH       TYR  32   6.857  -0.940   4.961
   87    HB2  TYR  32           HB2      TYR  32   0.446  -2.544   5.041
   88    HB3  TYR  32           HB3      TYR  32   0.827  -2.252   6.734
   89    H    THR  33           HN       THR  33   0.571  -4.398   8.618
   90    HA   THR  33           HA       THR  33  -1.830  -5.961   8.158
   91    HB   THR  33           HB       THR  33  -2.146  -5.842  10.635
   92    HG1  THR  33           HG1      THR  33   0.224  -4.283  10.432
   93   HG21  THR  33          HG23      THR  33  -0.921  -7.712   9.645
   94   HG22  THR  33          HG21      THR  33  -0.282  -7.288  11.230
   95   HG23  THR  33          HG22      THR  33   0.585  -6.802   9.774
   96    H    LEU  34           HN       LEU  34  -3.946  -5.301   8.467
   97    HA   LEU  34           HA       LEU  34  -4.672  -2.642   7.946
   98    HG   LEU  34           HG       LEU  34  -7.333  -2.507   9.514
   99    HB2  LEU  34           HB2      LEU  34  -6.166  -4.603   7.680
  100    HB3  LEU  34           HB3      LEU  34  -6.263  -4.738   9.425
  101   HD11  LEU  34          HD11      LEU  34  -7.277  -2.740   6.506
  102   HD12  LEU  34          HD12      LEU  34  -8.205  -1.549   7.417
  103   HD13  LEU  34          HD13      LEU  34  -6.442  -1.531   7.484
  104   HD21  LEU  34          HD23      LEU  34  -8.692  -4.507   7.716
  105   HD22  LEU  34          HD21      LEU  34  -8.641  -4.577   9.478
  106   HD23  LEU  34          HD22      LEU  34  -9.488  -3.257   8.670
  107    H    GLU  35           HN       GLU  35  -4.281  -4.454  10.849
  108    HA   GLU  35           HA       GLU  35  -5.461  -2.964  12.803
  109    HB2  GLU  35           HB2      GLU  35  -2.896  -4.558  12.990
  110    HB3  GLU  35           HB3      GLU  35  -3.917  -4.098  14.345
  111    HG2  GLU  35           HG2      GLU  35  -4.907  -5.778  12.064
  112    HG3  GLU  35           HG3      GLU  35  -4.156  -6.456  13.506
  113    H    GLU  36           HN       GLU  36  -2.256  -2.581  11.420
  114    HA   GLU  36           HA       GLU  36  -1.385  -0.803  13.504
  115    HB2  GLU  36           HB2      GLU  36   0.748  -0.868  12.388
  116    HB3  GLU  36           HB3      GLU  36   0.081  -2.494  12.435
  117    HG2  GLU  36           HG2      GLU  36  -0.628  -2.279  10.108
  118    HG3  GLU  36           HG3      GLU  36   0.044  -0.649  10.055
  119    H    ILE  37           HN       ILE  37  -2.742  -0.543  10.372
  120    HA   ILE  37           HA       ILE  37  -1.661   1.966   9.609
  121    HB   ILE  37           HB       ILE  37  -4.145   0.560   8.604
  122   HG12  ILE  37          HG12      ILE  37  -1.346   0.595   7.461
  123   HG13  ILE  37          HG13      ILE  37  -2.021  -0.734   8.397
  124   HG21  ILE  37          HG21      ILE  37  -4.160   2.923   8.015
  125   HG22  ILE  37          HG22      ILE  37  -2.532   2.780   7.352
  126   HG23  ILE  37          HG23      ILE  37  -3.873   1.925   6.590
  127   HD11  ILE  37          HD13      ILE  37  -3.759  -1.027   6.686
  128   HD12  ILE  37          HD11      ILE  37  -3.027   0.267   5.739
  129   HD13  ILE  37          HD12      ILE  37  -2.133  -1.225   6.033
  130    H    GLN  38           HN       GLN  38  -4.390   0.980  11.510
  131    HA   GLN  38           HA       GLN  38  -5.822   3.395  11.582
  132    HB2  GLN  38           HB2      GLN  38  -5.549   1.041  13.419
  133    HB3  GLN  38           HB3      GLN  38  -6.421   2.465  13.968
  134    HG2  GLN  38           HG2      GLN  38  -7.074   1.068  11.393
  135    HG3  GLN  38           HG3      GLN  38  -7.789   0.605  12.937
  136   HE21  GLN  38          HE21      GLN  38  -7.516   3.212  10.578
  137   HE22  GLN  38          HE22      GLN  38  -8.933   4.065  11.100
  138    H    LYS  39           HN       LYS  39  -3.098   2.185  13.366
  139    HA   LYS  39           HA       LYS  39  -3.014   4.314  15.294
  140    HB2  LYS  39           HB2      LYS  39  -2.278   1.845  15.520
  141    HB3  LYS  39           HB3      LYS  39  -0.812   2.347  14.694
  142    HG2  LYS  39           HG2      LYS  39  -0.181   3.766  16.464
  143    HG3  LYS  39           HG3      LYS  39  -1.786   3.674  17.199
  144    HD2  LYS  39           HD2      LYS  39  -0.190   2.277  18.412
  145    HD3  LYS  39           HD3      LYS  39  -1.448   1.296  17.654
  146    HE2  LYS  39           HE2      LYS  39   0.172   0.970  15.728
  147    HE3  LYS  39           HE3      LYS  39   1.400   1.679  16.777
  148    HZ1  LYS  39           HZ3      LYS  39   0.832  -0.074  18.422
  149    HZ2  LYS  39           HZ1      LYS  39   1.523  -0.659  16.987
  150    HZ3  LYS  39           HZ2      LYS  39  -0.143  -0.801  17.243
  151    H    HIS  40           HN       HIS  40  -2.165   4.040  12.116
  152    HA   HIS  40           HA       HIS  40   0.201   5.748  12.273
  153    HD1  HIS  40           HD1      HIS  40   0.408   1.718  10.111
  154    HD2  HIS  40           HD2      HIS  40   2.311   4.621  12.375
  155    HE1  HIS  40           HE1      HIS  40   2.359   0.560  11.184
  156    HE2  HIS  40           HE2      HIS  40   3.660   2.426  12.263
  157    HB2  HIS  40           HB2      HIS  40  -0.891   3.869  10.183
  158    HB3  HIS  40           HB3      HIS  40   0.345   5.050   9.799
  159    H    ASN  41           HN       ASN  41  -2.717   6.516  12.496
  160    HA   ASN  41           HA       ASN  41  -3.504   7.767  10.030
  161    HB2  ASN  41           HB2      ASN  41  -5.452   8.534  11.309
  162    HB3  ASN  41           HB3      ASN  41  -5.155   6.822  11.572
  163   HD21  ASN  41          HD21      ASN  41  -6.242   6.742  13.513
  164   HD22  ASN  41          HD22      ASN  41  -5.641   7.474  14.965
  165    H    HIS  42           HN       HIS  42  -0.989   8.698  11.599
  166    HA   HIS  42           HA       HIS  42  -1.756  11.501  11.968
  167    HD1  HIS  42           HD1      HIS  42   1.688   9.884  13.062
  168    HD2  HIS  42           HD2      HIS  42  -1.010   8.624  15.955
  169    HE1  HIS  42           HE1      HIS  42   2.903   8.130  14.387
  170    HE2  HIS  42           HE2      HIS  42   1.335   7.573  16.275
  171    HB2  HIS  42           HB2      HIS  42  -0.626  11.617  14.132
  172    HB3  HIS  42           HB3      HIS  42  -1.932  10.445  14.169
  173    H    SER  43           HN       SER  43  -0.032  12.968  12.156
  174    HA   SER  43           HA       SER  43   1.677  13.566  10.406
  175    HG   SER  43           HG       SER  43   2.439  14.067  14.358
  176    HB2  SER  43           HB2      SER  43   3.347  14.279  12.247
  177    HB3  SER  43           HB3      SER  43   1.692  14.890  12.318
  178    H    LYS  44           HN       LYS  44   3.166  11.573  12.928
  179    HA   LYS  44           HA       LYS  44   5.646  11.253  11.828
  180    HB2  LYS  44           HB2      LYS  44   4.134   9.280  13.526
  181    HB3  LYS  44           HB3      LYS  44   5.873   9.282  13.285
  182    HG2  LYS  44           HG2      LYS  44   5.955  11.547  14.297
  183    HG3  LYS  44           HG3      LYS  44   4.231  11.397  14.652
  184    HD2  LYS  44           HD2      LYS  44   5.403  10.765  16.624
  185    HD3  LYS  44           HD3      LYS  44   4.774   9.283  15.897
  186    HE2  LYS  44           HE2      LYS  44   6.968   8.730  16.469
  187    HE3  LYS  44           HE3      LYS  44   7.059   9.114  14.750
  188    HZ1  LYS  44           HZ3      LYS  44   7.930  10.782  17.034
  189    HZ2  LYS  44           HZ1      LYS  44   7.715  11.418  15.475
  190    HZ3  LYS  44           HZ2      LYS  44   8.855  10.198  15.739
  191    H    SER  45           HN       SER  45   2.795   9.586  10.772
  192    HA   SER  45           HA       SER  45   4.267   7.815   9.025
  193    HG   SER  45           HG       SER  45   4.414   5.519   9.339
  194    HB2  SER  45           HB2      SER  45   4.394   6.775  11.340
  195    HB3  SER  45           HB3      SER  45   2.640   6.610  11.279
  196    H    THR  46           HN       THR  46   2.338   9.802   8.624
  197    HA   THR  46           HA       THR  46  -0.347   9.023   8.735
  198    HB   THR  46           HB       THR  46   0.681  10.977   6.687
  199    HG1  THR  46           HG1      THR  46   0.967  12.479   8.254
  200   HG21  THR  46          HG23      THR  46  -1.718  10.531   6.684
  201   HG22  THR  46          HG21      THR  46  -1.404  12.166   7.259
  202   HG23  THR  46          HG22      THR  46  -1.805  10.889   8.409
  203    H    TRP  47           HN       TRP  47  -0.480   6.934   7.870
  204    HA   TRP  47           HA       TRP  47  -0.132   6.649   4.987
  205    HD1  TRP  47           HD1      TRP  47   2.050   6.361   5.663
  206    HE1  TRP  47           HE1      TRP  47   4.197   5.086   6.291
  207    HE3  TRP  47           HE3      TRP  47  -0.065   2.032   7.331
  208    HZ2  TRP  47           HZ2      TRP  47   4.892   2.545   7.337
  209    HZ3  TRP  47           HZ3      TRP  47   1.407   0.219   8.105
  210    HH2  TRP  47           HH2      TRP  47   3.833   0.479   8.105
  211    HB2  TRP  47           HB2      TRP  47  -0.912   4.611   7.085
  212    HB3  TRP  47           HB3      TRP  47  -0.765   4.268   5.369
  213    H    LEU  48           HN       LEU  48  -1.887   5.409   3.842
  214    HA   LEU  48           HA       LEU  48  -4.525   5.514   4.955
  215    HG   LEU  48           HG       LEU  48  -3.905   6.336   1.388
  216    HB2  LEU  48           HB2      LEU  48  -5.581   6.823   3.247
  217    HB3  LEU  48           HB3      LEU  48  -4.325   7.788   3.993
  218   HD11  LEU  48          HD11      LEU  48  -4.367   8.474   0.280
  219   HD12  LEU  48          HD12      LEU  48  -5.792   7.833   1.100
  220   HD13  LEU  48          HD13      LEU  48  -4.877   9.155   1.825
  221   HD21  LEU  48          HD23      LEU  48  -1.899   7.072   2.614
  222   HD22  LEU  48          HD21      LEU  48  -2.108   7.916   1.082
  223   HD23  LEU  48          HD22      LEU  48  -2.513   8.728   2.593
  224    H    ILE  49           HN       ILE  49  -6.106   4.743   3.159
  225    HA   ILE  49           HA       ILE  49  -4.786   2.841   1.342
  226    HB   ILE  49           HB       ILE  49  -7.274   2.247   2.982
  227   HG12  ILE  49          HG12      ILE  49  -4.487   1.083   3.272
  228   HG13  ILE  49          HG13      ILE  49  -5.219   2.246   4.369
  229   HG21  ILE  49          HG21      ILE  49  -7.264   1.178   0.792
  230   HG22  ILE  49          HG22      ILE  49  -5.678   0.484   1.129
  231   HG23  ILE  49          HG23      ILE  49  -7.077  -0.011   2.081
  232   HD11  ILE  49          HD13      ILE  49  -5.284  -0.045   5.229
  233   HD12  ILE  49          HD11      ILE  49  -6.895   0.640   5.015
  234   HD13  ILE  49          HD12      ILE  49  -6.269  -0.524   3.848
  235    H    LEU  50           HN       LEU  50  -5.954   2.554  -0.652
  236    HA   LEU  50           HA       LEU  50  -8.338   4.254  -0.931
  237    HG   LEU  50           HG       LEU  50  -5.864   5.834  -1.261
  238    HB2  LEU  50           HB2      LEU  50  -6.043   3.938  -2.837
  239    HB3  LEU  50           HB3      LEU  50  -7.608   4.533  -3.358
  240   HD11  LEU  50          HD11      LEU  50  -6.478   6.674  -4.088
  241   HD12  LEU  50          HD12      LEU  50  -5.504   7.565  -2.918
  242   HD13  LEU  50          HD13      LEU  50  -4.947   6.005  -3.527
  243   HD21  LEU  50          HD23      LEU  50  -8.243   6.188  -0.855
  244   HD22  LEU  50          HD21      LEU  50  -7.475   7.676  -1.411
  245   HD23  LEU  50          HD22      LEU  50  -8.459   6.721  -2.522
  246    H    HIS  51           HN       HIS  51  -6.792   1.284  -1.597
  247    HA   HIS  51           HA       HIS  51  -9.073  -0.180  -2.047
  248    HD1  HIS  51           HD1      HIS  51  -7.232  -0.826  -6.244
  249    HD2  HIS  51           HD2      HIS  51  -7.228   2.919  -4.443
  250    HE1  HIS  51           HE1      HIS  51  -5.535   0.531  -7.509
  251    HE2  HIS  51           HE2      HIS  51  -5.647   2.831  -6.485
  252    HB2  HIS  51           HB2      HIS  51  -8.940  -0.657  -4.499
  253    HB3  HIS  51           HB3      HIS  51  -9.471   0.970  -4.110
  254    H    HIS  52           HN       HIS  52  -7.692  -1.388  -0.577
  255    HA   HIS  52           HA       HIS  52  -6.403  -3.206  -0.094
  256    HD1  HIS  52           HD1      HIS  52  -7.484  -6.420  -0.906
  257    HD2  HIS  52           HD2      HIS  52  -9.468  -3.133  -2.480
  258    HE1  HIS  52           HE1      HIS  52  -9.927  -7.008  -0.829
  259    HE2  HIS  52           HE2      HIS  52 -11.093  -4.888  -1.501
  260    HB2  HIS  52           HB2      HIS  52  -6.604  -3.628  -3.075
  261    HB3  HIS  52           HB3      HIS  52  -5.911  -4.781  -1.953
  262    H    LYS  53           HN       LYS  53  -5.156  -0.593  -0.884
  263    HA   LYS  53           HA       LYS  53  -2.445  -1.652  -0.787
  264    HB2  LYS  53           HB2      LYS  53  -3.287   0.494  -2.746
  265    HB3  LYS  53           HB3      LYS  53  -1.635   0.333  -2.181
  266    HG2  LYS  53           HG2      LYS  53  -1.461  -0.875  -4.082
  267    HG3  LYS  53           HG3      LYS  53  -2.004  -2.161  -3.002
  268    HD2  LYS  53           HD2      LYS  53  -4.278  -1.892  -3.744
  269    HD3  LYS  53           HD3      LYS  53  -3.826  -0.498  -4.727
  270    HE2  LYS  53           HE2      LYS  53  -4.094  -2.578  -6.045
  271    HE3  LYS  53           HE3      LYS  53  -2.481  -1.877  -6.167
  272    HZ1  LYS  53           HZ3      LYS  53  -3.262  -4.170  -4.459
  273    HZ2  LYS  53           HZ1      LYS  53  -1.712  -3.477  -4.509
  274    HZ3  LYS  53           HZ2      LYS  53  -2.347  -4.245  -5.881
  275    H    VAL  54           HN       VAL  54  -1.144  -0.539   0.567
  276    HA   VAL  54           HA       VAL  54  -2.382   1.675   2.044
  277    HB   VAL  54           HB       VAL  54  -1.495  -0.233   3.325
  278   HG11  VAL  54          HG11      VAL  54   0.960  -0.533   3.536
  279   HG12  VAL  54          HG12      VAL  54   0.281  -1.010   1.981
  280   HG13  VAL  54          HG13      VAL  54   1.151   0.516   2.129
  281   HG21  VAL  54          HG23      VAL  54  -0.249   1.010   4.984
  282   HG22  VAL  54          HG21      VAL  54   0.092   2.284   3.811
  283   HG23  VAL  54          HG22      VAL  54  -1.564   1.993   4.347
  284    H    TYR  55           HN       TYR  55  -1.563   3.726   1.960
  285    HA   TYR  55           HA       TYR  55   0.748   4.127   0.169
  286    HD1  TYR  55           HD2      TYR  55  -2.829   3.621  -0.223
  287    HD2  TYR  55           HD1      TYR  55  -0.261   5.963  -2.669
  288    HE1  TYR  55           HE2      TYR  55  -3.822   2.604  -2.222
  289    HE2  TYR  55           HE1      TYR  55  -1.260   4.957  -4.687
  290    HH   TYR  55           HH       TYR  55  -2.454   2.918  -5.325
  291    HB2  TYR  55           HB2      TYR  55  -1.698   5.863   0.541
  292    HB3  TYR  55           HB3      TYR  55  -0.279   6.344  -0.378
  293    H    ASP  56           HN       ASP  56   1.879   6.246   0.590
  294    HA   ASP  56           HA       ASP  56   1.795   6.977   3.441
  295    HB2  ASP  56           HB2      ASP  56   3.867   5.878   3.280
  296    HB3  ASP  56           HB3      ASP  56   4.160   6.465   1.650
  297    H    LEU  57           HN       LEU  57   1.644   9.186   3.838
  298    HA   LEU  57           HA       LEU  57   2.311  10.913   1.538
  299    HG   LEU  57           HG       LEU  57  -0.710   9.842   2.436
  300    HB2  LEU  57           HB2      LEU  57   0.344  11.724   3.645
  301    HB3  LEU  57           HB3      LEU  57   0.678  12.497   2.123
  302   HD11  LEU  57          HD11      LEU  57  -1.778  12.567   1.684
  303   HD12  LEU  57          HD12      LEU  57  -2.692  11.059   1.651
  304   HD13  LEU  57          HD13      LEU  57  -2.105  11.699   3.185
  305   HD21  LEU  57          HD23      LEU  57  -0.126  11.536   0.016
  306   HD22  LEU  57          HD21      LEU  57   0.617   9.985   0.408
  307   HD23  LEU  57          HD22      LEU  57  -1.105  10.067   0.029
  308    H    THR  58           HN       THR  58   3.748   9.978   4.199
  309    HA   THR  58           HA       THR  58   3.749  11.872   6.166
  310    HB   THR  58           HB       THR  58   6.271  11.367   6.436
  311    HG1  THR  58           HG1      THR  58   5.694   9.273   4.592
  312   HG21  THR  58          HG23      THR  58   5.818   9.047   7.247
  313   HG22  THR  58          HG21      THR  58   4.216   9.142   6.518
  314   HG23  THR  58          HG22      THR  58   4.654  10.235   7.832
  315    H    LYS  59           HN       LYS  59   5.808  11.962   3.334
  316    HA   LYS  59           HA       LYS  59   6.905  14.566   3.935
  317    HB2  LYS  59           HB2      LYS  59   8.218  14.120   1.875
  318    HB3  LYS  59           HB3      LYS  59   8.295  12.788   3.024
  319    HG2  LYS  59           HG2      LYS  59   6.395  11.734   1.682
  320    HG3  LYS  59           HG3      LYS  59   6.774  12.928   0.442
  321    HD2  LYS  59           HD2      LYS  59   7.928  10.823   0.012
  322    HD3  LYS  59           HD3      LYS  59   9.071  12.119   0.368
  323    HE2  LYS  59           HE2      LYS  59   9.730  10.085   1.510
  324    HE3  LYS  59           HE3      LYS  59   9.261  11.320   2.675
  325    HZ1  LYS  59           HZ3      LYS  59   7.444   9.148   1.771
  326    HZ2  LYS  59           HZ1      LYS  59   7.196  10.226   3.052
  327    HZ3  LYS  59           HZ2      LYS  59   8.401   9.051   3.158
  328    H    PHE  60           HN       PHE  60   4.185  13.402   2.404
  329    HA   PHE  60           HA       PHE  60   4.133  15.201   0.131
  330    HD1  PHE  60           HD2      PHE  60   3.906  14.921  -1.779
  331    HD2  PHE  60           HD1      PHE  60   0.358  12.868  -0.670
  332    HE1  PHE  60           HE2      PHE  60   2.933  15.437  -3.972
  333    HE2  PHE  60           HE1      PHE  60  -0.629  13.366  -2.860
  334    HZ   PHE  60           HZ       PHE  60   0.729  14.630  -4.556
  335    HB2  PHE  60           HB2      PHE  60   3.444  12.711   0.155
  336    HB3  PHE  60           HB3      PHE  60   1.968  13.288   0.921
  337    H    LEU  61           HN       LEU  61   3.114  15.255   3.288
  338    HA   LEU  61           HA       LEU  61   0.480  16.084   3.297
  339    HG   LEU  61           HG       LEU  61   2.259  14.377   5.116
  340    HB2  LEU  61           HB2      LEU  61   2.711  16.806   5.193
  341    HB3  LEU  61           HB3      LEU  61   1.013  17.105   5.517
  342   HD11  LEU  61          HD11      LEU  61   1.795  14.057   7.508
  343   HD12  LEU  61          HD12      LEU  61   2.946  15.362   7.232
  344   HD13  LEU  61          HD13      LEU  61   1.267  15.734   7.625
  345   HD21  LEU  61          HD23      LEU  61   0.105  13.508   5.837
  346   HD22  LEU  61          HD21      LEU  61  -0.538  15.147   5.929
  347   HD23  LEU  61          HD22      LEU  61  -0.069  14.469   4.369
  348    H    GLU  62           HN       GLU  62   3.311  17.955   2.533
  349    HA   GLU  62           HA       GLU  62   1.803  20.467   2.770
  350    HB2  GLU  62           HB2      GLU  62   4.053  21.525   2.793
  351    HB3  GLU  62           HB3      GLU  62   3.802  20.388   4.110
  352    HG2  GLU  62           HG2      GLU  62   5.054  18.685   2.840
  353    HG3  GLU  62           HG3      GLU  62   5.367  19.890   1.589
  354    H    GLU  63           HN       GLU  63   2.519  18.269   0.508
  355    HA   GLU  63           HA       GLU  63   3.061  20.196  -1.658
  356    HB2  GLU  63           HB2      GLU  63   3.706  17.286  -1.285
  357    HB3  GLU  63           HB3      GLU  63   3.692  18.002  -2.889
  358    HG2  GLU  63           HG2      GLU  63   5.378  18.993  -0.599
  359    HG3  GLU  63           HG3      GLU  63   5.933  17.873  -1.843
  360    H    HIS  64           HN       HIS  64   0.857  17.876  -0.392
  361    HA   HIS  64           HA       HIS  64  -0.778  17.912  -2.777
  362    HD1  HIS  64           HD1      HIS  64  -3.648  16.685   0.171
  363    HD2  HIS  64           HD2      HIS  64  -2.494  14.924  -3.471
  364    HE1  HIS  64           HE1      HIS  64  -5.722  15.555  -0.800
  365    HB2  HIS  64           HB3      HIS  64  -0.500  15.752  -1.711
  366    HB3  HIS  64           HB2      HIS  64  -1.017  16.375  -0.176
  367    HA   PRO  65           HA       PRO  65  -3.263  21.187  -1.047
  368    HB2  PRO  65           HB2      PRO  65  -5.693  20.596  -2.212
  369    HB3  PRO  65           HB3      PRO  65  -4.384  21.489  -2.996
  370    HG2  PRO  65           HG2      PRO  65  -5.146  18.614  -3.257
  371    HG3  PRO  65           HG3      PRO  65  -4.566  19.740  -4.499
  372    HD2  PRO  65           HD2      PRO  65  -2.981  17.857  -3.380
  373    HD3  PRO  65           HD3      PRO  65  -2.356  19.427  -3.924
  374    H    GLY  66           HN       GLY  66  -6.033  21.002  -0.558
  375    HA2  GLY  66           HA1      GLY  66  -7.621  20.080   0.859
  376    HA3  GLY  66           HA2      GLY  66  -6.486  18.799   1.264
  377    H    GLY  67           HN       GLY  67  -4.362  19.970   2.298
  378    HA2  GLY  67           HA1      GLY  67  -3.676  21.859   3.663
  379    HA3  GLY  67           HA2      GLY  67  -5.331  21.971   4.240
  380    H    GLU  68           HN       GLU  68  -3.314  19.074   3.947
  381    HA   GLU  68           HA       GLU  68  -2.440  17.617   5.472
  382    HB2  GLU  68           HB2      GLU  68  -1.436  19.775   6.337
  383    HB3  GLU  68           HB3      GLU  68  -2.740  19.829   7.506
  384    HG2  GLU  68           HG2      GLU  68  -0.672  17.647   7.290
  385    HG3  GLU  68           HG3      GLU  68  -0.648  18.975   8.436
  386    H    GLU  69           HN       GLU  69  -4.632  19.536   7.439
  387    HA   GLU  69           HA       GLU  69  -5.123  17.622   9.316
  388    HB2  GLU  69           HB2      GLU  69  -5.636  20.116   9.323
  389    HB3  GLU  69           HB3      GLU  69  -7.133  19.713   8.497
  390    HG2  GLU  69           HG2      GLU  69  -7.945  18.509  10.348
  391    HG3  GLU  69           HG3      GLU  69  -6.369  18.508  11.134
  392    H    VAL  70           HN       VAL  70  -7.152  18.413   6.502
  393    HA   VAL  70           HA       VAL  70  -9.168  16.519   7.227
  394    HB   VAL  70           HB       VAL  70  -9.592  18.669   6.023
  395   HG11  VAL  70          HG11      VAL  70  -8.425  17.179   3.678
  396   HG12  VAL  70          HG12      VAL  70  -9.343  18.681   3.563
  397   HG13  VAL  70          HG13      VAL  70  -7.804  18.655   4.422
  398   HG21  VAL  70          HG23      VAL  70 -11.279  16.884   6.128
  399   HG22  VAL  70          HG21      VAL  70 -11.388  17.829   4.643
  400   HG23  VAL  70          HG22      VAL  70 -10.656  16.225   4.616
  401    H    LEU  71           HN       LEU  71  -6.171  16.132   5.764
  402    HA   LEU  71           HA       LEU  71  -6.818  13.970   3.991
  403    HG   LEU  71           HG       LEU  71  -3.422  15.063   2.961
  404    HB2  LEU  71           HB2      LEU  71  -4.288  15.021   5.208
  405    HB3  LEU  71           HB3      LEU  71  -4.282  13.400   4.539
  406   HD11  LEU  71          HD11      LEU  71  -6.040  13.826   2.154
  407   HD12  LEU  71          HD12      LEU  71  -4.800  14.425   1.051
  408   HD13  LEU  71          HD13      LEU  71  -4.452  13.057   2.107
  409   HD21  LEU  71          HD23      LEU  71  -4.772  16.982   3.699
  410   HD22  LEU  71          HD21      LEU  71  -4.891  16.725   1.957
  411   HD23  LEU  71          HD22      LEU  71  -6.208  16.220   3.015
  412    H    ARG  72           HN       ARG  72  -5.649  14.302   7.268
  413    HA   ARG  72           HA       ARG  72  -5.320  11.624   7.982
  414    HE   ARG  72           HE       ARG  72  -4.150  12.466  11.762
  415    HB2  ARG  72           HB2      ARG  72  -5.938  14.088   9.589
  416    HB3  ARG  72           HB3      ARG  72  -5.610  12.529  10.334
  417    HG2  ARG  72           HG2      ARG  72  -3.401  12.497   9.264
  418    HG3  ARG  72           HG3      ARG  72  -3.745  14.077   8.551
  419    HD2  ARG  72           HD2      ARG  72  -2.373  14.134  10.653
  420    HD3  ARG  72           HD3      ARG  72  -3.833  15.122  10.669
  421   HH11  ARG  72          HH12      ARG  72  -3.265  15.782  12.449
  422   HH12  ARG  72          HH11      ARG  72  -3.826  15.738  14.095
  423   HH21  ARG  72          HH22      ARG  72  -4.884  12.383  13.945
  424   HH22  ARG  72          HH21      ARG  72  -4.725  13.788  14.946
  425    H    GLU  73           HN       GLU  73  -8.107  13.590   7.758
  426    HA   GLU  73           HA       GLU  73  -9.829  12.346   9.587
  427    HB2  GLU  73           HB2      GLU  73 -10.124  14.604   8.587
  428    HB3  GLU  73           HB3      GLU  73 -10.533  13.844   7.056
  429    HG2  GLU  73           HG2      GLU  73 -12.542  12.959   7.921
  430    HG3  GLU  73           HG3      GLU  73 -12.073  13.331   9.582
  431    H    GLN  74           HN       GLN  74  -8.902  11.567   6.369
  432    HA   GLN  74           HA       GLN  74 -10.865   9.371   6.246
  433    HB2  GLN  74           HB2      GLN  74  -9.353  10.749   4.009
  434    HB3  GLN  74           HB3      GLN  74 -10.488   9.427   3.797
  435    HG2  GLN  74           HG2      GLN  74 -11.213  12.131   4.917
  436    HG3  GLN  74           HG3      GLN  74 -11.405  11.667   3.230
  437   HE21  GLN  74          HE21      GLN  74 -13.026  10.208   2.670
  438   HE22  GLN  74          HE22      GLN  74 -14.332   9.834   3.739
  439    H    ALA  75           HN       ALA  75  -7.885   9.929   7.237
  440    HA   ALA  75           HA       ALA  75  -6.574   7.731   5.804
  441    HB1  ALA  75           HB3      ALA  75  -5.272   9.787   7.580
  442    HB2  ALA  75           HB1      ALA  75  -4.478   8.637   6.503
  443    HB3  ALA  75           HB2      ALA  75  -5.445   9.951   5.833
  444    H    GLY  76           HN       GLY  76  -5.013   6.458   7.168
  445    HA2  GLY  76           HA1      GLY  76  -4.637   5.215   9.145
  446    HA3  GLY  76           HA2      GLY  76  -6.126   5.883   9.814
  447    H    GLY  77           HN       GLY  77  -7.068   5.280   6.908
  448    HA2  GLY  77           HA1      GLY  77  -7.179   2.424   6.736
  449    HA3  GLY  77           HA2      GLY  77  -8.714   3.137   7.248
  450    H    ASP  78           HN       ASP  78  -9.771   2.563   5.254
  451    HA   ASP  78           HA       ASP  78  -8.555   3.348   2.776
  452    HB2  ASP  78           HB2      ASP  78 -10.208   1.390   3.130
  453    HB3  ASP  78           HB3      ASP  78 -11.461   2.625   3.013
  454    H    ALA  79           HN       ALA  79  -9.230   5.003   1.346
  455    HA   ALA  79           HA       ALA  79 -10.811   7.127   2.639
  456    HB1  ALA  79           HB3      ALA  79  -8.403   7.643   2.700
  457    HB2  ALA  79           HB1      ALA  79  -8.353   7.533   0.940
  458    HB3  ALA  79           HB2      ALA  79  -9.312   8.793   1.717
  459    H    THR  80           HN       THR  80 -11.032   4.967   0.287
  460    HA   THR  80           HA       THR  80 -11.481   6.496  -2.059
  461    HB   THR  80           HB       THR  80 -11.094   3.979  -1.965
  462    HG1  THR  80           HG1      THR  80 -13.338   4.880  -3.483
  463   HG21  THR  80          HG23      THR  80 -14.063   3.987  -1.390
  464   HG22  THR  80          HG21      THR  80 -12.800   3.408  -0.302
  465   HG23  THR  80          HG22      THR  80 -13.110   2.568  -1.823
  466    H    GLU  81           HN       GLU  81 -13.246   6.303   0.770
  467    HA   GLU  81           HA       GLU  81 -15.888   6.646   0.156
  468    HB2  GLU  81           HB2      GLU  81 -14.877   6.720   2.437
  469    HB3  GLU  81           HB3      GLU  81 -14.259   8.325   2.084
  470    HG2  GLU  81           HG2      GLU  81 -16.144   8.790   3.296
  471    HG3  GLU  81           HG3      GLU  81 -16.736   8.907   1.639
  472    H    ASN  82           HN       ASN  82 -13.488   9.228   0.401
  473    HA   ASN  82           HA       ASN  82 -15.167  11.262  -0.665
  474    HB2  ASN  82           HB2      ASN  82 -13.281  11.666   0.914
  475    HB3  ASN  82           HB3      ASN  82 -12.155  11.215  -0.360
  476   HD21  ASN  82          HD21      ASN  82 -15.099  13.151  -0.712
  477   HD22  ASN  82          HD22      ASN  82 -14.277  14.599  -1.190
  478    H    PHE  83           HN       PHE  83 -12.874   9.048  -1.888
  479    HA   PHE  83           HA       PHE  83 -12.036  10.193  -4.293
  480    HD1  PHE  83           HD2      PHE  83 -12.553   6.666  -6.028
  481    HD2  PHE  83           HD1      PHE  83  -9.267   8.899  -4.530
  482    HE1  PHE  83           HE2      PHE  83 -11.302   6.200  -8.094
  483    HE2  PHE  83           HE1      PHE  83  -8.002   8.434  -6.589
  484    HZ   PHE  83           HZ       PHE  83  -9.024   7.084  -8.376
  485    HB2  PHE  83           HB2      PHE  83 -11.026   8.238  -3.093
  486    HB3  PHE  83           HB3      PHE  83 -12.365   7.250  -3.659
  487    H    GLU  84           HN       GLU  84 -14.799   8.190  -3.532
  488    HA   GLU  84           HA       GLU  84 -15.535   7.874  -6.298
  489    HB2  GLU  84           HB2      GLU  84 -16.691   6.947  -3.686
  490    HB3  GLU  84           HB3      GLU  84 -17.556   6.713  -5.197
  491    HG2  GLU  84           HG2      GLU  84 -15.306   5.637  -5.974
  492    HG3  GLU  84           HG3      GLU  84 -15.018   5.471  -4.244
  493    H    ASP  85           HN       ASP  85 -16.049  10.218  -3.934
  494    HA   ASP  85           HA       ASP  85 -18.687  11.015  -4.882
  495    HB2  ASP  85           HB2      ASP  85 -17.871  11.139  -2.439
  496    HB3  ASP  85           HB3      ASP  85 -16.922  12.525  -2.951
  497    H    VAL  86           HN       VAL  86 -16.738  10.964  -6.830
  498    HA   VAL  86           HA       VAL  86 -15.681  12.118  -8.468
  499    HB   VAL  86           HB       VAL  86 -17.558  14.391  -7.780
  500   HG11  VAL  86          HG11      VAL  86 -15.838  14.942  -9.427
  501   HG12  VAL  86          HG12      VAL  86 -16.291  13.538 -10.390
  502   HG13  VAL  86          HG13      VAL  86 -17.425  14.875 -10.191
  503   HG21  VAL  86          HG23      VAL  86 -18.805  12.272  -7.933
  504   HG22  VAL  86          HG21      VAL  86 -19.192  13.362  -9.266
  505   HG23  VAL  86          HG22      VAL  86 -18.110  11.993  -9.530
  506    H    GLY  87           HN       GLY  87 -13.980  12.091  -6.571
  507    HA2  GLY  87           HA1      GLY  87 -13.164  14.884  -6.138
  508    HA3  GLY  87           HA2      GLY  87 -13.075  13.684  -4.860
  509    H    HIS  88           HN       HIS  88 -12.012  13.996  -8.250
  510    HA   HIS  88           HA       HIS  88  -9.332  14.328  -7.788
  511    HD1  HIS  88           HD1      HIS  88  -8.769  10.247  -5.954
  512    HD2  HIS  88           HD2      HIS  88  -7.465  14.146  -6.612
  513    HE1  HIS  88           HE1      HIS  88  -7.184  10.805  -4.045
  514    HB2  HIS  88           HB2      HIS  88 -10.045  11.442  -7.815
  515    HB3  HIS  88           HB3      HIS  88  -8.661  11.918  -8.795
  516    H    SER  89           HN       SER  89  -8.066  13.379  -9.991
  517    HA   SER  89           HA       SER  89  -9.866  13.527 -12.250
  518    HG   SER  89           HG       SER  89  -7.235  16.565 -11.884
  519    HB2  SER  89           HB2      SER  89  -8.503  15.488 -13.194
  520    HB3  SER  89           HB3      SER  89  -9.665  15.845 -11.917
  521    H    THR  90           HN       THR  90  -8.514  11.284 -11.931
  522    HA   THR  90           HA       THR  90  -7.436   9.824 -13.309
  523    HB   THR  90           HB       THR  90  -6.738  12.230 -15.005
  524    HG1  THR  90           HG1      THR  90  -8.596  11.043 -16.217
  525   HG21  THR  90          HG23      THR  90  -5.337  10.275 -15.497
  526   HG22  THR  90          HG21      THR  90  -6.478  10.589 -16.804
  527   HG23  THR  90          HG22      THR  90  -6.786   9.280 -15.661
  528    H    ASP  91           HN       ASP  91  -5.443  12.776 -12.785
  529    HA   ASP  91           HA       ASP  91  -2.950  11.649 -13.132
  530    HB2  ASP  91           HB2      ASP  91  -3.874  13.821 -11.267
  531    HB3  ASP  91           HB3      ASP  91  -2.190  13.309 -11.305
  532    H    ALA  92           HN       ALA  92  -5.036  11.439 -10.334
  533    HA   ALA  92           HA       ALA  92  -3.128  10.256  -8.583
  534    HB1  ALA  92           HB3      ALA  92  -5.069  11.554  -7.818
  535    HB2  ALA  92           HB1      ALA  92  -6.136  10.281  -8.405
  536    HB3  ALA  92           HB2      ALA  92  -5.017   9.948  -7.083
  537    H    ARG  93           HN       ARG  93  -4.400   9.002 -11.298
  538    HA   ARG  93           HA       ARG  93  -4.776   6.266 -10.401
  539    HE   ARG  93           HE       ARG  93  -9.055   6.389 -12.776
  540    HB2  ARG  93           HB2      ARG  93  -4.767   7.625 -13.092
  541    HB3  ARG  93           HB3      ARG  93  -4.731   5.871 -12.964
  542    HG2  ARG  93           HG2      ARG  93  -6.851   5.880 -11.806
  543    HG3  ARG  93           HG3      ARG  93  -6.864   7.647 -11.805
  544    HD2  ARG  93           HD2      ARG  93  -6.970   7.690 -14.218
  545    HD3  ARG  93           HD3      ARG  93  -6.809   5.941 -14.289
  546   HH11  ARG  93          HH12      ARG  93  -8.014   7.262 -16.020
  547   HH12  ARG  93          HH11      ARG  93  -9.628   7.239 -16.670
  548   HH21  ARG  93          HH22      ARG  93 -11.164   6.394 -13.641
  549   HH22  ARG  93          HH21      ARG  93 -11.406   6.762 -15.317
  550    H    GLU  94           HN       GLU  94  -2.304   8.285 -11.825
  551    HA   GLU  94           HA       GLU  94  -0.578   5.940 -12.242
  552    HB2  GLU  94           HB2      GLU  94  -0.396   8.640 -13.599
  553    HB3  GLU  94           HB3      GLU  94   0.575   7.222 -13.962
  554    HG2  GLU  94           HG2      GLU  94  -2.376   7.572 -14.438
  555    HG3  GLU  94           HG3      GLU  94  -1.105   7.478 -15.652
  556    H    MET  95           HN       MET  95  -0.613   9.313 -11.250
  557    HA   MET  95           HA       MET  95   2.112   9.508 -10.529
  558    HB2  MET  95           HB2      MET  95   0.796  11.469 -11.056
  559    HB3  MET  95           HB3      MET  95  -0.303  11.138  -9.723
  560    HG2  MET  95           HG2      MET  95   1.460  11.566  -8.125
  561    HG3  MET  95           HG3      MET  95   2.615  11.801  -9.434
  562    HE1  MET  95           HE3      MET  95   2.103  15.381  -7.858
  563    HE2  MET  95           HE1      MET  95   1.997  13.852  -6.985
  564    HE3  MET  95           HE2      MET  95   3.266  14.096  -8.187
  565    H    SER  96           HN       SER  96  -0.534   8.090  -8.985
  566    HA   SER  96           HA       SER  96   0.182   8.687  -6.293
  567    HG   SER  96           HG       SER  96  -2.833   6.692  -7.970
  568    HB2  SER  96           HB2      SER  96  -1.630   7.043  -5.763
  569    HB3  SER  96           HB3      SER  96  -2.130   8.346  -6.841
  570    H    LYS  97           HN       LYS  97   1.141   6.477  -8.615
  571    HA   LYS  97           HA       LYS  97   1.477   4.052  -7.329
  572    HB2  LYS  97           HB2      LYS  97   2.987   5.314  -9.608
  573    HB3  LYS  97           HB3      LYS  97   3.254   3.657  -9.089
  574    HG2  LYS  97           HG2      LYS  97   0.971   3.080  -9.619
  575    HG3  LYS  97           HG3      LYS  97   0.620   4.759 -10.047
  576    HD2  LYS  97           HD2      LYS  97   2.373   4.618 -11.803
  577    HD3  LYS  97           HD3      LYS  97   2.572   2.910 -11.419
  578    HE2  LYS  97           HE2      LYS  97   0.020   4.193 -12.389
  579    HE3  LYS  97           HE3      LYS  97   1.149   3.283 -13.387
  580    HZ1  LYS  97           HZ3      LYS  97  -0.664   1.883 -12.732
  581    HZ2  LYS  97           HZ1      LYS  97  -0.406   2.224 -11.096
  582    HZ3  LYS  97           HZ2      LYS  97   0.747   1.341 -11.967
  583    H    THR  98           HN       THR  98   3.439   6.890  -7.226
  584    HA   THR  98           HA       THR  98   5.832   5.608  -6.282
  585    HB   THR  98           HB       THR  98   5.266   8.560  -6.125
  586    HG1  THR  98           HG1      THR  98   5.814   6.988  -8.442
  587   HG21  THR  98          HG23      THR  98   7.387   7.773  -5.210
  588   HG22  THR  98          HG21      THR  98   7.658   8.711  -6.680
  589   HG23  THR  98          HG22      THR  98   7.749   6.951  -6.727
  590    H    PHE  99           HN       PHE  99   2.956   6.214  -4.857
  591    HA   PHE  99           HA       PHE  99   4.181   6.659  -2.217
  592    HD1  PHE  99           HD1      PHE  99   3.908   9.067  -1.119
  593    HD2  PHE  99           HD2      PHE  99   1.612   8.980  -4.708
  594    HE1  PHE  99           HE1      PHE  99   4.660  11.355  -1.652
  595    HE2  PHE  99           HE2      PHE  99   2.363  11.259  -5.249
  596    HZ   PHE  99           HZ       PHE  99   3.973  12.416  -3.744
  597    HB2  PHE  99           HB2      PHE  99   1.365   7.270  -3.151
  598    HB3  PHE  99           HB3      PHE  99   1.940   7.470  -1.499
  599    H    ILE 100           HN       ILE 100   2.815   4.374  -4.217
  600    HA   ILE 100           HA       ILE 100   1.268   2.880  -2.326
  601    HB   ILE 100           HB       ILE 100   2.540   1.864  -4.883
  602   HG12  ILE 100          HG12      ILE 100  -0.226   2.993  -4.440
  603   HG13  ILE 100          HG13      ILE 100   1.079   3.809  -5.291
  604   HG21  ILE 100          HG21      ILE 100   0.187   0.818  -3.305
  605   HG22  ILE 100          HG22      ILE 100   0.825   0.137  -4.801
  606   HG23  ILE 100          HG23      ILE 100   1.800   0.103  -3.333
  607   HD11  ILE 100          HD13      ILE 100   1.073   2.085  -6.994
  608   HD12  ILE 100          HD11      ILE 100  -0.195   1.215  -6.128
  609   HD13  ILE 100          HD12      ILE 100  -0.528   2.803  -6.822
  610    H    ILE 101           HN       ILE 101   2.396   2.225  -0.511
  611    HA   ILE 101           HA       ILE 101   5.148   1.358  -0.823
  612    HB   ILE 101           HB       ILE 101   5.157   1.146   1.661
  613   HG12  ILE 101          HG12      ILE 101   2.365   2.286   1.419
  614   HG13  ILE 101          HG13      ILE 101   2.775   0.671   1.988
  615   HG21  ILE 101          HG21      ILE 101   4.286   3.789   0.493
  616   HG22  ILE 101          HG22      ILE 101   4.997   3.589   2.094
  617   HG23  ILE 101          HG23      ILE 101   5.936   3.190   0.656
  618   HD11  ILE 101          HD13      ILE 101   3.541   3.257   3.314
  619   HD12  ILE 101          HD11      ILE 101   2.283   2.138   3.845
  620   HD13  ILE 101          HD12      ILE 101   3.975   1.642   3.870
  621    H    GLY 102           HN       GLY 102   2.011  -0.111  -0.443
  622    HA2  GLY 102           HA1      GLY 102   2.744  -2.488  -1.530
  623    HA3  GLY 102           HA2      GLY 102   3.083  -2.721   0.180
  624    H    GLU 103           HN       GLU 103   1.456  -4.428   0.028
  625    HA   GLU 103           HA       GLU 103  -1.298  -3.416  -0.049
  626    HB2  GLU 103           HB2      GLU 103  -0.097  -6.086  -0.621
  627    HB3  GLU 103           HB3      GLU 103  -1.746  -6.015  -0.025
  628    HG2  GLU 103           HG2      GLU 103  -1.982  -6.094  -2.320
  629    HG3  GLU 103           HG3      GLU 103  -2.165  -4.384  -1.948
  630    H    LEU 104           HN       LEU 104  -2.538  -5.481   1.391
  631    HA   LEU 104           HA       LEU 104  -1.460  -4.936   4.064
  632    HG   LEU 104           HG       LEU 104  -3.400  -3.391   5.072
  633    HB2  LEU 104           HB2      LEU 104  -4.247  -5.524   3.114
  634    HB3  LEU 104           HB3      LEU 104  -3.791  -5.728   4.787
  635   HD11  LEU 104          HD11      LEU 104  -3.632  -1.753   3.318
  636   HD12  LEU 104          HD12      LEU 104  -2.369  -2.909   2.897
  637   HD13  LEU 104          HD13      LEU 104  -3.957  -3.019   2.133
  638   HD21  LEU 104          HD23      LEU 104  -5.714  -4.156   5.192
  639   HD22  LEU 104          HD21      LEU 104  -5.612  -2.496   4.605
  640   HD23  LEU 104          HD22      LEU 104  -5.916  -3.816   3.472
  641    H    HIS 105           HN       HIS 105  -1.548  -6.669   5.668
  642    HA   HIS 105           HA       HIS 105  -0.287  -9.004   4.742
  643    HD1  HIS 105           HD1      HIS 105   1.249 -10.717   7.124
  644    HD2  HIS 105           HD2      HIS 105   1.244  -6.558   7.228
  645    HE1  HIS 105           HE1      HIS 105   3.632 -10.046   7.525
  646    HE2  HIS 105           HE2      HIS 105   3.578  -7.541   7.768
  647    HB2  HIS 105           HB2      HIS 105  -1.222  -7.914   7.308
  648    HB3  HIS 105           HB3      HIS 105  -1.125  -9.670   7.253
  649    HA   PRO 106           HA       PRO 106  -3.574 -12.281   4.602
  650    HB2  PRO 106           HB2      PRO 106  -2.661 -13.093   7.336
  651    HB3  PRO 106           HB3      PRO 106  -3.024 -14.098   5.929
  652    HG2  PRO 106           HG2      PRO 106  -0.515 -13.605   6.590
  653    HG3  PRO 106           HG3      PRO 106  -1.018 -13.597   4.889
  654    HD2  PRO 106           HD2      PRO 106  -0.397 -11.319   6.697
  655    HD3  PRO 106           HD3      PRO 106  -0.104 -11.496   4.955
  656    H    ASP 107           HN       ASP 107  -4.452  -9.910   5.275
  657    HA   ASP 107           HA       ASP 107  -6.455 -10.287   7.409
  658    HB2  ASP 107           HB2      ASP 107  -5.183  -7.657   6.596
  659    HB3  ASP 107           HB3      ASP 107  -6.278  -7.920   7.947
  660    H    ASP 108           HN       ASP 108  -5.273  -8.473   4.703
  661    HA   ASP 108           HA       ASP 108  -7.867  -8.611   3.356
  662    HB2  ASP 108           HB2      ASP 108  -7.075  -6.309   3.808
  663    HB3  ASP 108           HB3      ASP 108  -5.580  -6.683   2.950
  664    H    ARG 109           HN       ARG 109  -4.441  -8.152   2.395
  665    HA   ARG 109           HA       ARG 109  -3.026  -9.412   1.141
  666    HE   ARG 109           HE       ARG 109  -0.596 -13.359   1.709
  667    HB2  ARG 109           HB2      ARG 109  -4.380 -11.177   2.803
  668    HB3  ARG 109           HB3      ARG 109  -4.637 -11.877   1.224
  669    HG2  ARG 109           HG2      ARG 109  -2.129 -11.708   0.892
  670    HG3  ARG 109           HG3      ARG 109  -2.036 -11.352   2.615
  671    HD2  ARG 109           HD2      ARG 109  -3.029 -13.485   3.152
  672    HD3  ARG 109           HD3      ARG 109  -3.307 -13.823   1.442
  673   HH11  ARG 109          HH12      ARG 109  -2.920 -15.679   2.913
  674   HH12  ARG 109          HH11      ARG 109  -1.760 -16.962   3.059
  675   HH21  ARG 109          HH22      ARG 109   0.940 -15.020   1.920
  676   HH22  ARG 109          HH21      ARG 109   0.473 -16.573   2.551
  677    HA   PRO 110           HA       PRO 110  -5.322  -9.725  -2.778
  678    HB2  PRO 110           HB2      PRO 110  -4.771 -12.264  -3.863
  679    HB3  PRO 110           HB3      PRO 110  -3.895 -10.765  -4.171
  680    HG2  PRO 110           HG2      PRO 110  -2.940 -13.038  -2.803
  681    HG3  PRO 110           HG3      PRO 110  -2.155 -11.455  -2.912
  682    HD2  PRO 110           HD2      PRO 110  -3.711 -12.643  -0.701
  683    HD3  PRO 110           HD3      PRO 110  -2.454 -11.392  -0.656
  684    H    LYS 111           HN       LYS 111  -6.742 -10.613  -0.468
  685    HA   LYS 111           HA       LYS 111  -8.145 -12.889  -0.368
  686    HB2  LYS 111           HB2      LYS 111  -8.533 -10.274   0.602
  687    HB3  LYS 111           HB3      LYS 111 -10.059 -10.742  -0.132
  688    HG2  LYS 111           HG2      LYS 111  -9.952 -11.263   2.270
  689    HG3  LYS 111           HG3      LYS 111 -10.197 -12.694   1.267
  690    HD2  LYS 111           HD2      LYS 111  -7.980 -13.410   1.560
  691    HD3  LYS 111           HD3      LYS 111  -7.471 -11.837   2.180
  692    HE2  LYS 111           HE2      LYS 111  -7.633 -13.459   3.985
  693    HE3  LYS 111           HE3      LYS 111  -8.837 -12.187   4.183
  694    HZ1  LYS 111           HZ3      LYS 111  -9.339 -14.898   3.078
  695    HZ2  LYS 111           HZ1      LYS 111 -10.500 -13.675   3.249
  696    HZ3  LYS 111           HZ2      LYS 111  -9.778 -14.353   4.625
  697    H    LEU 112           HN       LEU 112  -9.435 -10.135  -2.194
  698    HA   LEU 112           HA       LEU 112 -11.328 -11.920  -3.525
  699    HG   LEU 112           HG       LEU 112 -12.554  -9.759  -5.402
  700    HB2  LEU 112           HB2      LEU 112 -12.054  -9.798  -2.425
  701    HB3  LEU 112           HB3      LEU 112 -11.113  -8.913  -3.605
  702   HD11  LEU 112          HD11      LEU 112 -14.107 -11.045  -3.163
  703   HD12  LEU 112          HD12      LEU 112 -14.631 -10.932  -4.843
  704   HD13  LEU 112          HD13      LEU 112 -13.204 -11.881  -4.425
  705   HD21  LEU 112          HD23      LEU 112 -13.128  -7.629  -4.424
  706   HD22  LEU 112          HD21      LEU 112 -14.608  -8.524  -4.763
  707   HD23  LEU 112          HD22      LEU 112 -13.998  -8.425  -3.112
  708    H    ASN 113           HN       ASN 113  -8.937  -9.440  -4.369
  709    HA   ASN 113           HA       ASN 113  -8.159 -10.943  -6.686
  710    HB2  ASN 113           HB2      ASN 113  -8.487  -9.147  -8.332
  711    HB3  ASN 113           HB3      ASN 113 -10.024  -9.677  -7.662
  712   HD21  ASN 113          HD21      ASN 113 -11.216  -8.281  -6.424
  713   HD22  ASN 113          HD22      ASN 113 -10.852  -6.597  -6.283
  714    H    LYS 114           HN       LYS 114  -6.362  -9.772  -7.861
  715    HA   LYS 114           HA       LYS 114  -4.958  -7.794  -6.294
  716    HB2  LYS 114           HB2      LYS 114  -4.223  -9.884  -5.238
  717    HB3  LYS 114           HB3      LYS 114  -3.776 -10.534  -6.810
  718    HG2  LYS 114           HG2      LYS 114  -1.805  -9.810  -5.639
  719    HG3  LYS 114           HG3      LYS 114  -2.083  -8.769  -7.036
  720    HD2  LYS 114           HD2      LYS 114  -3.252  -7.176  -5.442
  721    HD3  LYS 114           HD3      LYS 114  -2.600  -8.159  -4.129
  722    HE2  LYS 114           HE2      LYS 114  -0.952  -6.812  -6.266
  723    HE3  LYS 114           HE3      LYS 114  -1.223  -6.168  -4.648
  724    HZ1  LYS 114           HZ3      LYS 114   0.298  -8.591  -5.429
  725    HZ2  LYS 114           HZ1      LYS 114  -0.237  -8.336  -3.837
  726    HZ3  LYS 114           HZ2      LYS 114   0.827  -7.237  -4.545
  727    HA   PRO 115           HA       PRO 115  -4.002  -7.130 -10.639
  728    HB2  PRO 115           HB2      PRO 115  -3.940  -4.355 -10.262
  729    HB3  PRO 115           HB3      PRO 115  -5.318  -5.299 -10.828
  730    HG2  PRO 115           HG2      PRO 115  -5.088  -3.904  -8.373
  731    HG3  PRO 115           HG3      PRO 115  -6.396  -4.982  -8.875
  732    HD2  PRO 115           HD2      PRO 115  -4.097  -5.504  -7.086
  733    HD3  PRO 115           HD3      PRO 115  -5.698  -6.275  -7.134
  734    HA   PRO 116           HA       PRO 116   0.318  -6.110  -9.767
  735    HB2  PRO 116           HB2      PRO 116   1.356  -8.163 -11.215
  736    HB3  PRO 116           HB3      PRO 116   0.863  -8.333  -9.529
  737    HG2  PRO 116           HG2      PRO 116  -0.361  -9.446 -11.928
  738    HG3  PRO 116           HG3      PRO 116  -0.650  -9.857 -10.231
  739    HD2  PRO 116           HD2      PRO 116  -2.207  -8.138 -11.992
  740    HD3  PRO 116           HD3      PRO 116  -2.620  -8.755 -10.380
  741    H    GLU 117           HN       GLU 117   1.661  -4.908 -11.169
  742    HA   GLU 117           HA       GLU 117   0.498  -4.432 -13.782
  743    HB2  GLU 117           HB2      GLU 117   2.807  -3.059 -12.407
  744    HB3  GLU 117           HB3      GLU 117   2.095  -2.563 -13.939
  745    HG2  GLU 117           HG2      GLU 117  -0.113  -2.416 -12.637
  746    HG3  GLU 117           HG3      GLU 117   0.896  -2.482 -11.196
  747    H    THR 118           HN       THR 118   3.726  -5.206 -12.539
  748    HA   THR 118           HA       THR 118   5.276  -6.728 -13.174
  749    HB   THR 118           HB       THR 118   3.152  -7.926 -14.946
  750    HG1  THR 118           HG1      THR 118   3.582  -8.460 -12.174
  751   HG21  THR 118          HG23      THR 118   4.272 -10.036 -14.364
  752   HG22  THR 118          HG21      THR 118   5.467  -9.134 -13.433
  753   HG23  THR 118          HG22      THR 118   5.367  -8.920 -15.181
  754    H    LEU 119           HN       LEU 119   4.373  -4.359 -15.072
  755    HA   LEU 119           HA       LEU 119   5.440  -5.201 -17.609
  756    HG   LEU 119           HG       LEU 119   2.683  -4.002 -16.934
  757    HB2  LEU 119           HB2      LEU 119   4.586  -2.496 -16.582
  758    HB3  LEU 119           HB3      LEU 119   5.134  -2.793 -18.221
  759   HD11  LEU 119          HD11      LEU 119   2.984  -1.908 -19.077
  760   HD12  LEU 119          HD12      LEU 119   1.457  -2.566 -18.487
  761   HD13  LEU 119          HD13      LEU 119   2.484  -1.614 -17.414
  762   HD21  LEU 119          HD23      LEU 119   3.672  -5.534 -18.555
  763   HD22  LEU 119          HD21      LEU 119   2.178  -4.841 -19.186
  764   HD23  LEU 119          HD22      LEU 119   3.737  -4.244 -19.758
  765    H    ILE 120           HN       ILE 120   6.326  -2.367 -15.675
  766    HA   ILE 120           HA       ILE 120   9.097  -2.761 -16.486
  767    HB   ILE 120           HB       ILE 120   8.177  -0.544 -16.946
  768   HG12  ILE 120          HG12      ILE 120   9.906   0.829 -15.722
  769   HG13  ILE 120          HG13      ILE 120  10.287  -0.612 -14.785
  770   HG21  ILE 120          HG21      ILE 120   7.592   1.008 -15.158
  771   HG22  ILE 120          HG22      ILE 120   6.507  -0.381 -15.210
  772   HG23  ILE 120          HG23      ILE 120   7.767  -0.289 -13.977
  773   HD11  ILE 120          HD13      ILE 120  11.849  -0.240 -16.631
  774   HD12  ILE 120          HD11      ILE 120  10.986  -1.769 -16.782
  775   HD13  ILE 120          HD12      ILE 120  10.515  -0.389 -17.777
  776    H    THR 121           HN       THR 121  10.046  -4.161 -15.192
  777    HA   THR 121           HA       THR 121   9.387  -4.603 -12.493
  778    HB   THR 121           HB       THR 121  11.917  -5.388 -13.954
  779    HG1  THR 121           HG1      THR 121  10.773  -7.275 -14.450
  780   HG21  THR 121          HG23      THR 121  12.090  -7.151 -12.272
  781   HG22  THR 121          HG21      THR 121  10.620  -6.567 -11.491
  782   HG23  THR 121          HG22      THR 121  12.070  -5.566 -11.496
  783    H    THR 122           HN       THR 122  10.007  -3.592 -10.688
  784    HA   THR 122           HA       THR 122  12.229  -1.685 -10.895
  785    HB   THR 122           HB       THR 122  10.071  -0.596 -10.485
  786    HG1  THR 122           HG1      THR 122  11.272   0.725  -9.380
  787   HG21  THR 122          HG23      THR 122   8.933  -2.433  -9.317
  788   HG22  THR 122          HG21      THR 122   8.853  -0.928  -8.401
  789   HG23  THR 122          HG22      THR 122   9.985  -2.193  -7.922
  790    H    ILE 123           HN       ILE 123  13.915  -1.871  -9.535
  791    HA   ILE 123           HA       ILE 123  13.684  -3.677  -7.228
  792    HB   ILE 123           HB       ILE 123  16.147  -3.775  -8.972
  793   HG12  ILE 123          HG12      ILE 123  13.740  -5.589  -9.191
  794   HG13  ILE 123          HG13      ILE 123  14.223  -4.405 -10.401
  795   HG21  ILE 123          HG21      ILE 123  16.441  -5.964  -7.903
  796   HG22  ILE 123          HG22      ILE 123  16.322  -4.670  -6.711
  797   HG23  ILE 123          HG23      ILE 123  14.941  -5.726  -7.008
  798   HD11  ILE 123          HD13      ILE 123  14.880  -6.686 -10.994
  799   HD12  ILE 123          HD11      ILE 123  16.282  -5.634 -10.797
  800   HD13  ILE 123          HD12      ILE 123  15.850  -6.781  -9.527
  801    H    ASP 124           HN       ASP 124  16.163  -3.528  -6.194
  802    HA   ASP 124           HA       ASP 124  17.794  -2.316  -5.192
  803    HB2  ASP 124           HB2      ASP 124  18.171  -1.151  -7.322
  804    HB3  ASP 124           HB3      ASP 124  16.903   0.002  -6.915
  805    H    SER 125           HN       SER 125  15.218   0.116  -5.686
  806    HA   SER 125           HA       SER 125  14.339  -0.048  -2.992
  807    HG   SER 125           HG       SER 125  17.100   1.970  -4.300
  808    HB2  SER 125           HB2      SER 125  15.080   2.269  -2.330
  809    HB3  SER 125           HB3      SER 125  16.369   1.072  -2.423
  810    H    SER 126           HN       SER 126  14.679   2.935  -4.869
  811    HA   SER 126           HA       SER 126  11.782   2.867  -5.414
  812    HG   SER 126           HG       SER 126  13.804   6.016  -4.839
  813    HB2  SER 126           HB2      SER 126  11.760   5.344  -4.907
  814    HB3  SER 126           HB3      SER 126  12.024   4.308  -3.503
  815    H    SER 127           HN       SER 127  14.427   2.547  -6.936
  816    HA   SER 127           HA       SER 127  15.318   3.045  -8.965
  817    HG   SER 127           HG       SER 127  14.383   4.488 -11.085
  818    HB2  SER 127           HB2      SER 127  12.997   2.463  -9.676
  819    HB3  SER 127           HB3      SER 127  12.564   4.167  -9.556
  820    H    SER 128           HN       SER 128  15.945   4.819  -6.995
  821    HA   SER 128           HA       SER 128  15.845   7.431  -8.330
  822    HG   SER 128           HG       SER 128  13.890   7.831  -7.010
  823    HB2  SER 128           HB2      SER 128  15.988   6.840  -5.363
  824    HB3  SER 128           HB3      SER 128  15.962   8.444  -6.091
  825    HHA  HEM 129           HHA      HEM 129  -5.832  17.562  -6.209
  826    HHB  HEM 129           HHB      HEM 129  -2.218  12.200  -6.169
  827    HHC  HEM 129           HHC      HEM 129  -5.151  10.350  -0.780
  828    HHD  HEM 129           HHD      HEM 129  -9.253  15.319  -1.246
  829    HAB  HEM 129           HAB      HEM 129  -2.770   9.438  -0.720
  830    HAC  HEM 129           HAC      HEM 129  -9.987  14.034   0.457
  831   HMA1  HEM 129          HMA1      HEM 129  -2.056  15.072  -8.884
  832   HMA2  HEM 129          HMA2      HEM 129  -1.137  14.270  -7.611
  833   HMA3  HEM 129          HMA3      HEM 129  -2.313  13.359  -8.573
  834   HAA1  HEM 129          HAA1      HEM 129  -3.009  17.501  -8.097
  835   HAA2  HEM 129          HAA2      HEM 129  -3.492  16.290  -8.831
  836   HBA1  HEM 129          HBA1      HEM 129  -5.228  18.284  -9.092
  837   HBA2  HEM 129          HBA2      HEM 129  -5.974  16.708  -8.767
  838   HMB1  HEM 129          HMB1      HEM 129  -0.315  10.793  -4.080
  839   HMB2  HEM 129          HMB2      HEM 129  -1.304   9.536  -5.079
  840   HMB3  HEM 129          HMB3      HEM 129  -1.139   9.656  -3.567
  841   HBB1  HEM 129          HBB1      HEM 129  -2.749   7.874  -3.339
  842   HBB2  HEM 129          HBB2      HEM 129  -2.455   7.238  -1.603
  843   HMC1  HEM 129          HMC1      HEM 129  -8.335  10.378   0.882
  844   HMC2  HEM 129          HMC2      HEM 129  -6.645   9.998   0.526
  845   HMC3  HEM 129          HMC3      HEM 129  -7.091  11.141   1.844
  846   HBC1  HEM 129          HBC1      HEM 129 -10.035  13.361   2.723
  847   HBC2  HEM 129          HBC2      HEM 129  -8.400  12.506   2.578
  848   HMD1  HEM 129          HMD1      HEM 129 -10.297  17.111  -1.856
  849   HMD2  HEM 129          HMD2      HEM 129 -10.422  18.325  -3.276
  850   HMD3  HEM 129          HMD3      HEM 129  -9.304  18.179  -2.269
  851   HAD1  HEM 129          HAD1      HEM 129  -8.614  18.396  -6.326
  852   HAD2  HEM 129          HAD2      HEM 129  -9.259  18.555  -4.969
  853   HBD1  HEM 129          HBD1      HEM 129  -8.045  20.684  -5.716
  854   HBD2  HEM 129          HBD2      HEM 129  -7.234  20.152  -4.237
  Start of MODEL   20
    1    HA   MET  21           HA       MET  21   3.600 -26.878  -9.093
    2    H1   MET  21           1H       MET  21   5.243 -27.413  -7.640
    3    HB2  MET  21           HB2      MET  21   2.164 -28.422  -7.914
    4    HB3  MET  21           HB3      MET  21   1.810 -27.222  -6.680
    5    HG2  MET  21           HG2      MET  21  -0.074 -27.399  -8.139
    6    HG3  MET  21           HG3      MET  21   0.702 -25.839  -8.409
    7    HE1  MET  21           HE3      MET  21   1.013 -29.437 -11.282
    8    HE2  MET  21           HE1      MET  21   1.773 -29.425  -9.691
    9    HE3  MET  21           HE2      MET  21   0.014 -29.422  -9.830
   10    H    ALA  22           HN       ALA  22   2.476 -25.240  -6.124
   11    HA   ALA  22           HA       ALA  22   3.017 -22.658  -7.365
   12    HB1  ALA  22           HB3      ALA  22   0.727 -21.856  -7.004
   13    HB2  ALA  22           HB1      ALA  22   0.783 -23.185  -8.162
   14    HB3  ALA  22           HB2      ALA  22   0.244 -23.479  -6.508
   15    H    GLU  23           HN       GLU  23   3.341 -21.037  -5.902
   16    HA   GLU  23           HA       GLU  23   3.580 -21.803  -3.107
   17    HB2  GLU  23           HB2      GLU  23   4.168 -19.138  -4.422
   18    HB3  GLU  23           HB3      GLU  23   4.648 -19.625  -2.805
   19    HG2  GLU  23           HG2      GLU  23   5.578 -21.079  -5.253
   20    HG3  GLU  23           HG3      GLU  23   6.418 -19.667  -4.615
   21    H    GLN  24           HN       GLN  24   2.625 -18.633  -4.203
   22    HA   GLN  24           HA       GLN  24  -0.081 -18.987  -3.146
   23    HB2  GLN  24           HB2      GLN  24   0.181 -16.509  -2.386
   24    HB3  GLN  24           HB3      GLN  24   0.828 -17.795  -1.379
   25    HG2  GLN  24           HG2      GLN  24   2.997 -17.288  -2.845
   26    HG3  GLN  24           HG3      GLN  24   2.226 -15.703  -2.923
   27   HE21  GLN  24          HE21      GLN  24   3.685 -18.074  -0.854
   28   HE22  GLN  24          HE22      GLN  24   3.873 -17.054   0.529
   29    H    SER  25           HN       SER  25   0.891 -19.219  -5.747
   30    HA   SER  25           HA       SER  25   0.464 -18.663  -7.878
   31    HG   SER  25           HG       SER  25  -2.742 -18.571  -6.490
   32    HB2  SER  25           HB2      SER  25  -1.586 -16.822  -6.630
   33    HB3  SER  25           HB3      SER  25  -1.481 -17.181  -8.354
   34    H    ASP  26           HN       ASP  26  -0.090 -15.442  -6.470
   35    HA   ASP  26           HA       ASP  26   1.609 -14.346  -8.568
   36    HB2  ASP  26           HB2      ASP  26  -0.206 -12.997  -6.558
   37    HB3  ASP  26           HB3      ASP  26   0.655 -12.169  -7.855
   38    H    GLU  27           HN       GLU  27   2.820 -15.749  -6.396
   39    HA   GLU  27           HA       GLU  27   4.582 -15.684  -5.007
   40    HB2  GLU  27           HB2      GLU  27   5.170 -13.091  -6.434
   41    HB3  GLU  27           HB3      GLU  27   6.297 -13.942  -5.385
   42    HG2  GLU  27           HG2      GLU  27   5.792 -15.929  -7.034
   43    HG3  GLU  27           HG3      GLU  27   5.370 -14.606  -8.122
   44    H    ALA  28           HN       ALA  28   5.934 -13.552  -3.777
   45    HA   ALA  28           HA       ALA  28   4.095 -13.134  -1.592
   46    HB1  ALA  28           HB3      ALA  28   6.402 -13.866  -1.183
   47    HB2  ALA  28           HB1      ALA  28   6.992 -12.343  -1.845
   48    HB3  ALA  28           HB2      ALA  28   6.031 -12.346  -0.366
   49    H    VAL  29           HN       VAL  29   3.596 -11.142  -0.676
   50    HA   VAL  29           HA       VAL  29   4.204  -8.719  -2.224
   51    HB   VAL  29           HB       VAL  29   1.454  -9.260  -1.091
   52   HG11  VAL  29          HG11      VAL  29   2.115  -6.911  -1.349
   53   HG12  VAL  29          HG12      VAL  29   2.395  -7.192  -3.066
   54   HG13  VAL  29          HG13      VAL  29   0.771  -7.354  -2.398
   55   HG21  VAL  29          HG23      VAL  29   0.671  -9.635  -3.392
   56   HG22  VAL  29          HG21      VAL  29   2.340  -9.582  -3.955
   57   HG23  VAL  29          HG22      VAL  29   1.817 -10.871  -2.873
   58    H    LYS  30           HN       LYS  30   4.557  -6.923  -0.907
   59    HA   LYS  30           HA       LYS  30   4.903  -7.476   1.885
   60    HB2  LYS  30           HB2      LYS  30   5.212  -4.877   0.366
   61    HB3  LYS  30           HB3      LYS  30   5.593  -5.086   2.067
   62    HG2  LYS  30           HG2      LYS  30   7.655  -5.242   1.047
   63    HG3  LYS  30           HG3      LYS  30   7.197  -6.930   1.261
   64    HD2  LYS  30           HD2      LYS  30   8.066  -6.754  -0.935
   65    HD3  LYS  30           HD3      LYS  30   6.315  -6.862  -1.110
   66    HE2  LYS  30           HE2      LYS  30   7.050  -5.164  -2.594
   67    HE3  LYS  30           HE3      LYS  30   6.276  -4.355  -1.235
   68    HZ1  LYS  30           HZ3      LYS  30   8.466  -3.918  -0.295
   69    HZ2  LYS  30           HZ1      LYS  30   8.332  -3.255  -1.850
   70    HZ3  LYS  30           HZ2      LYS  30   9.209  -4.684  -1.611
   71    H    TYR  31           HN       TYR  31   3.261  -7.488   3.261
   72    HA   TYR  31           HA       TYR  31   0.917  -5.822   2.659
   73    HD1  TYR  31           HD2      TYR  31  -0.386  -7.069   1.263
   74    HD2  TYR  31           HD1      TYR  31   1.076 -10.316   3.583
   75    HE1  TYR  31           HE2      TYR  31  -0.796  -8.595  -0.630
   76    HE2  TYR  31           HE1      TYR  31   0.677 -11.853   1.707
   77    HH   TYR  31           HH       TYR  31   0.050 -10.785  -1.435
   78    HB2  TYR  31           HB2      TYR  31   1.109  -8.216   4.486
   79    HB3  TYR  31           HB3      TYR  31  -0.350  -7.328   4.082
   80    H    TYR  32           HN       TYR  32  -0.211  -4.854   4.455
   81    HA   TYR  32           HA       TYR  32   1.099  -4.991   7.073
   82    HD1  TYR  32           HD1      TYR  32   2.802  -2.834   8.181
   83    HD2  TYR  32           HD2      TYR  32   1.662  -2.131   4.143
   84    HE1  TYR  32           HE1      TYR  32   5.097  -2.129   7.662
   85    HE2  TYR  32           HE2      TYR  32   3.955  -1.413   3.616
   86    HH   TYR  32           HH       TYR  32   6.574  -1.897   5.773
   87    HB2  TYR  32           HB2      TYR  32  -0.010  -2.447   5.845
   88    HB3  TYR  32           HB3      TYR  32   0.436  -2.625   7.535
   89    H    THR  33           HN       THR  33  -0.447  -5.012   8.801
   90    HA   THR  33           HA       THR  33  -3.108  -5.770   8.030
   91    HB   THR  33           HB       THR  33  -3.547  -5.545  10.545
   92    HG1  THR  33           HG1      THR  33  -0.693  -5.486  10.618
   93   HG21  THR  33          HG23      THR  33  -3.189  -7.683   9.421
   94   HG22  THR  33          HG21      THR  33  -2.469  -7.667  11.032
   95   HG23  THR  33          HG22      THR  33  -1.445  -7.485   9.609
   96    H    LEU  34           HN       LEU  34  -5.058  -4.676   8.966
   97    HA   LEU  34           HA       LEU  34  -5.300  -1.950   8.568
   98    HG   LEU  34           HG       LEU  34  -7.104  -1.136  10.960
   99    HB2  LEU  34           HB2      LEU  34  -7.190  -3.501   9.066
  100    HB3  LEU  34           HB3      LEU  34  -6.662  -3.574  10.737
  101   HD11  LEU  34          HD11      LEU  34  -6.814  -0.497   8.634
  102   HD12  LEU  34          HD12      LEU  34  -8.246  -1.419   8.183
  103   HD13  LEU  34          HD13      LEU  34  -8.398  -0.001   9.225
  104   HD21  LEU  34          HD23      LEU  34  -8.801  -2.753  11.633
  105   HD22  LEU  34          HD21      LEU  34  -9.549  -1.306  10.958
  106   HD23  LEU  34          HD22      LEU  34  -9.443  -2.777   9.990
  107    H    GLU  35           HN       GLU  35  -4.371  -3.748  11.381
  108    HA   GLU  35           HA       GLU  35  -4.123  -1.904  13.395
  109    HB2  GLU  35           HB2      GLU  35  -3.916  -4.353  13.643
  110    HB3  GLU  35           HB3      GLU  35  -2.355  -4.293  12.836
  111    HG2  GLU  35           HG2      GLU  35  -1.700  -2.665  14.731
  112    HG3  GLU  35           HG3      GLU  35  -3.103  -3.329  15.564
  113    H    GLU  36           HN       GLU  36  -1.682  -2.924  11.083
  114    HA   GLU  36           HA       GLU  36   0.470  -1.478  12.210
  115    HB2  GLU  36           HB2      GLU  36   0.004  -2.887   9.603
  116    HB3  GLU  36           HB3      GLU  36   1.516  -2.051   9.939
  117    HG2  GLU  36           HG2      GLU  36   2.045  -3.506  11.709
  118    HG3  GLU  36           HG3      GLU  36   0.409  -4.165  11.759
  119    H    ILE  37           HN       ILE  37  -1.913  -0.748   9.814
  120    HA   ILE  37           HA       ILE  37  -0.505   1.647   8.923
  121    HB   ILE  37           HB       ILE  37  -3.161   0.501   8.037
  122   HG12  ILE  37          HG12      ILE  37  -0.517   0.442   6.591
  123   HG13  ILE  37          HG13      ILE  37  -1.053  -0.871   7.635
  124   HG21  ILE  37          HG21      ILE  37  -3.055   2.879   7.613
  125   HG22  ILE  37          HG22      ILE  37  -1.458   2.712   6.880
  126   HG23  ILE  37          HG23      ILE  37  -2.871   2.007   6.092
  127   HD11  ILE  37          HD13      ILE  37  -2.511   0.119   5.196
  128   HD12  ILE  37          HD11      ILE  37  -1.476  -1.305   5.265
  129   HD13  ILE  37          HD12      ILE  37  -2.969  -1.254   6.203
  130    H    GLN  38           HN       GLN  38  -3.268   0.651  10.800
  131    HA   GLN  38           HA       GLN  38  -4.428   3.152  11.331
  132    HB2  GLN  38           HB2      GLN  38  -5.271   0.805  11.943
  133    HB3  GLN  38           HB3      GLN  38  -4.169   0.877  13.312
  134    HG2  GLN  38           HG2      GLN  38  -6.335   1.467  14.069
  135    HG3  GLN  38           HG3      GLN  38  -5.344   2.922  14.076
  136   HE21  GLN  38          HE21      GLN  38  -5.735   4.525  12.518
  137   HE22  GLN  38          HE22      GLN  38  -7.231   4.604  11.656
  138    H    LYS  39           HN       LYS  39  -1.741   1.404  12.731
  139    HA   LYS  39           HA       LYS  39  -1.257   3.111  14.946
  140    HB2  LYS  39           HB2      LYS  39  -0.424   0.599  14.108
  141    HB3  LYS  39           HB3      LYS  39   1.033   1.571  13.955
  142    HG2  LYS  39           HG2      LYS  39   0.849   2.237  16.293
  143    HG3  LYS  39           HG3      LYS  39  -0.633   1.293  16.438
  144    HD2  LYS  39           HD2      LYS  39   1.960   0.040  15.598
  145    HD3  LYS  39           HD3      LYS  39   1.508   0.220  17.296
  146    HE2  LYS  39           HE2      LYS  39  -0.494  -1.072  16.947
  147    HE3  LYS  39           HE3      LYS  39  -0.181  -1.152  15.220
  148    HZ1  LYS  39           HZ3      LYS  39   1.915  -2.380  15.812
  149    HZ2  LYS  39           HZ1      LYS  39   0.479  -3.216  16.159
  150    HZ3  LYS  39           HZ2      LYS  39   1.352  -2.461  17.403
  151    H    HIS  40           HN       HIS  40  -0.804   3.499  11.683
  152    HA   HIS  40           HA       HIS  40   1.438   5.362  12.049
  153    HD1  HIS  40           HD1      HIS  40   2.592   1.847   9.337
  154    HD2  HIS  40           HD2      HIS  40   3.456   4.512  12.387
  155    HE1  HIS  40           HE1      HIS  40   4.670   0.957  10.426
  156    HE2  HIS  40           HE2      HIS  40   5.294   2.702  12.130
  157    HB2  HIS  40           HB2      HIS  40   0.738   3.544   9.756
  158    HB3  HIS  40           HB3      HIS  40   1.750   4.965   9.516
  159    H    ASN  41           HN       ASN  41  -1.578   5.645  12.196
  160    HA   ASN  41           HA       ASN  41  -1.471   8.154  10.688
  161    HB2  ASN  41           HB2      ASN  41  -3.331   6.867   9.778
  162    HB3  ASN  41           HB3      ASN  41  -3.966   6.628  11.396
  163   HD21  ASN  41          HD21      ASN  41  -5.920   7.641  10.966
  164   HD22  ASN  41          HD22      ASN  41  -6.042   9.345  10.725
  165    H    HIS  42           HN       HIS  42  -0.649   9.433  12.202
  166    HA   HIS  42           HA       HIS  42  -2.299   9.857  14.553
  167    HD1  HIS  42           HD1      HIS  42   2.225  10.504  15.145
  168    HD2  HIS  42           HD2      HIS  42   0.724   6.873  13.774
  169    HE1  HIS  42           HE1      HIS  42   4.157   9.326  14.070
  170    HE2  HIS  42           HE2      HIS  42   3.289   7.023  13.580
  171    HB2  HIS  42           HB2      HIS  42  -0.133  10.004  15.954
  172    HB3  HIS  42           HB3      HIS  42  -0.798   8.422  15.605
  173    H    SER  43           HN       SER  43   0.684  10.913  12.945
  174    HA   SER  43           HA       SER  43  -0.131  13.587  12.594
  175    HG   SER  43           HG       SER  43   2.023  13.274  16.059
  176    HB2  SER  43           HB2      SER  43   1.511  14.579  14.272
  177    HB3  SER  43           HB3      SER  43   0.049  13.881  14.967
  178    H    LYS  44           HN       LYS  44   2.938  12.334  13.757
  179    HA   LYS  44           HA       LYS  44   4.621  13.468  11.864
  180    HB2  LYS  44           HB2      LYS  44   5.156  12.315  14.108
  181    HB3  LYS  44           HB3      LYS  44   5.170  10.817  13.187
  182    HG2  LYS  44           HG2      LYS  44   7.417  11.533  13.358
  183    HG3  LYS  44           HG3      LYS  44   6.908  11.876  11.700
  184    HD2  LYS  44           HD2      LYS  44   6.496  14.201  12.297
  185    HD3  LYS  44           HD3      LYS  44   6.963  13.867  13.963
  186    HE2  LYS  44           HE2      LYS  44   9.205  13.178  13.104
  187    HE3  LYS  44           HE3      LYS  44   8.705  13.755  11.514
  188    HZ1  LYS  44           HZ3      LYS  44   8.331  15.956  12.509
  189    HZ2  LYS  44           HZ1      LYS  44   9.947  15.455  12.645
  190    HZ3  LYS  44           HZ2      LYS  44   8.918  15.386  13.989
  191    H    SER  45           HN       SER  45   3.195  10.238  11.940
  192    HA   SER  45           HA       SER  45   3.693  10.060   9.063
  193    HG   SER  45           HG       SER  45   4.203   7.513   8.361
  194    HB2  SER  45           HB2      SER  45   4.841   8.256  10.297
  195    HB3  SER  45           HB3      SER  45   3.307   7.770  11.012
  196    H    THR  46           HN       THR  46   2.000   9.712   7.737
  197    HA   THR  46           HA       THR  46  -0.616   9.112   8.865
  198    HB   THR  46           HB       THR  46  -0.160  11.452   6.987
  199    HG1  THR  46           HG1      THR  46   0.581  11.882   9.145
  200   HG21  THR  46          HG23      THR  46  -2.635  10.542   8.459
  201   HG22  THR  46          HG21      THR  46  -2.351  10.391   6.725
  202   HG23  THR  46          HG22      THR  46  -2.502  11.987   7.458
  203    H    TRP  47           HN       TRP  47  -0.495   7.097   7.858
  204    HA   TRP  47           HA       TRP  47  -0.177   6.991   4.965
  205    HD1  TRP  47           HD1      TRP  47   1.918   6.933   5.399
  206    HE1  TRP  47           HE1      TRP  47   4.246   5.853   5.550
  207    HE3  TRP  47           HE3      TRP  47   0.528   2.258   6.926
  208    HZ2  TRP  47           HZ2      TRP  47   5.346   3.341   6.256
  209    HZ3  TRP  47           HZ3      TRP  47   2.270   0.578   7.318
  210    HH2  TRP  47           HH2      TRP  47   4.626   1.099   6.992
  211    HB2  TRP  47           HB2      TRP  47  -0.609   4.873   7.064
  212    HB3  TRP  47           HB3      TRP  47  -0.698   4.519   5.344
  213    H    LEU  48           HN       LEU  48  -1.860   5.480   3.837
  214    HA   LEU  48           HA       LEU  48  -4.500   5.598   4.977
  215    HG   LEU  48           HG       LEU  48  -4.068   6.431   1.224
  216    HB2  LEU  48           HB2      LEU  48  -5.596   6.739   3.135
  217    HB3  LEU  48           HB3      LEU  48  -4.439   7.789   3.918
  218   HD11  LEU  48          HD11      LEU  48  -4.521   9.323   1.952
  219   HD12  LEU  48          HD12      LEU  48  -4.265   8.674   0.333
  220   HD13  LEU  48          HD13      LEU  48  -5.716   8.239   1.236
  221   HD21  LEU  48          HD23      LEU  48  -2.061   7.795   1.019
  222   HD22  LEU  48          HD21      LEU  48  -2.306   8.436   2.648
  223   HD23  LEU  48          HD22      LEU  48  -1.930   6.729   2.418
  224    H    ILE  49           HN       ILE  49  -6.059   4.289   3.805
  225    HA   ILE  49           HA       ILE  49  -4.717   2.346   2.032
  226    HB   ILE  49           HB       ILE  49  -7.094   1.849   3.834
  227   HG12  ILE  49          HG12      ILE  49  -4.243   0.856   4.104
  228   HG13  ILE  49          HG13      ILE  49  -4.907   2.212   5.012
  229   HG21  ILE  49          HG21      ILE  49  -5.471  -0.020   2.106
  230   HG22  ILE  49          HG22      ILE  49  -6.745  -0.509   3.226
  231   HG23  ILE  49          HG23      ILE  49  -7.137   0.486   1.822
  232   HD11  ILE  49          HD13      ILE  49  -5.913  -0.617   5.135
  233   HD12  ILE  49          HD11      ILE  49  -4.869   0.160   6.324
  234   HD13  ILE  49          HD12      ILE  49  -6.514   0.746   6.078
  235    H    LEU  50           HN       LEU  50  -5.436   2.320   0.002
  236    HA   LEU  50           HA       LEU  50  -7.959   3.713  -0.516
  237    HG   LEU  50           HG       LEU  50  -5.473   5.716  -2.455
  238    HB2  LEU  50           HB2      LEU  50  -5.498   3.331  -2.193
  239    HB3  LEU  50           HB3      LEU  50  -7.020   3.805  -2.913
  240   HD11  LEU  50          HD11      LEU  50  -7.920   6.006  -2.636
  241   HD12  LEU  50          HD12      LEU  50  -8.047   5.785  -0.892
  242   HD13  LEU  50          HD13      LEU  50  -7.172   7.172  -1.542
  243   HD21  LEU  50          HD23      LEU  50  -5.245   6.493  -0.155
  244   HD22  LEU  50          HD21      LEU  50  -6.027   5.019   0.413
  245   HD23  LEU  50          HD22      LEU  50  -4.468   4.930  -0.409
  246    H    HIS  51           HN       HIS  51  -6.613   1.714  -2.975
  247    HA   HIS  51           HA       HIS  51  -9.054   0.126  -2.900
  248    HD1  HIS  51           HD1      HIS  51  -9.489  -0.014  -7.021
  249    HD2  HIS  51           HD2      HIS  51  -9.133   2.841  -4.019
  250    HE1  HIS  51           HE1      HIS  51 -11.163   1.762  -7.581
  251    HE2  HIS  51           HE2      HIS  51 -11.143   3.313  -5.601
  252    HB2  HIS  51           HB2      HIS  51  -6.931   0.589  -4.967
  253    HB3  HIS  51           HB3      HIS  51  -8.019  -0.790  -5.113
  254    H    HIS  52           HN       HIS  52  -8.030  -0.763  -0.785
  255    HA   HIS  52           HA       HIS  52  -7.315  -2.623   0.344
  256    HD1  HIS  52           HD1      HIS  52  -9.030  -5.267  -3.053
  257    HD2  HIS  52           HD2      HIS  52  -9.326  -3.656   0.759
  258    HE1  HIS  52           HE1      HIS  52 -11.362  -5.778  -2.281
  259    HE2  HIS  52           HE2      HIS  52 -11.422  -5.008   0.110
  260    HB2  HIS  52           HB2      HIS  52  -7.068  -3.763  -2.443
  261    HB3  HIS  52           HB3      HIS  52  -6.631  -4.679  -1.005
  262    H    LYS  53           HN       LYS  53  -5.503  -0.593  -1.285
  263    HA   LYS  53           HA       LYS  53  -2.975  -1.874  -0.511
  264    HB2  LYS  53           HB2      LYS  53  -3.415   0.143  -2.732
  265    HB3  LYS  53           HB3      LYS  53  -1.860  -0.502  -2.234
  266    HG2  LYS  53           HG2      LYS  53  -2.387  -2.666  -3.018
  267    HG3  LYS  53           HG3      LYS  53  -4.089  -2.253  -3.238
  268    HD2  LYS  53           HD2      LYS  53  -3.457  -0.663  -5.004
  269    HD3  LYS  53           HD3      LYS  53  -1.760  -1.095  -4.778
  270    HE2  LYS  53           HE2      LYS  53  -3.951  -2.991  -5.620
  271    HE3  LYS  53           HE3      LYS  53  -2.779  -2.245  -6.707
  272    HZ1  LYS  53           HZ3      LYS  53  -2.288  -4.262  -4.583
  273    HZ2  LYS  53           HZ1      LYS  53  -1.030  -3.343  -5.268
  274    HZ3  LYS  53           HZ2      LYS  53  -1.947  -4.375  -6.244
  275    H    VAL  54           HN       VAL  54  -1.560  -0.680   0.706
  276    HA   VAL  54           HA       VAL  54  -2.672   1.709   1.964
  277    HB   VAL  54           HB       VAL  54  -1.744   0.065   3.460
  278   HG11  VAL  54          HG11      VAL  54   0.875   0.382   2.006
  279   HG12  VAL  54          HG12      VAL  54   0.578  -0.613   3.431
  280   HG13  VAL  54          HG13      VAL  54  -0.198  -1.015   1.900
  281   HG21  VAL  54          HG23      VAL  54   0.054   2.477   3.253
  282   HG22  VAL  54          HG21      VAL  54  -1.465   2.367   4.146
  283   HG23  VAL  54          HG22      VAL  54  -0.067   1.420   4.659
  284    H    TYR  55           HN       TYR  55  -1.849   3.747   1.706
  285    HA   TYR  55           HA       TYR  55   0.454   4.067  -0.113
  286    HD1  TYR  55           HD2      TYR  55  -2.775   3.293  -0.449
  287    HD2  TYR  55           HD1      TYR  55  -0.940   6.178  -2.986
  288    HE1  TYR  55           HE2      TYR  55  -3.823   2.240  -2.406
  289    HE2  TYR  55           HE1      TYR  55  -1.982   5.118  -4.946
  290    HH   TYR  55           HH       TYR  55  -2.935   2.978  -5.599
  291    HB2  TYR  55           HB2      TYR  55  -1.956   5.872   0.239
  292    HB3  TYR  55           HB3      TYR  55  -0.541   6.289  -0.715
  293    H    ASP  56           HN       ASP  56   1.196   6.572   0.222
  294    HA   ASP  56           HA       ASP  56   1.525   7.030   3.105
  295    HB2  ASP  56           HB2      ASP  56   3.521   5.835   2.301
  296    HB3  ASP  56           HB3      ASP  56   3.749   7.040   1.042
  297    H    LEU  57           HN       LEU  57   1.827   9.274   3.680
  298    HA   LEU  57           HA       LEU  57   1.864  11.184   1.430
  299    HG   LEU  57           HG       LEU  57  -0.792   9.836   2.752
  300    HB2  LEU  57           HB2      LEU  57   0.349  11.809   3.935
  301    HB3  LEU  57           HB3      LEU  57   0.287  12.621   2.400
  302   HD11  LEU  57          HD11      LEU  57  -1.980  11.270   4.297
  303   HD12  LEU  57          HD12      LEU  57  -2.229  12.467   3.024
  304   HD13  LEU  57          HD13      LEU  57  -3.003  10.885   2.910
  305   HD21  LEU  57          HD23      LEU  57  -2.033  10.402   0.723
  306   HD22  LEU  57          HD21      LEU  57  -1.284  11.999   0.705
  307   HD23  LEU  57          HD22      LEU  57  -0.293  10.560   0.468
  308    H    THR  58           HN       THR  58   3.757  10.055   3.642
  309    HA   THR  58           HA       THR  58   4.241  12.256   5.388
  310    HB   THR  58           HB       THR  58   6.320  11.116   6.006
  311    HG1  THR  58           HG1      THR  58   5.625   9.330   3.868
  312   HG21  THR  58          HG23      THR  58   3.921   9.306   5.759
  313   HG22  THR  58          HG21      THR  58   4.277  10.414   7.083
  314   HG23  THR  58          HG22      THR  58   5.303   9.006   6.812
  315    H    LYS  59           HN       LYS  59   5.484  13.995   5.127
  316    HA   LYS  59           HA       LYS  59   6.764  15.590   4.112
  317    HB2  LYS  59           HB2      LYS  59   7.274  13.546   1.939
  318    HB3  LYS  59           HB3      LYS  59   8.021  15.134   2.036
  319    HG2  LYS  59           HG2      LYS  59   9.206  14.525   4.023
  320    HG3  LYS  59           HG3      LYS  59   8.316  13.005   4.142
  321    HD2  LYS  59           HD2      LYS  59  10.209  13.777   1.923
  322    HD3  LYS  59           HD3      LYS  59  10.565  12.662   3.243
  323    HE2  LYS  59           HE2      LYS  59   8.455  12.298   1.116
  324    HE3  LYS  59           HE3      LYS  59   9.999  11.453   1.200
  325    HZ1  LYS  59           HZ3      LYS  59   8.362  10.007   2.068
  326    HZ2  LYS  59           HZ1      LYS  59   7.695  11.211   3.050
  327    HZ3  LYS  59           HZ2      LYS  59   9.226  10.580   3.410
  328    H    PHE  60           HN       PHE  60   4.425  13.708   2.409
  329    HA   PHE  60           HA       PHE  60   3.966  15.490   0.259
  330    HD1  PHE  60           HD2      PHE  60   3.515  14.677  -1.963
  331    HD2  PHE  60           HD1      PHE  60   0.139  13.302   0.248
  332    HE1  PHE  60           HE2      PHE  60   2.076  15.066  -3.927
  333    HE2  PHE  60           HE1      PHE  60  -1.297  13.686  -1.703
  334    HZ   PHE  60           HZ       PHE  60  -0.340  14.584  -3.790
  335    HB2  PHE  60           HB2      PHE  60   3.579  13.032   0.172
  336    HB3  PHE  60           HB3      PHE  60   2.200  13.259   1.241
  337    H    LEU  61           HN       LEU  61   3.070  15.442   3.430
  338    HA   LEU  61           HA       LEU  61   0.403  16.183   3.527
  339    HG   LEU  61           HG       LEU  61   2.496  14.427   5.107
  340    HB2  LEU  61           HB2      LEU  61   2.615  16.873   5.464
  341    HB3  LEU  61           HB3      LEU  61   0.900  16.893   5.827
  342   HD11  LEU  61          HD11      LEU  61   3.178  15.192   7.264
  343   HD12  LEU  61          HD12      LEU  61   1.504  15.468   7.754
  344   HD13  LEU  61          HD13      LEU  61   2.085  13.825   7.484
  345   HD21  LEU  61          HD23      LEU  61   0.181  14.203   4.425
  346   HD22  LEU  61          HD21      LEU  61   0.471  13.222   5.862
  347   HD23  LEU  61          HD22      LEU  61  -0.365  14.765   6.007
  348    H    GLU  62           HN       GLU  62   3.145  18.063   2.693
  349    HA   GLU  62           HA       GLU  62   1.780  20.602   3.253
  350    HB2  GLU  62           HB2      GLU  62   4.646  20.316   2.391
  351    HB3  GLU  62           HB3      GLU  62   3.896  21.620   3.299
  352    HG2  GLU  62           HG2      GLU  62   3.557  19.961   5.165
  353    HG3  GLU  62           HG3      GLU  62   4.603  18.866   4.256
  354    H    GLU  63           HN       GLU  63   2.631  18.473   0.804
  355    HA   GLU  63           HA       GLU  63   2.969  20.441  -1.334
  356    HB2  GLU  63           HB2      GLU  63   3.183  17.427  -1.288
  357    HB3  GLU  63           HB3      GLU  63   3.508  18.433  -2.692
  358    HG2  GLU  63           HG2      GLU  63   5.004  18.902  -0.158
  359    HG3  GLU  63           HG3      GLU  63   5.456  17.567  -1.220
  360    H    HIS  64           HN       HIS  64   0.650  18.320  -0.014
  361    HA   HIS  64           HA       HIS  64  -0.832  17.803  -2.369
  362    HD1  HIS  64           HD1      HIS  64  -3.836  16.519   0.964
  363    HD2  HIS  64           HD2      HIS  64  -2.531  15.619  -2.922
  364    HE1  HIS  64           HE1      HIS  64  -5.702  15.172  -0.144
  365    HB2  HIS  64           HB3      HIS  64  -0.691  16.306  -0.422
  366    HB3  HIS  64           HB2      HIS  64  -1.586  17.438   0.534
  367    HA   PRO  65           HA       PRO  65  -2.909  21.785  -2.603
  368    HB2  PRO  65           HB2      PRO  65  -4.923  20.241  -4.136
  369    HB3  PRO  65           HB3      PRO  65  -4.007  21.678  -4.597
  370    HG2  PRO  65           HG2      PRO  65  -3.410  19.286  -5.608
  371    HG3  PRO  65           HG3      PRO  65  -2.146  20.462  -5.215
  372    HD2  PRO  65           HD2      PRO  65  -3.002  18.020  -3.731
  373    HD3  PRO  65           HD3      PRO  65  -1.370  18.681  -3.968
  374    H    GLY  66           HN       GLY  66  -3.870  22.375  -0.686
  375    HA2  GLY  66           HA1      GLY  66  -5.519  22.606   0.897
  376    HA3  GLY  66           HA2      GLY  66  -6.628  22.033  -0.342
  377    H    GLY  67           HN       GLY  67  -3.967  20.583   1.504
  378    HA2  GLY  67           HA1      GLY  67  -5.829  18.685   2.686
  379    HA3  GLY  67           HA2      GLY  67  -4.615  18.011   1.608
  380    H    GLU  68           HN       GLU  68  -5.266  18.101   4.620
  381    HA   GLU  68           HA       GLU  68  -2.739  17.451   5.565
  382    HB2  GLU  68           HB2      GLU  68  -2.252  19.881   5.370
  383    HB3  GLU  68           HB3      GLU  68  -3.626  20.233   6.411
  384    HG2  GLU  68           HG2      GLU  68  -2.501  18.842   8.180
  385    HG3  GLU  68           HG3      GLU  68  -1.081  18.810   7.140
  386    H    GLU  69           HN       GLU  69  -5.086  19.523   7.120
  387    HA   GLU  69           HA       GLU  69  -5.654  17.904   9.342
  388    HB2  GLU  69           HB2      GLU  69  -6.044  20.347   9.186
  389    HB3  GLU  69           HB3      GLU  69  -7.318  20.061   8.010
  390    HG2  GLU  69           HG2      GLU  69  -8.494  18.720   9.801
  391    HG3  GLU  69           HG3      GLU  69  -7.315  19.384  10.934
  392    H    VAL  70           HN       VAL  70  -7.376  18.390   6.293
  393    HA   VAL  70           HA       VAL  70  -9.494  16.562   7.031
  394    HB   VAL  70           HB       VAL  70 -10.369  17.052   4.729
  395   HG11  VAL  70          HG11      VAL  70 -11.008  19.369   5.257
  396   HG12  VAL  70          HG12      VAL  70 -11.175  18.285   6.638
  397   HG13  VAL  70          HG13      VAL  70  -9.803  19.390   6.543
  398   HG21  VAL  70          HG23      VAL  70  -8.308  17.582   3.582
  399   HG22  VAL  70          HG21      VAL  70  -9.373  18.985   3.544
  400   HG23  VAL  70          HG22      VAL  70  -8.015  18.939   4.669
  401    H    LEU  71           HN       LEU  71  -6.493  15.871   6.217
  402    HA   LEU  71           HA       LEU  71  -7.098  13.697   4.367
  403    HG   LEU  71           HG       LEU  71  -4.960  16.137   4.208
  404    HB2  LEU  71           HB2      LEU  71  -4.513  14.363   5.804
  405    HB3  LEU  71           HB3      LEU  71  -4.701  13.150   4.552
  406   HD11  LEU  71          HD11      LEU  71  -2.938  14.158   3.154
  407   HD12  LEU  71          HD12      LEU  71  -3.001  15.878   2.768
  408   HD13  LEU  71          HD13      LEU  71  -2.658  15.357   4.418
  409   HD21  LEU  71          HD23      LEU  71  -5.342  13.903   2.218
  410   HD22  LEU  71          HD21      LEU  71  -6.572  15.027   2.796
  411   HD23  LEU  71          HD22      LEU  71  -5.231  15.616   1.815
  412    H    ARG  72           HN       ARG  72  -6.297  14.337   7.672
  413    HA   ARG  72           HA       ARG  72  -5.542  11.915   8.682
  414    HE   ARG  72           HE       ARG  72  -3.694  13.169  13.147
  415    HB2  ARG  72           HB2      ARG  72  -5.819  14.339   9.669
  416    HB3  ARG  72           HB3      ARG  72  -7.344  13.698  10.258
  417    HG2  ARG  72           HG2      ARG  72  -6.222  12.018  11.525
  418    HG3  ARG  72           HG3      ARG  72  -4.663  12.462  10.816
  419    HD2  ARG  72           HD2      ARG  72  -4.937  14.735  11.778
  420    HD3  ARG  72           HD3      ARG  72  -6.405  14.175  12.578
  421   HH11  ARG  72          HH12      ARG  72  -7.001  13.790  14.055
  422   HH12  ARG  72          HH11      ARG  72  -6.789  13.311  15.702
  423   HH21  ARG  72          HH22      ARG  72  -3.380  12.535  15.315
  424   HH22  ARG  72          HH21      ARG  72  -4.709  12.618  16.439
  425    H    GLU  73           HN       GLU  73  -8.754  13.209   8.326
  426    HA   GLU  73           HA       GLU  73 -10.353  11.526   9.776
  427    HB2  GLU  73           HB2      GLU  73 -11.124  13.581   8.765
  428    HB3  GLU  73           HB3      GLU  73 -10.875  12.930   7.153
  429    HG2  GLU  73           HG2      GLU  73 -13.189  12.902   7.568
  430    HG3  GLU  73           HG3      GLU  73 -12.633  11.233   7.663
  431    H    GLN  74           HN       GLN  74  -9.189  11.063   6.474
  432    HA   GLN  74           HA       GLN  74 -10.668   8.526   6.283
  433    HB2  GLN  74           HB2      GLN  74  -9.373  10.227   4.139
  434    HB3  GLN  74           HB3      GLN  74 -10.273   8.747   3.847
  435    HG2  GLN  74           HG2      GLN  74 -11.405  11.263   5.049
  436    HG3  GLN  74           HG3      GLN  74 -11.581  10.776   3.362
  437   HE21  GLN  74          HE21      GLN  74 -11.872   7.932   4.098
  438   HE22  GLN  74          HE22      GLN  74 -13.473   7.771   4.727
  439    H    ALA  75           HN       ALA  75  -7.699   9.684   7.061
  440    HA   ALA  75           HA       ALA  75  -6.074   7.782   5.607
  441    HB1  ALA  75           HB3      ALA  75  -4.197   8.828   6.778
  442    HB2  ALA  75           HB1      ALA  75  -5.225  10.031   5.997
  443    HB3  ALA  75           HB2      ALA  75  -5.327   9.783   7.741
  444    H    GLY  76           HN       GLY  76  -4.586   6.345   6.729
  445    HA2  GLY  76           HA1      GLY  76  -4.012   4.844   8.412
  446    HA3  GLY  76           HA2      GLY  76  -5.312   5.493   9.410
  447    H    GLY  77           HN       GLY  77  -7.247   5.218   7.205
  448    HA2  GLY  77           HA1      GLY  77  -7.412   2.307   6.932
  449    HA3  GLY  77           HA2      GLY  77  -8.762   3.185   7.646
  450    H    ASP  78           HN       ASP  78 -10.326   3.000   6.115
  451    HA   ASP  78           HA       ASP  78  -9.781   2.867   3.358
  452    HB2  ASP  78           HB2      ASP  78 -12.425   3.513   4.673
  453    HB3  ASP  78           HB3      ASP  78 -12.198   2.965   3.018
  454    H    ALA  79           HN       ALA  79  -8.822   4.540   2.368
  455    HA   ALA  79           HA       ALA  79 -10.019   7.203   2.662
  456    HB1  ALA  79           HB3      ALA  79  -7.506   6.330   1.240
  457    HB2  ALA  79           HB1      ALA  79  -8.086   7.992   1.370
  458    HB3  ALA  79           HB2      ALA  79  -7.600   7.112   2.820
  459    H    THR  80           HN       THR  80 -10.146   4.454   0.781
  460    HA   THR  80           HA       THR  80 -10.419   5.431  -1.835
  461    HB   THR  80           HB       THR  80  -9.991   3.070  -1.279
  462    HG1  THR  80           HG1      THR  80 -12.182   3.758  -2.939
  463   HG21  THR  80          HG23      THR  80 -11.468   2.782   0.613
  464   HG22  THR  80          HG21      THR  80 -11.869   1.606  -0.635
  465   HG23  THR  80          HG22      THR  80 -12.883   3.032  -0.408
  466    H    GLU  81           HN       GLU  81 -12.467   5.727   0.820
  467    HA   GLU  81           HA       GLU  81 -15.069   5.540   0.004
  468    HB2  GLU  81           HB2      GLU  81 -14.006   6.348   2.234
  469    HB3  GLU  81           HB3      GLU  81 -14.078   7.948   1.518
  470    HG2  GLU  81           HG2      GLU  81 -16.026   7.931   2.695
  471    HG3  GLU  81           HG3      GLU  81 -16.592   7.319   1.140
  472    H    ASN  82           HN       ASN  82 -12.958   8.335  -0.381
  473    HA   ASN  82           HA       ASN  82 -14.977   9.968  -1.596
  474    HB2  ASN  82           HB2      ASN  82 -11.993  10.407  -1.353
  475    HB3  ASN  82           HB3      ASN  82 -13.184  11.639  -1.751
  476   HD21  ASN  82          HD21      ASN  82 -14.592  12.374  -0.144
  477   HD22  ASN  82          HD22      ASN  82 -14.246  12.130   1.532
  478    H    PHE  83           HN       PHE  83 -12.453   7.922  -2.709
  479    HA   PHE  83           HA       PHE  83 -11.972   9.127  -5.231
  480    HD1  PHE  83           HD1      PHE  83  -9.184   8.868  -5.791
  481    HD2  PHE  83           HD2      PHE  83 -11.270   5.228  -6.483
  482    HE1  PHE  83           HE1      PHE  83  -7.961   8.572  -7.909
  483    HE2  PHE  83           HE2      PHE  83 -10.061   4.926  -8.591
  484    HZ   PHE  83           HZ       PHE  83  -8.378   6.600  -9.299
  485    HB2  PHE  83           HB2      PHE  83 -10.370   7.656  -3.968
  486    HB3  PHE  83           HB3      PHE  83 -11.393   6.281  -4.359
  487    H    GLU  84           HN       GLU  84 -14.236   6.838  -4.007
  488    HA   GLU  84           HA       GLU  84 -14.866   5.598  -6.525
  489    HB2  GLU  84           HB2      GLU  84 -16.273   5.399  -3.854
  490    HB3  GLU  84           HB3      GLU  84 -16.505   4.337  -5.226
  491    HG2  GLU  84           HG2      GLU  84 -14.106   4.576  -3.452
  492    HG3  GLU  84           HG3      GLU  84 -15.139   3.174  -3.725
  493    H    ASP  85           HN       ASP  85 -15.973   8.248  -4.690
  494    HA   ASP  85           HA       ASP  85 -18.619   8.377  -5.871
  495    HB2  ASP  85           HB2      ASP  85 -18.301   8.983  -3.498
  496    HB3  ASP  85           HB3      ASP  85 -17.189  10.256  -3.975
  497    H    VAL  86           HN       VAL  86 -15.818  10.520  -5.652
  498    HA   VAL  86           HA       VAL  86 -15.403  10.937  -8.328
  499    HB   VAL  86           HB       VAL  86 -17.574  12.041  -8.489
  500   HG11  VAL  86          HG11      VAL  86 -18.096  14.102  -7.311
  501   HG12  VAL  86          HG12      VAL  86 -17.817  12.789  -6.167
  502   HG13  VAL  86          HG13      VAL  86 -16.569  14.005  -6.435
  503   HG21  VAL  86          HG23      VAL  86 -15.711  12.848  -9.867
  504   HG22  VAL  86          HG21      VAL  86 -16.867  14.127  -9.498
  505   HG23  VAL  86          HG22      VAL  86 -15.332  14.050  -8.633
  506    H    GLY  87           HN       GLY  87 -13.292  11.307  -8.172
  507    HA2  GLY  87           HA1      GLY  87 -12.372  13.481  -6.476
  508    HA3  GLY  87           HA2      GLY  87 -11.838  11.876  -6.016
  509    H    HIS  88           HN       HIS  88 -10.715  14.485  -7.300
  510    HA   HIS  88           HA       HIS  88  -8.707  14.899  -8.262
  511    HD1  HIS  88           HD1      HIS  88  -8.526  10.911  -6.246
  512    HD2  HIS  88           HD2      HIS  88  -6.500  14.535  -6.536
  513    HE1  HIS  88           HE1      HIS  88  -7.466  11.326  -3.960
  514    HB2  HIS  88           HB2      HIS  88  -8.557  11.891  -8.585
  515    HB3  HIS  88           HB3      HIS  88  -7.236  13.007  -8.928
  516    H    SER  89           HN       SER  89  -7.468  14.410 -10.416
  517    HA   SER  89           HA       SER  89  -9.375  13.872 -12.580
  518    HG   SER  89           HG       SER  89  -8.509  16.295 -11.351
  519    HB2  SER  89           HB2      SER  89  -6.835  15.380 -12.922
  520    HB3  SER  89           HB3      SER  89  -8.231  15.368 -13.984
  521    H    THR  90           HN       THR  90  -7.873  13.102 -14.629
  522    HA   THR  90           HA       THR  90  -6.631  10.660 -13.808
  523    HB   THR  90           HB       THR  90  -6.514  12.040 -16.505
  524    HG1  THR  90           HG1      THR  90  -8.557  11.448 -16.511
  525   HG21  THR  90          HG23      THR  90  -4.751  10.339 -16.219
  526   HG22  THR  90          HG21      THR  90  -5.964   9.839 -17.395
  527   HG23  THR  90          HG22      THR  90  -5.978   9.155 -15.769
  528    H    ASP  91           HN       ASP  91  -5.232  11.575 -12.249
  529    HA   ASP  91           HA       ASP  91  -2.561  12.093 -13.274
  530    HB2  ASP  91           HB2      ASP  91  -3.511  14.356 -13.001
  531    HB3  ASP  91           HB3      ASP  91  -3.974  13.968 -11.350
  532    H    ALA  92           HN       ALA  92  -4.518  12.135 -10.310
  533    HA   ALA  92           HA       ALA  92  -2.662  10.618  -8.762
  534    HB1  ALA  92           HB3      ALA  92  -5.601  11.144  -8.278
  535    HB2  ALA  92           HB1      ALA  92  -4.449  10.521  -7.099
  536    HB3  ALA  92           HB2      ALA  92  -4.269  12.160  -7.722
  537    H    ARG  93           HN       ARG  93  -2.685   9.277 -10.846
  538    HA   ARG  93           HA       ARG  93  -4.018   6.740 -10.387
  539    HE   ARG  93           HE       ARG  93  -3.715   5.579 -15.592
  540    HB2  ARG  93           HB2      ARG  93  -5.547   7.621 -11.957
  541    HB3  ARG  93           HB3      ARG  93  -4.298   8.541 -12.788
  542    HG2  ARG  93           HG2      ARG  93  -3.334   6.350 -13.533
  543    HG3  ARG  93           HG3      ARG  93  -4.792   5.599 -12.897
  544    HD2  ARG  93           HD2      ARG  93  -6.167   6.649 -14.488
  545    HD3  ARG  93           HD3      ARG  93  -4.934   7.848 -14.877
  546   HH11  ARG  93          HH12      ARG  93  -6.930   6.793 -16.349
  547   HH12  ARG  93          HH11      ARG  93  -6.995   5.980 -17.888
  548   HH21  ARG  93          HH22      ARG  93  -3.817   4.520 -17.591
  549   HH22  ARG  93          HH21      ARG  93  -5.239   4.668 -18.576
  550    H    GLU  94           HN       GLU  94  -1.798   8.824 -12.023
  551    HA   GLU  94           HA       GLU  94  -0.046   6.620 -12.875
  552    HB2  GLU  94           HB2      GLU  94  -0.059   9.509 -13.788
  553    HB3  GLU  94           HB3      GLU  94   0.821   8.176 -14.521
  554    HG2  GLU  94           HG2      GLU  94  -2.175   8.226 -14.393
  555    HG3  GLU  94           HG3      GLU  94  -1.277   9.000 -15.697
  556    H    MET  95           HN       MET  95  -0.404   9.534 -11.085
  557    HA   MET  95           HA       MET  95   2.380   9.987 -10.523
  558    HB2  MET  95           HB2      MET  95   0.654  11.793 -10.825
  559    HB3  MET  95           HB3      MET  95  -0.076  11.266  -9.314
  560    HG2  MET  95           HG2      MET  95   1.266  13.190  -8.914
  561    HG3  MET  95           HG3      MET  95   2.018  11.792  -8.148
  562    HE1  MET  95           HE3      MET  95   5.069  14.010  -9.201
  563    HE2  MET  95           HE1      MET  95   3.503  14.506  -8.559
  564    HE3  MET  95           HE2      MET  95   4.327  13.102  -7.883
  565    H    SER  96           HN       SER  96  -0.326   8.390  -9.029
  566    HA   SER  96           HA       SER  96   0.602   8.812  -6.357
  567    HG   SER  96           HG       SER  96  -2.564   6.488  -7.170
  568    HB2  SER  96           HB2      SER  96  -1.393   7.507  -5.709
  569    HB3  SER  96           HB3      SER  96  -1.756   8.864  -6.771
  570    H    LYS  97           HN       LYS  97   1.519   6.834  -8.702
  571    HA   LYS  97           HA       LYS  97   1.290   4.200  -7.877
  572    HB2  LYS  97           HB2      LYS  97   3.370   5.507  -9.640
  573    HB3  LYS  97           HB3      LYS  97   3.102   3.771  -9.530
  574    HG2  LYS  97           HG2      LYS  97   0.804   5.526 -10.217
  575    HG3  LYS  97           HG3      LYS  97   2.025   5.201 -11.446
  576    HD2  LYS  97           HD2      LYS  97   0.624   3.039  -9.882
  577    HD3  LYS  97           HD3      LYS  97   0.055   3.636 -11.444
  578    HE2  LYS  97           HE2      LYS  97   2.215   3.026 -12.445
  579    HE3  LYS  97           HE3      LYS  97   2.745   2.386 -10.892
  580    HZ1  LYS  97           HZ3      LYS  97   1.018   0.742 -10.981
  581    HZ2  LYS  97           HZ1      LYS  97   1.924   0.657 -12.408
  582    HZ3  LYS  97           HZ2      LYS  97   0.397   1.392 -12.415
  583    H    THR  98           HN       THR  98   3.693   6.579  -7.095
  584    HA   THR  98           HA       THR  98   5.566   4.658  -6.029
  585    HB   THR  98           HB       THR  98   6.849   6.760  -5.406
  586    HG1  THR  98           HG1      THR  98   5.876   8.540  -6.931
  587   HG21  THR  98          HG23      THR  98   6.079   6.403  -8.305
  588   HG22  THR  98          HG21      THR  98   7.311   5.480  -7.445
  589   HG23  THR  98          HG22      THR  98   7.531   7.210  -7.712
  590    H    PHE  99           HN       PHE  99   2.798   6.054  -4.913
  591    HA   PHE  99           HA       PHE  99   3.702   6.309  -2.144
  592    HD1  PHE  99           HD1      PHE  99   2.999   8.792  -0.991
  593    HD2  PHE  99           HD2      PHE  99   1.716   8.509  -5.034
  594    HE1  PHE  99           HE1      PHE  99   3.831  11.075  -1.405
  595    HE2  PHE  99           HE2      PHE  99   2.538  10.782  -5.462
  596    HZ   PHE  99           HZ       PHE  99   3.593  12.076  -3.654
  597    HB2  PHE  99           HB2      PHE  99   1.031   6.890  -3.447
  598    HB3  PHE  99           HB3      PHE  99   1.366   7.095  -1.729
  599    H    ILE 100           HN       ILE 100   2.250   4.077  -4.268
  600    HA   ILE 100           HA       ILE 100   0.677   2.662  -2.346
  601    HB   ILE 100           HB       ILE 100   1.696   1.430  -4.900
  602   HG12  ILE 100          HG12      ILE 100  -0.700   3.248  -4.578
  603   HG13  ILE 100          HG13      ILE 100   0.766   3.628  -5.468
  604   HG21  ILE 100          HG21      ILE 100  -0.456   0.237  -4.774
  605   HG22  ILE 100          HG22      ILE 100   0.582  -0.061  -3.380
  606   HG23  ILE 100          HG23      ILE 100  -0.783   1.045  -3.242
  607   HD11  ILE 100          HD13      ILE 100  -0.995   3.005  -6.987
  608   HD12  ILE 100          HD11      ILE 100   0.290   1.799  -7.021
  609   HD13  ILE 100          HD12      ILE 100  -1.207   1.464  -6.151
  610    H    ILE 101           HN       ILE 101   2.217   2.279  -0.643
  611    HA   ILE 101           HA       ILE 101   4.777   1.162  -1.198
  612    HB   ILE 101           HB       ILE 101   4.949   0.949   1.307
  613   HG12  ILE 101          HG12      ILE 101   2.274   2.374   1.231
  614   HG13  ILE 101          HG13      ILE 101   2.518   0.710   1.743
  615   HG21  ILE 101          HG21      ILE 101   5.064   3.395   1.654
  616   HG22  ILE 101          HG22      ILE 101   5.815   2.882   0.145
  617   HG23  ILE 101          HG23      ILE 101   4.215   3.621   0.126
  618   HD11  ILE 101          HD13      ILE 101   3.900   1.471   3.587
  619   HD12  ILE 101          HD11      ILE 101   3.676   3.143   3.077
  620   HD13  ILE 101          HD12      ILE 101   2.296   2.201   3.641
  621    H    GLY 102           HN       GLY 102   1.686  -0.215  -0.306
  622    HA2  GLY 102           HA1      GLY 102   2.512  -2.827  -0.964
  623    HA3  GLY 102           HA2      GLY 102   2.538  -2.636   0.783
  624    H    GLU 103           HN       GLU 103   0.887  -4.377   0.593
  625    HA   GLU 103           HA       GLU 103  -1.760  -3.158   0.186
  626    HB2  GLU 103           HB2      GLU 103  -0.994  -6.038  -0.325
  627    HB3  GLU 103           HB3      GLU 103  -2.619  -5.375  -0.451
  628    HG2  GLU 103           HG2      GLU 103  -1.728  -3.792  -2.182
  629    HG3  GLU 103           HG3      GLU 103  -0.235  -4.725  -2.155
  630    H    LEU 104           HN       LEU 104  -3.268  -5.259   1.240
  631    HA   LEU 104           HA       LEU 104  -2.646  -4.844   4.069
  632    HG   LEU 104           HG       LEU 104  -4.771  -3.377   2.208
  633    HB2  LEU 104           HB2      LEU 104  -5.203  -5.728   2.767
  634    HB3  LEU 104           HB3      LEU 104  -4.984  -5.371   4.467
  635   HD11  LEU 104          HD11      LEU 104  -6.853  -3.697   4.368
  636   HD12  LEU 104          HD12      LEU 104  -6.815  -2.436   3.134
  637   HD13  LEU 104          HD13      LEU 104  -7.063  -4.122   2.671
  638   HD21  LEU 104          HD23      LEU 104  -4.623  -1.708   4.005
  639   HD22  LEU 104          HD21      LEU 104  -4.537  -3.011   5.191
  640   HD23  LEU 104          HD22      LEU 104  -3.251  -2.814   4.005
  641    H    HIS 105           HN       HIS 105  -3.170  -6.605   5.590
  642    HA   HIS 105           HA       HIS 105  -1.964  -9.061   4.854
  643    HD1  HIS 105           HD1      HIS 105  -1.420 -10.386   8.717
  644    HD2  HIS 105           HD2      HIS 105  -0.330  -7.190   6.302
  645    HE1  HIS 105           HE1      HIS 105   1.003  -9.946   9.239
  646    HE2  HIS 105           HE2      HIS 105   1.562  -7.852   7.941
  647    HB2  HIS 105           HB2      HIS 105  -3.287  -7.967   7.274
  648    HB3  HIS 105           HB3      HIS 105  -3.240  -9.721   7.140
  649    HA   PRO 106           HA       PRO 106  -4.818 -11.888   3.055
  650    HB2  PRO 106           HB2      PRO 106  -5.076 -13.291   5.645
  651    HB3  PRO 106           HB3      PRO 106  -4.589 -13.912   4.071
  652    HG2  PRO 106           HG2      PRO 106  -2.908 -13.174   6.223
  653    HG3  PRO 106           HG3      PRO 106  -2.415 -13.653   4.594
  654    HD2  PRO 106           HD2      PRO 106  -2.093 -11.126   5.744
  655    HD3  PRO 106           HD3      PRO 106  -1.951 -11.511   4.019
  656    H    ASP 107           HN       ASP 107  -5.720 -10.770   6.274
  657    HA   ASP 107           HA       ASP 107  -8.480 -11.551   6.057
  658    HB2  ASP 107           HB2      ASP 107  -7.105 -11.476   8.205
  659    HB3  ASP 107           HB3      ASP 107  -7.207  -9.723   8.108
  660    H    ASP 108           HN       ASP 108  -6.593  -8.620   6.155
  661    HA   ASP 108           HA       ASP 108  -8.776  -6.799   5.813
  662    HB2  ASP 108           HB2      ASP 108  -5.796  -6.392   5.507
  663    HB3  ASP 108           HB3      ASP 108  -6.997  -5.106   5.601
  664    H    ARG 109           HN       ARG 109  -6.850  -8.676   3.776
  665    HA   ARG 109           HA       ARG 109  -6.349  -6.884   1.672
  666    HE   ARG 109           HE       ARG 109  -4.113 -10.810  -1.134
  667    HB2  ARG 109           HB2      ARG 109  -5.110  -9.003   2.241
  668    HB3  ARG 109           HB3      ARG 109  -6.417  -9.893   1.477
  669    HG2  ARG 109           HG2      ARG 109  -5.238  -7.761  -0.160
  670    HG3  ARG 109           HG3      ARG 109  -4.154  -9.096   0.237
  671    HD2  ARG 109           HD2      ARG 109  -6.550 -10.313  -0.451
  672    HD3  ARG 109           HD3      ARG 109  -6.371  -9.003  -1.617
  673   HH11  ARG 109          HH12      ARG 109  -6.597  -9.630  -3.297
  674   HH12  ARG 109          HH11      ARG 109  -5.938 -10.432  -4.682
  675   HH21  ARG 109          HH22      ARG 109  -3.253 -11.858  -2.920
  676   HH22  ARG 109          HH21      ARG 109  -4.034 -11.733  -4.467
  677    HA   PRO 110           HA       PRO 110 -10.359  -8.278  -0.341
  678    HB2  PRO 110           HB2      PRO 110 -11.852 -10.211   1.072
  679    HB3  PRO 110           HB3      PRO 110 -10.945 -10.464  -0.424
  680    HG2  PRO 110           HG2      PRO 110 -10.351 -11.574   2.086
  681    HG3  PRO 110           HG3      PRO 110  -9.284 -11.552   0.676
  682    HD2  PRO 110           HD2      PRO 110  -9.298  -9.799   3.078
  683    HD3  PRO 110           HD3      PRO 110  -7.933 -10.331   2.073
  684    H    LYS 111           HN       LYS 111 -10.597  -8.673   3.176
  685    HA   LYS 111           HA       LYS 111 -12.132  -8.028   4.703
  686    HB2  LYS 111           HB2      LYS 111 -10.433  -6.086   3.973
  687    HB3  LYS 111           HB3      LYS 111 -11.969  -5.257   3.726
  688    HG2  LYS 111           HG2      LYS 111 -11.051  -4.913   5.966
  689    HG3  LYS 111           HG3      LYS 111 -12.618  -5.719   5.987
  690    HD2  LYS 111           HD2      LYS 111 -11.524  -7.871   6.297
  691    HD3  LYS 111           HD3      LYS 111  -9.946  -7.086   6.238
  692    HE2  LYS 111           HE2      LYS 111 -12.072  -6.510   8.298
  693    HE3  LYS 111           HE3      LYS 111 -10.714  -7.612   8.540
  694    HZ1  LYS 111           HZ3      LYS 111 -10.311  -5.406   9.470
  695    HZ2  LYS 111           HZ1      LYS 111 -10.467  -4.717   7.926
  696    HZ3  LYS 111           HZ2      LYS 111  -9.188  -5.790   8.257
  697    H    LEU 112           HN       LEU 112 -13.040  -5.489   2.492
  698    HA   LEU 112           HA       LEU 112 -15.781  -5.576   2.980
  699    HG   LEU 112           HG       LEU 112 -16.670  -4.691   0.091
  700    HB2  LEU 112           HB2      LEU 112 -14.638  -3.637   2.062
  701    HB3  LEU 112           HB3      LEU 112 -14.240  -4.528   0.606
  702   HD11  LEU 112          HD11      LEU 112 -16.951  -2.759   2.391
  703   HD12  LEU 112          HD12      LEU 112 -18.231  -3.253   1.285
  704   HD13  LEU 112          HD13      LEU 112 -17.512  -4.432   2.385
  705   HD21  LEU 112          HD23      LEU 112 -15.296  -2.962  -0.942
  706   HD22  LEU 112          HD21      LEU 112 -16.917  -2.350  -0.604
  707   HD23  LEU 112          HD22      LEU 112 -15.567  -1.900   0.438
  708    H    ASN 113           HN       ASN 113 -13.806  -7.217   0.605
  709    HA   ASN 113           HA       ASN 113 -16.103  -8.072  -0.978
  710    HB2  ASN 113           HB2      ASN 113 -13.922  -7.228  -1.955
  711    HB3  ASN 113           HB3      ASN 113 -13.185  -8.730  -1.412
  712   HD21  ASN 113          HD21      ASN 113 -13.778 -10.680  -2.439
  713   HD22  ASN 113          HD22      ASN 113 -14.557 -10.688  -3.978
  714    H    LYS 114           HN       LYS 114 -14.038  -9.260   1.490
  715    HA   LYS 114           HA       LYS 114 -15.597 -11.702   1.591
  716    HB2  LYS 114           HB2      LYS 114 -13.613 -12.389   0.311
  717    HB3  LYS 114           HB3      LYS 114 -12.567 -11.774   1.586
  718    HG2  LYS 114           HG2      LYS 114 -13.733 -13.403   3.134
  719    HG3  LYS 114           HG3      LYS 114 -14.446 -14.119   1.689
  720    HD2  LYS 114           HD2      LYS 114 -12.237 -14.620   0.819
  721    HD3  LYS 114           HD3      LYS 114 -11.491 -13.819   2.203
  722    HE2  LYS 114           HE2      LYS 114 -11.472 -16.227   2.513
  723    HE3  LYS 114           HE3      LYS 114 -12.524 -15.461   3.703
  724    HZ1  LYS 114           HZ3      LYS 114 -14.374 -15.998   2.035
  725    HZ2  LYS 114           HZ1      LYS 114 -13.738 -17.276   2.950
  726    HZ3  LYS 114           HZ2      LYS 114 -13.264 -17.065   1.336
  727    HA   PRO 115           HA       PRO 115 -15.075  -9.549   5.558
  728    HB2  PRO 115           HB2      PRO 115 -17.534 -10.126   6.515
  729    HB3  PRO 115           HB3      PRO 115 -17.246  -8.832   5.347
  730    HG2  PRO 115           HG2      PRO 115 -18.246 -11.614   4.874
  731    HG3  PRO 115           HG3      PRO 115 -18.824 -10.086   4.188
  732    HD2  PRO 115           HD2      PRO 115 -17.169 -11.783   2.850
  733    HD3  PRO 115           HD3      PRO 115 -17.162 -10.024   2.604
  734    HA   PRO 116           HA       PRO 116 -13.868 -13.125   8.003
  735    HB2  PRO 116           HB2      PRO 116 -13.788 -11.666  10.376
  736    HB3  PRO 116           HB3      PRO 116 -12.439 -11.838   9.250
  737    HG2  PRO 116           HG2      PRO 116 -14.411  -9.606   9.520
  738    HG3  PRO 116           HG3      PRO 116 -12.668  -9.525   9.206
  739    HD2  PRO 116           HD2      PRO 116 -14.439  -9.174   7.245
  740    HD3  PRO 116           HD3      PRO 116 -12.929 -10.064   6.959
  741    H    GLU 117           HN       GLU 117 -16.443 -10.860   8.713
  742    HA   GLU 117           HA       GLU 117 -18.320 -12.904   9.255
  743    HB2  GLU 117           HB2      GLU 117 -17.037 -12.866  11.416
  744    HB3  GLU 117           HB3      GLU 117 -17.546 -11.198  11.632
  745    HG2  GLU 117           HG2      GLU 117 -19.854 -11.873  11.775
  746    HG3  GLU 117           HG3      GLU 117 -19.416 -13.545  11.415
  747    H    THR 118           HN       THR 118 -20.443 -11.820  10.076
  748    HA   THR 118           HA       THR 118 -21.083  -9.623   8.408
  749    HB   THR 118           HB       THR 118 -23.211  -9.593   9.835
  750    HG1  THR 118           HG1      THR 118 -22.019 -10.727  11.621
  751   HG21  THR 118          HG23      THR 118 -23.066 -10.755   7.682
  752   HG22  THR 118          HG21      THR 118 -24.040 -11.672   8.832
  753   HG23  THR 118          HG22      THR 118 -22.382 -12.166   8.488
  754    H    LEU 119           HN       LEU 119 -21.314  -7.446   8.866
  755    HA   LEU 119           HA       LEU 119 -20.365  -6.578  11.507
  756    HG   LEU 119           HG       LEU 119 -18.451  -6.503   9.275
  757    HB2  LEU 119           HB2      LEU 119 -20.495  -5.119   8.869
  758    HB3  LEU 119           HB3      LEU 119 -20.193  -4.301  10.391
  759   HD11  LEU 119          HD11      LEU 119 -16.838  -4.697   8.819
  760   HD12  LEU 119          HD12      LEU 119 -18.310  -4.549   7.857
  761   HD13  LEU 119          HD13      LEU 119 -18.068  -3.513   9.263
  762   HD21  LEU 119          HD23      LEU 119 -18.349  -6.391  11.679
  763   HD22  LEU 119          HD21      LEU 119 -16.871  -5.706  11.005
  764   HD23  LEU 119          HD22      LEU 119 -18.134  -4.642  11.626
  765    H    ILE 120           HN       ILE 120 -22.248  -4.437   9.511
  766    HA   ILE 120           HA       ILE 120 -24.642  -4.858  11.060
  767    HB   ILE 120           HB       ILE 120 -24.636  -2.283  11.567
  768   HG12  ILE 120          HG12      ILE 120 -22.309  -1.631  12.402
  769   HG13  ILE 120          HG13      ILE 120 -21.692  -2.943  11.409
  770   HG21  ILE 120          HG21      ILE 120 -23.204  -4.349  13.217
  771   HG22  ILE 120          HG22      ILE 120 -23.752  -2.787  13.827
  772   HG23  ILE 120          HG23      ILE 120 -24.924  -3.967  13.240
  773   HD11  ILE 120          HD13      ILE 120 -22.643  -1.866   9.423
  774   HD12  ILE 120          HD11      ILE 120 -23.209  -0.530  10.428
  775   HD13  ILE 120          HD12      ILE 120 -21.480  -0.835  10.254
  776    H    THR 121           HN       THR 121 -25.785  -2.328  10.550
  777    HA   THR 121           HA       THR 121 -27.022  -2.837   8.121
  778    HB   THR 121           HB       THR 121 -26.888  -0.051   9.242
  779    HG1  THR 121           HG1      THR 121 -27.894  -0.660  11.048
  780   HG21  THR 121          HG23      THR 121 -28.295  -0.445   7.291
  781   HG22  THR 121          HG21      THR 121 -29.285  -0.082   8.708
  782   HG23  THR 121          HG22      THR 121 -29.134  -1.746   8.138
  783    H    THR 122           HN       THR 122 -26.863  -1.952   6.062
  784    HA   THR 122           HA       THR 122 -24.597  -0.145   5.575
  785    HB   THR 122           HB       THR 122 -24.207  -2.441   4.623
  786    HG1  THR 122           HG1      THR 122 -23.116  -0.806   3.611
  787   HG21  THR 122          HG23      THR 122 -26.495  -3.014   4.003
  788   HG22  THR 122          HG21      THR 122 -25.441  -3.067   2.585
  789   HG23  THR 122          HG22      THR 122 -26.521  -1.694   2.831
  790    H    ILE 123           HN       ILE 123 -24.980   1.543   4.086
  791    HA   ILE 123           HA       ILE 123 -27.784   1.897   3.271
  792    HB   ILE 123           HB       ILE 123 -26.122   4.155   4.411
  793   HG12  ILE 123          HG12      ILE 123 -27.967   4.027   6.268
  794   HG13  ILE 123          HG13      ILE 123 -28.087   2.342   5.772
  795   HG21  ILE 123          HG21      ILE 123 -28.230   5.384   4.419
  796   HG22  ILE 123          HG22      ILE 123 -27.808   4.834   2.799
  797   HG23  ILE 123          HG23      ILE 123 -29.053   3.990   3.723
  798   HD11  ILE 123          HD13      ILE 123 -26.601   2.687   7.696
  799   HD12  ILE 123          HD11      ILE 123 -25.770   1.982   6.312
  800   HD13  ILE 123          HD12      ILE 123 -25.563   3.694   6.687
  801    H    ASP 124           HN       ASP 124 -27.995   2.666   1.212
  802    HA   ASP 124           HA       ASP 124 -25.934   2.919  -0.616
  803    HB2  ASP 124           HB2      ASP 124 -28.578   4.408  -0.568
  804    HB3  ASP 124           HB3      ASP 124 -27.522   4.286  -1.969
  805    H    SER 125           HN       SER 125 -27.741   5.591   0.776
  806    HA   SER 125           HA       SER 125 -25.383   7.061   1.511
  807    HG   SER 125           HG       SER 125 -25.037   6.791  -0.848
  808    HB2  SER 125           HB2      SER 125 -27.276   8.185  -0.583
  809    HB3  SER 125           HB3      SER 125 -25.994   9.089   0.218
  810    H    SER 126           HN       SER 126 -28.822   7.541   0.776
  811    HA   SER 126           HA       SER 126 -29.731   7.206   3.387
  812    HG   SER 126           HG       SER 126 -31.293  10.052   3.855
  813    HB2  SER 126           HB2      SER 126 -28.588   9.368   3.827
  814    HB3  SER 126           HB3      SER 126 -29.578  10.122   2.578
  815    H    SER 127           HN       SER 127 -30.890   9.892   1.478
  816    HA   SER 127           HA       SER 127 -33.122   8.234   0.545
  817    HG   SER 127           HG       SER 127 -33.446  11.499   2.683
  818    HB2  SER 127           HB2      SER 127 -33.987  10.852   0.403
  819    HB3  SER 127           HB3      SER 127 -34.350   9.740   1.724
  820    H    SER 128           HN       SER 128 -31.364   7.818  -1.115
  821    HA   SER 128           HA       SER 128 -31.255   9.942  -3.135
  822    HG   SER 128           HG       SER 128 -29.642   6.640  -2.724
  823    HB2  SER 128           HB2      SER 128 -29.327   8.434  -4.009
  824    HB3  SER 128           HB3      SER 128 -29.052   9.407  -2.564
  825    HHA  HEM 129           HHA      HEM 129  -5.728  17.957  -5.599
  826    HHB  HEM 129           HHB      HEM 129  -1.830  12.792  -5.672
  827    HHC  HEM 129           HHC      HEM 129  -5.189  10.240  -0.858
  828    HHD  HEM 129           HHD      HEM 129  -9.211  15.299  -0.879
  829    HAB  HEM 129           HAB      HEM 129  -2.433   9.289  -0.899
  830    HAC  HEM 129           HAC      HEM 129 -10.309  13.415   0.354
  831   HMA1  HEM 129          HMA1      HEM 129  -1.460  15.971  -7.952
  832   HMA2  HEM 129          HMA2      HEM 129  -0.694  15.162  -6.584
  833   HMA3  HEM 129          HMA3      HEM 129  -1.565  14.220  -7.803
  834   HAA1  HEM 129          HAA1      HEM 129  -3.199  18.001  -7.746
  835   HAA2  HEM 129          HAA2      HEM 129  -3.437  16.646  -8.335
  836   HBA1  HEM 129          HBA1      HEM 129  -5.326  18.209  -9.013
  837   HBA2  HEM 129          HBA2      HEM 129  -6.075  16.885  -8.101
  838   HMB1  HEM 129          HMB1      HEM 129  -0.154  10.932  -3.733
  839   HMB2  HEM 129          HMB2      HEM 129  -1.131   9.971  -5.024
  840   HMB3  HEM 129          HMB3      HEM 129  -1.087   9.790  -3.510
  841   HBB1  HEM 129          HBB1      HEM 129  -3.712   8.057  -3.377
  842   HBB2  HEM 129          HBB2      HEM 129  -2.880   7.184  -1.947
  843   HMC1  HEM 129          HMC1      HEM 129  -6.858  10.416   1.452
  844   HMC2  HEM 129          HMC2      HEM 129  -8.530  10.283   0.894
  845   HMC3  HEM 129          HMC3      HEM 129  -7.169   9.589  -0.057
  846   HBC1  HEM 129          HBC1      HEM 129 -10.381  12.731   2.617
  847   HBC2  HEM 129          HBC2      HEM 129  -8.598  12.230   2.591
  848   HMD1  HEM 129          HMD1      HEM 129  -9.734  17.443  -0.866
  849   HMD2  HEM 129          HMD2      HEM 129  -9.876  18.826  -2.123
  850   HMD3  HEM 129          HMD3      HEM 129  -8.662  18.418  -1.322
  851   HAD1  HEM 129          HAD1      HEM 129  -8.189  19.865  -3.975
  852   HAD2  HEM 129          HAD2      HEM 129  -7.055  19.177  -4.645
  853   HBD1  HEM 129          HBD1      HEM 129  -7.463  18.329  -6.494
  854   HBD2  HEM 129          HBD2      HEM 129  -8.024  20.017  -6.403